# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T13:44:55+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 43 21 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1100099","7.454","0.001","7.454","0.001","12.885","0.002","90","","90","","90","","715.9","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Trimagnesium bis(sulfate(VI)) dihydroxide","","- H2 Mg3 O10 S2 -","- H3 Mg3 O10 S2 -","- H12 Mg12 O40 S8 -","4","0.5","","Fleet, M. E.; Knipe, S. W.","Structure of magnesium hydroxide sulfate (2(Mg S O4) . (Mg (O H)2)) and solid solution in magnesium hydroxide sulfate hydrate and caminite","Acta Crystallographica B (39,1983-)","1997","53","3","358","363","10.1107/S0108768197000104","","","","","","","","","","","","","","","","","","","","","has coordinates","188424","2020-10-21","18:00:00",""
"1100162","10.7634","0.0009","10.7634","0.0009","16.442","0.003","90","","90","","90","","1904.8","0.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H22 N4 O6 Zn -","- C14 H22 N4 O6 Zn -","- C56 H88 N16 O24 Zn4 -","4","0.5","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.0369","0.0326","","","0.0809","0.0828","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100862","8.084","0.0003","8.084","0.0003","20.631","0.0015","90","","90","","90","","1348.26","0.12","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C11 H20 Au Cl N2 -","- C11 H20 Au Cl N2 -","- C44 H80 Au4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0206","0.0201","","","0.0494","0.0497","","","","","","1.155","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1501566","9.7778","0.0002","9.7778","0.0002","14.0111","0.0005","90","","90","","90","","1339.54","0.06","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 43 21 2","P 4nw 2abw","96","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","0.5","","Hung Dang; Thierry Maris; Ji-Hyun Yi; Federico Rosei; Antonio Nancy; James D. Wuest","Ensuring Homology between 2D and 3D Molecular Crystals","Langmuir","2007","23","","11980","11985","10.1021/la702885y","","","1.54178","CuKα","","0.0564","0.0548","","","0.1349","0.1351","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502430","11.0581","0.0005","11.0581","0.0005","20.481","0.004","90","","90","","90","","2504.4","0.5","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Oxaazapine","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C112 H144 N16 O16 -","8","1","","Pandey, Ganesh; C, Prasanna Kumara","Iminium ion cascade reaction in the total synthesis of (+)-vincadifformine.","Organic letters","2011","13","17","4672","4675","10.1021/ol201892j","","","0.71073","MoKα","","0.0335","0.0309","","","0.0815","0.0841","","","","","","1.081","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503251","10.5907","0.0004","10.5907","0.0004","23.7251","0.001","90","","90","","90","","2661.08","0.18","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C33 H40 Au Cl N2 -","- C33 H40 Au Cl N2 -","- C132 H160 Au4 Cl4 N8 -","4","0.5","","Seo, Hwimin; Roberts, Benjamin P.; Abboud, Khalil A.; Merz, Jr, Kenneth M; Hong, Sukwon","Novel acyclic diaminocarbene ligands with increased steric demand and their application in gold catalysis.","Organic letters","2010","12","21","4860","4863","10.1021/ol102018z","","","0.71073","MoKα","","0.0118","0.0112","","","0.0282","0.0283","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503341","11.196","0.001","11.196","0.001","40.747","0.001","90","","90","","90","","5107.7","0.7","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","Psidial A","7,9-dihydroxy-2,2,4a- trimethyl-13-methylene-10-phenyl-1,2,2a,3,4,4a,10, 10a,11,12,13,13a-dodecahydrocyclobuta[6,7] cyclonona[b]chromene-6,8-dicarbaldehyde","","- C30 H34 O5 -","- C30 H34 O5 -","- C240 H272 O40 -","8","1","","Fu, Hui-Zheng; Luo, Yong-Ming; Li, Chuang-Jun; Yang, Jing-Zhi; Zhang, Dong-Ming","Psidials A-C, three unusual meroterpenoids from the leaves of Psidium guajava L.","Organic letters","2010","12","4","656","659","10.1021/ol9024869","","","0.71073","MoKα","","0.0672","0.0473","","","0.114","0.1251","","","","","","1.024","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504069","15.0588","0.0013","15.0588","0.0013","15.827","0.0016","90","","90","","90","","3589","0.6","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C34 H36 F6 Mn N4 O6 S2 -","- C34 H36 F6 Mn N4 O6 S2 -","- C136 H144 F24 Mn4 N16 O24 S8 -","4","0.5","","Wu, Mei; Wang, Bin; Wang, Shoufeng; Xia, Chungu; Sun, Wei","Asymmetric epoxidation of olefins with chiral bioinspired manganese complexes.","Organic letters","2009","11","16","3622","3625","10.1021/ol901400m","","","0.71073","MoKα","","0.0643","0.0374","","","0.0737","0.0899","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504571","6.7025","0.0003","6.7025","0.0003","59.243","0.006","90","","90","","90","","2661.4","0.3","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C15 H16 Br N O -","- C15 H16 Br N O -","- C120 H128 Br8 N8 O8 -","8","1","","Lee, Ernest E.; Rovis, Tomislav","Enantioselective synthesis of indolizidines bearing quaternary substituted stereocenters via rhodium-catalyzed [2+2+2] cycloaddition of alkenyl isocyanates and terminal alkynes.","Organic letters","2008","10","6","1231","1234","10.1021/ol800086s","","","0.71073","MoKα","","0.0624","0.043","","","0.0823","0.0891","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505304","13.3076","0.0006","13.3076","0.0006","27.1044","0.0015","90","","90","","90","","4800","0.4","93.1","","","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C48 H42 F12 N4 O4 S2 Zn -","- C48 H42 F12 N4 O4 S2 Zn -","- C192 H168 F48 N16 O16 S8 Zn4 -","4","0.5","","Honjo, Takashi; Nakao, Michiyasu; Sano, Shigeki; Shiro, Motoo; Yamaguchi, Kentaro; Sei, Yoshihisa; Nagao, Yoshimitsu","Nonenzymatic enantioselective monoacetylation of prochiral 2-protectedamino-2-alkyl-1,3-propanediols utilizing a chiral sulfonamide-Zn complex catalyst.","Organic letters","2007","9","3","509","512","10.1021/ol063063g","","","1.54178","CuKα","","","0.0515","","","","0.1081","","","","","","1.092","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505560","15.0309","0.0004","15.0309","0.0004","37.985","0.002","90","","90","","90","","8581.9","0.6","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C46 H54 N2 O7 S2 -","- C46 H54 N2 O7 S2 -","- C368 H432 N16 O56 S16 -","8","1","","Harmata, Michael; Chen, Yugang; Barnes, Charles L.","Benzothiazines in organic synthesis. Stereoselectivity in the intermolecular Michael addition reactions of benzothiazines.","Organic letters","2007","9","23","4701","4704","10.1021/ol701863y","","","0.71073","MoKα","","0.1551","0.0926","","","0.1473","0.1657","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505605","9.5921","0.0001","9.5921","0.0001","55.2591","0.0014","90","","90","","90","","5084.3","0.15","123","2","123","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","06222","","","- C27 H36 O5 Si -","- C27 H36 O5 Si -","- C216 H288 O40 Si8 -","8","1","","Figueroa, Ruth; Hsung, Richard P.; Guevarra, Christle C.","An enantioselective total synthesis of (+)-aigialospirol.","Organic letters","2007","9","23","4857","4859","10.1021/ol702195w","","","0.71073","MoKα","","0.0418","0.04","","","0.0951","0.096","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506034","18.3708","0.0007","18.3708","0.0007","19.8745","0.0015","90","","90","","90","","6707.4","0.6","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","NS 1 pentyl calixarene + acetonitrile","","- C78 H85 N7 O8 -","- C78 H85 N7 O8 -","- C312 H340 N28 O32 -","4","0.5","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.0744","0.0514","","","0.1234","0.1353","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507167","27.1653","0.0001","27.1653","0.0001","37.9051","0.0004","90","","90","","90","","27972.2","0.3","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C144 H247 O126 Rb5 -","- C144 H240 O126 Rb5 -","- C576 H960 O504 Rb20 -","4","0.5","","Gassensmith, Jeremiah J.; Smaldone, Ronald A.; Forgan, Ross S.; Wilmer, Christopher E.; Cordes, David B.; Botros, Youssry Y.; Slawin, Alexandra M. Z.; Snurr, Randall Q.; Stoddart, J. Fraser","Polyporous Metal-Coordination Frameworks.","Organic letters","2012","14","6","1460","1463","10.1021/ol300199a","","","0.71073","MoKα","","0.1083","0.0902","","","0.2447","0.2554","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507377","8.475","0.001","8.475","0.001","27.185","0.001","90","","90","","90","","1952.6","0.3","296.2","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H20 N2 O4 S2 -","- C20 H20 N2 O4 S2 -","- C80 H80 N8 O16 S8 -","4","0.5","","Azumaya, Isao; Kato, Takako; Okamoto, Iwao; Yamasaki, Ryu; Tanatani, Aya; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Takayanagi, Hiroaki","Absolute helical arrangement of sulfonamide in the crystal.","Organic letters","2003","5","21","3939","3942","10.1021/ol035509o","","","1.5418","CuKα","","","0.0446","","","","0.062","","","","","","1.186","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507941","16.4998","0.0006","16.4998","0.0006","27.6279","0.0009","90","","90","","90","","7521.5","0.5","153.1","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C35 H50 O10 Si2 -","- C35.995 H37 O9 Si2 -","- C287.96 H296 O72 Si16 -","8","1","","Tanino, Keiji; Takahashi, Motomasa; Tomata, Yoshihide; Tokura, Hiroshi; Uehara, Taketo; Narabu, Takashi; Miyashita, Masaaki","Total synthesis of solanoeclepin A.","Nature chemistry","2011","3","6","484","488","10.1038/nchem.1044","","","0.71075","MoKα","","","0.0623","","","","0.1441","","","","","","0.866","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507957","10.018","0.0003","10.018","0.0003","66.931","0.004","90","","90","","90","","6717.2","0.5","142","","142","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C33 H47 Br O6 Si -","- C33 H47 Br O6 Si -","- C264 H376 Br8 O48 Si8 -","8","1","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","0.71073","MoKα","","0.094","0.0498","","","0.0918","0.0993","","","","","","0.893","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508626","10.0277","0.0002","10.0277","0.0002","61.0217","0.0012","90","","90","","90","","6136","0.2","133","2","133","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C34 H30 Br N3 O6 S -","- C34 H30 Br N3 O6 S -","- C272 H240 Br8 N24 O48 S8 -","8","1","","Cai, Quan; Liu, Chuan; Liang, Xiao-Wei; You, Shu-Li","Enantioselective construction of pyrroloindolines via chiral phosphoric acid catalyzed cascade Michael addition-cyclization of tryptamines.","Organic letters","2012","14","17","4588","4590","10.1021/ol302043s","","","1.54178","CuKα","","0.0291","0.0286","","","0.0714","0.0717","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508726","8.966","0.002","8.966","0.002","53.26","0.02","90","","90","","90","","4282","2","298","2","298","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C48 H54 O6 -","- C48 H54 O6 -","- C192 H216 O24 -","4","0.5","","Feldman, Ken S.; Selfridge, Brandon R.","Enantioselective synthesis of the ent-lomaiviticin A bicyclic core.","Organic letters","2012","14","21","5484","5487","10.1021/ol302567f","","","0.71073","MoKα","","0.2779","0.14","","","0.3556","0.4275","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508816","6.74975","0.00012","6.74975","","13.76388","0.00026","90","","90","","90","","627.07","0.016","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- Mn O8 Pb S2 -","- Mn O8 Pb S2 -","- Mn4 O32 Pb4 S8 -","4","0.5","","West, D.V.; Posen, I.D.; Huang, Q.; Zandbergen, H.W.; McQueen, T.M.; Cava, R.J.","PbMn(SO4)2: A new chiral antiferromagnet","Journal of Solid State Chemistry","2009","182","9","2461","","10.1016/j.jssc.2009.06.021","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511525","10.3081","","10.3081","","14.2589","","90","","90","","90","","1515.11","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","Sc2.27 B44.57 Si0.41","","- B44.57 Sc2.27 Si0.41 -","- B44.566 Sc2.266 Si0.406 -","- B178.264 Sc9.064 Si1.624 -","4","0.5","","Tanaka, T.; Sato, A.","Floating zone crystal growth and structure analysis of a novel Sc B19 family compound, Sc B19+x Siy","Journal of Solid State Chemistry","2001","160","","394","400","10.1006/jssc.2001.9253","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511823","7.3625","0.0003","7.3625","0.0003","30.591","0.001","90","","90","","90","","1658.23","0.11","130","2","130","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H20 Cd N6 O6 -","- C12 H20 Cd N6 O6 -","- C48 H80 Cd4 N24 O24 -","4","0.5","","Colaneri, Michael J.; Vitali, Jacqueline; Kirschbaum, Kristin","Electron Paramagnetic Resonance Spectroscopic Study of Copper Hopping in Doped Bis(l-histidinato)cadmium Dihydrate.","The journal of physical chemistry. A","2013","117","16","3414","3427","10.1021/jp401477m","","","0.71073","MoKα","","0.0252","0.0249","","","0.0622","0.0624","","","","","","1.197","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511824","7.3515","0.0007","7.3515","0.0007","30.456","0.003","90","","90","","90","","1646","0.3","200","2","200","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H20 Cd N6 O6 -","- C12 H20 Cd N6 O6 -","- C48 H80 Cd4 N24 O24 -","4","0.5","","Colaneri, Michael J.; Vitali, Jacqueline; Kirschbaum, Kristin","Electron Paramagnetic Resonance Spectroscopic Study of Copper Hopping in Doped Bis(l-histidinato)cadmium Dihydrate.","The journal of physical chemistry. A","2013","117","16","3414","3427","10.1021/jp401477m","","","0.71073","MoKα","","0.0247","0.0244","","","0.0606","0.0607","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513020","17.7647","0.0002","17.7647","0.0002","13.3815","0.0003","90","","90","","90","","4222.99","0.12","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C28 H32 Ba2 Cd N6 O18 -","- C28 H32 Ba2 Cd N6 O18 -","- C112 H128 Ba8 Cd4 N24 O72 -","4","0.5","","Yuan-Yuan Huang; Xin Zhang; Yuan-Gen Yao","Employing heterometallic trinuclear cluster as building subunit to construct a new coordination polymer with rare 3D inorganic -Cd-O-Ba- connectivity","Inorganica Chimica Acta","2013","397","","38","41","10.1016/j.ica.2012.11.015","","","0.71073","MoKα","","0.0384","0.0315","","","0.0758","0.0803","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513306","9.3534","0.0007","9.3534","0.0007","42.209","0.005","90","","90","","90","","3692.7","0.6","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C19 H26 O7 -","- C19 H26 O7 -","- C152 H208 O56 -","8","1","","Nie, Li-Yue; Qin, Jiang-Jiang; Huang, Ying; Yan, Lan; Liu, Yu-Bo; Pan, Yue-Xing; Jin, Hui-Zi; Zhang, Wei-Dong","Sesquiterpenoids fromInula lineariifoliaInhibit Nitric Oxide Production","Journal of Natural Products","2010","73","6","1117","1120","10.1021/np100124a","","","0.71073","MoKα","","0.0743","0.0458","","","0.0935","0.1013","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514719","9.083","0.0001","9.083","0.0001","41.8928","0.0005","90","","90","","90","","3456.19","0.07","150","","150","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C34 H41 Ga Mo N2 O5 -","- C34 H41 Ga Mo N2 O5 -","- C136 H164 Ga4 Mo4 N8 O20 -","4","0.5","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.0659","0.0543","","0.1298","0.117","0.1298","","","","","","0.8947","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514892","6.1133","0.0009","6.1133","0.0009","52.627","0.011","90","","90","","90","","1966.8","0.6","200","2","200.15","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C23 H19 N7 -","- C23 H19 N7 -","- C92 H76 N28 -","4","0.5","","Lang, Christiane; Pahnke, Kai; Kiefer, Claude; Goldmann, Anja S.; Roesky, Peter W.; Barner-Kowollik, Christopher","Consecutive modular ligation as an access route to palladium containing polymers","Polymer Chemistry","2013","4","21","5456","","10.1039/c3py00648d","","","0.71073","MoKα","","0.0775","0.0375","","","0.0648","0.0742","","","","","","0.899","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515018","17.2587","0.0003","17.2587","0.0003","15.5855","0.0004","90","","90","","90","","4642.34","0.16","123","2","123","2","","","","","","","synthesis as described","6","P 43 21 2","P 4nw 2abw","96","","","","- C26 H36 Cl8 I4 N8 O8 -","- C26 H36 Cl8 I4 N8 O8 -","- C104 H144 Cl32 I16 N32 O32 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0436","0.0339","","","0.0612","0.0641","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516032","10.6097","0.0011","10.6097","0.0011","32.495","0.007","90","","90","","90","","3657.8","1","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","AN2TPAN","2,2'-((phenylazanediyl)bis(4,1-phenylene))bis(3,3-diphenylacrylonitrile)","","- C48 H33 N3 -","- C48 H33 N3 -","- C192 H132 N12 -","4","0.5","","Gong, Yongyang; Zhang, Yiren; Yuan, Wang Zhang; Sun, Jing Zhi; Zhang, Yongming","D‒A Solid Emitter with Crowded and Remarkably Twisted Conformations Exhibiting Multifunctionality and Multicolor Mechanochromism","The Journal of Physical Chemistry C","2014","118","20","10998","","10.1021/jp500556p","","","0.71073","MoKα","","0.0903","0.0414","","","0.0842","0.1023","","","","","","1.01","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1516679","12.1808","0.0003","12.1808","0.0003","44.474","0.002","90","","90","","90","","6598.7","0.4","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C70 H98 Mg O13 Zn2 -","- C70 H98 Mg O13 Zn2 -","- C280 H392 Mg4 O52 Zn8 -","4","0.5","","Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva","Structural and reactivity insights in Mg‒Zn hybrid chemistry: Zn‒I exchange and Pd-catalysed cross-coupling applications of aromatic substrates","Chemical Science","2014","5","9","3552","","10.1039/C4SC01263A","","","0.71073","MoKα","","0.097","0.0667","","","0.1729","0.1841","","","","","","0.962","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516749","6.4456","0.0009","6.4456","0.0009","12.53","0.003","90","","90","","90","","520.57","0.16","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C3 H8 N2 O2 -","- C3 H8 N2 O2 -","- C12 H32 N8 O8 -","4","0.5","","Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno","Unusually weak binding interactions in tetrazole-amidine complexes.","Organic letters","2006","8","7","1279","1282","10.1021/ol053072+","","","0.71073","MoKα","","0.0435","0.0335","","","0.0784","0.0796","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517166","7.9922","0.0006","7.9922","0.0006","23.1283","0.0017","90","","90","","90","","1477.33","0.19","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H16 Fe N4 O3 -","- C13 H16 Fe N4 O3 -","- C52 H64 Fe4 N16 O12 -","4","0.5","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0396","0.0287","","","0.0688","0.074","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517265","14.3442","0.0001","14.3442","0.0001","26.2596","0.0003","90","","90","","90","","5403.07","0.08","140","2","140","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C30 H38 O6 -","- C30 H38 O6 -","- C240 H304 O48 -","8","1","","Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong","Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.","Organic letters","2014","16","16","4216","4219","10.1021/ol501923k","","","1.54178","CuKα","","0.0558","0.0518","","","0.1485","0.1522","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520336","15.3937","0.001","15.3937","0.001","43.421","0.004","90","","90","","90","","10289.3","1.3","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C36 H81 Dy N3 O12 P3 -","- C36 H81 Dy N3 O12 P3 -","- C288 H648 Dy8 N24 O96 P24 -","8","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81DyN3O12P3","Crystal Structure Report Archive","2009","","","1242","","","","","0.71073","MoKα","","0.1082","0.0801","","","0.2233","0.2577","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520651","10.7929","0.0002","10.7929","0.0002","21.8689","0.0004","90","","90","","90","","2547.44","0.08","","","296","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C28 H28 O4 S3 -","","","4","0.5","","Hegab, Mohamed I.; Abdel-Megeid, Farouk M. E.; Gad, Farouk A.; Shiba, Sayed A.; Sotofte, Inger; Moller, Jorgen; Senning, Alexander","New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to Dispiro Derivatives of 1,2,4-Trithiolane.","Acta Chemica Scandinavica","1999","53","","133","140","10.3891/acta.chem.scand.53-0133","","x-ray","0.71069","MoKα","","","0.05","","","0.0958","","","","","","","","","","","","175419","2020-10-21","18:00:00",""
"1521157","10.18","","10.18","","14.257","","90","","90","","90","","1477.49","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","Al1.03 Be0.67 B22","","- Al1.03 B22 Be0.67 -","- Al1.029 B22 Be0.67 -","- Al8.232 B176 Be5.36 -","8","1","","Higashi, I.","The crystal structure of Al1.0 Be0.7 B22","Journal of the Less-Common Metals","1979","67","","7","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","140824","2020-10-21","18:00:00",""
"1525577","7.8511","","7.8511","","56.843","","90","","90","","90","","3503.79","","","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","(Np O2 (N C S) (C O (N H2)2)4) (C O (N H2)2)0.5","","- C5.5 H18 N10 Np O6.5 S -","- C5.5 H18 N10 Np O6.5 S -","- C44 H144 N80 Np8 O52 S8 -","8","1","","Andreev, G.B.; Fedoseev, A.M.; Budantseva, N.A.; Antipin, M.Yu.","Crystal structure and properties of (isothiocyanato) dioxotetrakis(urea) neptunium * hemi(urea) (Np O2 (N C S) (O C (N H2)2)4)2 * O C (N H2)2","Doklady Akad. Nauk","2000","375","","778","781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526837","10.057","","10.057","","19.227","","90","","90","","90","","1944.68","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Rb3 O2 (Mo O)4 (P O4)4","","- Mo4 O22 P4 Rb3 -","- Mo4 O22 P4 Rb3 -","- Mo16 O88 P16 Rb12 -","4","0.5","","Leclaire, A.; Marsh, R.E.; Borel, M.M.; Guesdon, A.","Revised space groups for three molybdenum(V) phosphate compounds","Journal of Solid State Chemistry","2001","159","","7","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","148089","2020-10-21","18:00:00",""
"1527618","10.161","","10.161","","14.283","","90","","90","","90","","1474.66","","","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- Al1.67 B22 -","- Al1.669 B22 -","- Al13.352 B176 -","8","1","","Kasper, J.S.; Naslain, R.; Vlasse, M.","The alpha-Al B12 structure","Journal of Solid State Chemistry","1977","20","","281","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528389","5.93","","5.93","","6.98","","90","","90","","90","","245.451","","","","","","","","","","","","","1","P 43 21 2","P 4nw 2abw","96","","","","- Ge -","- Ge -","- Ge12 -","12","1.5","","Bundy, F.P.; Kasper, J.S.","A new dense form of solid germanium","Science","1963","139","","340","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528412","12.259","","12.259","","32.976","","90","","90","","90","","4955.73","","","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","(Ga I2 ((C H3)3 P O)2) (Ga I4)","","- C6 H18 Ga2 I6 O2 P2 -","- C6 H18 Ga2 I6 O2 P2 -","- C48 H144 Ga16 I48 O16 P16 -","8","1","","Cheng Fei; Codgbrook, H.L.; Webster, M.; Hector, A.L.; Reid, G.; Levason, W.; Zhang Wenjian","Gallium(III) halide complexes with phosphines, arsines and phosphine oxides - a comparative study","Polyhedron","2007","26","","4147","4155","","","","","","","","","","","","","","","","","","","","","","has coordinates","150588","2020-10-21","18:00:00",""
"1528584","5.283","","5.283","","19.808","","90","","90","","90","","552.843","","","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- Cd P2 -","- Cd P2 -","- Cd8 P16 -","8","1","","Horn, J.","Crystal structure and absolute configuration of beta-Cd P2","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1969","17","","69","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528752","10.696","","10.696","","28.741","","90","","90","","90","","3288.1","","","","","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","Na K ((C H3 S O2)2 N)2 (H2 O)2","","- C4 H16 K N2 Na O10 S4 -","- C4 H16 K N2 Na O10 S4 -","- C32 H128 K8 N16 Na8 O80 S32 -","8","1","","Nagel, K.H.; Naeveke, M.; Moers, O.; Lange, I.; Jones, P.G.; Blaschette, A.","Polysulfonylamine. CLVIII. Kristallstrukturen von Metall-di(methansulfonyl)amiden. 9. Erhoehung der Kristallsymmetrie durch Kokristallisation: Monoklines Na [(C H3 S O2)2 N].H2 O und tetragonales Na K [(C H3 S O2)2 N]2.2H2 O","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2877","2886","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529916","15.5711","","15.5711","","13.6516","","90","","90","","90","","3309.96","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","Ta4 P4 S29","","- P4 S29 Ta4 -","- P4 S29 Ta4 -","- P16 S116 Ta16 -","4","0.5","","Evain, M.; Queignec, M.; Rouxel, J.; Brec, R.","Ta4 P4 S29: A new tunnel structure with inserted polymeric sulfur","Journal of Solid State Chemistry","1985","56","","148","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","154828","2020-10-21","18:00:00",""
"1530948","7.31","","7.31","","13.212","","90","","90","","90","","705.998","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Fe2.95 (P O4)2 (O H)2","","- Fe2.95 H2 O10 P2 -","- Fe2.946 O10 P2 -","- Fe11.784 O40 P8 -","4","0.5","","Vencato, I.; Mattievich, E.; Primerano Mascarenhas, Y.","Crystal Structure of synthetic lipscombite: A redetermination","American Mineralogist","1989","74","","456","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531947","10.4482","0.0008","10.4482","0.0008","14.7573","0.0013","90","","90","","90","","1611","0.2","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C3 H7 Cl3 I0 N O0 Pb -","- C3 H7 Cl3 N Pb -","- C24 H56 Cl24 N8 Pb8 -","8","1","","Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Cai, Li-Zhen; Li, Wen-Hua; Guo, Guo-Cong","Semiconductive 3-D haloplumbate framework hybrids with high color rendering index white-light emission","Chem. Sci.","2015","6","12","7222","","10.1039/C5SC02501J","","","0.71073","MoKα","","0.0304","0.0295","","","0.0669","0.0675","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535366","5.4626","","5.4626","","16.3149","","90","","90","","90","","486.837","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","B3 N3 H6","","- B3 H6 N3 -","- B3 H6 N3 -","- B12 H24 N12 -","4","0.5","","Boese, R.; Maulitz, A.H.; Stellberg, P.","Solid-state borazine: does it deserve to be entitled ""inorganic benzene""?","Chemische Berichte","1994","127","","1887","1889","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536076","15.4035","","15.4035","","9.0981","","90","","90","","90","","2158.69","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(Hg2 N) (N O3)","","- Hg2 N2 O3 -","- Hg2 N2 O3 -","- Hg40 N40 O60 -","20","2.5","","Nockemann, P.; Meyer, G.","Bildung von N H4 (Hg3 (N H)2)(N O3)3 und Umwandlung in (Hg2 N) (N O3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2709","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","163661","2020-10-21","18:00:00",""
"1536403","8.559","","8.559","","16.102","","90","","90","","90","","1179.58","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","K Ba4 P5","","- Ba4 K P5 -","- Ba4 K P5 -","- Ba16 K4 P20 -","4","0.5","","Derrien, G.; Tillard, M.; Manteghetti, A.P.; Belin, C.","Phosphorus oligomerization in Zintl phases: synthesis, crystal structure and bonding analysis of mixed alkali and alkaline-earth metal phosphides","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1601","1609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539990","5.0661","","5.0661","","18.532","","90","","90","","90","","475.631","","","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","Zn P2","","- P2 Zn -","- P2 Zn -","- P16 Zn8 -","8","1","","Zanin, I.E.; Aleinikova, K.B.; Antipin, M.Yu.","Analysis of chemical bonding in the alpha and beta modifications of zinc diphosphide from X-ray diffraction data","Kristallografiya","2003","48","","232","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540465","10.5228","0.0003","10.5228","0.0003","52.456","0.004","90","","90","","90","","5808.4","0.5","193","2","193","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C28 H40 O8 -","- C28 H40 O8 -","- C224 H320 O64 -","8","1","","Nguyen, Ha T. T.; Truong, Ngan B.; Doan, Huong T. M.; Litaudon, Marc; Retailleau, Pascal; Do, Thao T.; Nguyen, Hung V.; Chau, Minh V.; Pham, Cuong V.","Cytotoxic Clerodane Diterpenoids from the Leaves of Casearia grewiifolia.","Journal of natural products","2015","78","11","2726","2730","10.1021/acs.jnatprod.5b00677","","","1.54187","CuKα","","0.0912","0.0633","","","0.1699","0.2145","","","","","","1.133","","","","has coordinates,has disorder","170808","2020-10-21","18:00:00",""
"1541667","13.398","","13.398","","13.79","","90","","90","","90","","2475.39","","","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","(Cu (C S (N H2)2)3) Cl","","- C3 H12 Cl Cu N6 S3 -","- C3 H12 Cl Cu N6 S3 -","- C24 H96 Cl8 Cu8 N48 S24 -","8","1","","Bombicz, P.; Madarasz, J.; Mutikainen, I.; Leskela, T.; Krunks, M.; Niinisto, L.","Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes","Inorganica Chimica Acta","2004","357","","513","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541668","13.391","","13.391","","13.788","","90","","90","","90","","2472.45","","","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","(Cu (C S (N H2)2)3) Br","","- C3 H12 Br Cu N6 S3 -","- C3 H12 Br Cu N6 S3 -","- C24 H96 Br8 Cu8 N48 S24 -","8","1","","Bombicz, P.; Mutikainen, I.; Krunks, M.; Niinisto, L.; Madarasz, J.; Leskela, T.","Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes","Inorganica Chimica Acta","2004","357","","513","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541884","10.52245","0.00015","10.52245","0.00015","48.9522","0.0016","90","","90","","90","","5420.1","0.2","293","","293","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H28 I N O9 -","- C24 H28 I N O9 -","- C192 H224 I8 N8 O72 -","8","1","","Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene","Chem. Sci.","2016","7","4","2717","","10.1039/C5SC03658E","","x-ray","1.54184","CuKα","","0.0679","0.0614","","","0.1629","0.1685","","","","","","1.037","","","","has coordinates","181578","2020-10-21","18:00:00",""
"1541891","14.7478","0.0002","14.7478","0.0002","40.2121","0.001","90","","90","","90","","8746","0.3","100","2","100","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C46 H43 Au B F15 N O P -","- C46 H43 Au B F15 N O P -","- C368 H344 Au8 B8 F120 N8 O8 P8 -","8","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0593","0.0437","","","0.0894","0.0952","","","","","","1.131","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1544484","16.2628","0.0003","16.2628","0.0003","35.9975","0.001","90","","90","","90","","9520.6","0.4","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Conofolidine","","","- C45 H54 N4 O11 -","- C45 H54 N4 O11 -","- C360 H432 N32 O88 -","8","1","","Nge, Choy-Eng; Sim, Kae-Shin; Lim, Siew-Huah; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","A Hexacyclic, Iboga-Derived Monoterpenoid Indole with a Contracted Tetrahydroazepine C-Ring and Incorporation of an Isoxazolidine Moiety, a Seco-Corynanthean, an Aspidosperma-Aspidosperma Bisindole with Anticancer Properties, and the Absolute Configuration of the Pyridopyrimidine Indole Alkaloid, Vernavosine.","Journal of natural products","2016","79","10","2709","2717","10.1021/acs.jnatprod.6b00674","","","1.54184","CuKα","","0.0934","0.0808","","","0.2285","0.2397","","","","","","1.416","","","","has coordinates","187846","2020-10-21","18:00:00",""
"1545195","28.765","0.008","28.765","0.008","28.673","0.008","90","","90","","90","","23725","11","80","2","80","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C152 H239 N64 O97 P2 Pt6 -","- C152 H192 N64 O97 P2 Pt6 -","- C608 H768 N256 O388 P8 Pt24 -","4","0.5","","Sawada, Tomohisa; Yoshizawa, Michito; Sato, Sota; Fujita, Makoto","Minimal nucleotide duplex formation in water through enclathration in self-assembled hosts","Nature Chemistry","2009","1","1","53","","10.1038/nchem.100","","","0.71073","MoKα","","0.1371","0.0552","","","0.1313","0.1741","","","","","","0.988","","","","has coordinates,has disorder","191209","2020-10-21","18:00:00",""
"1545378","8.8003","0.0006","8.8003","0.0006","19.772","0.002","90","","90","","90","","1531.2","0.2","93","","93","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","","- C14 H6 Cl2 N2 O4 Ru -","- C14 H6 Cl2 N2 O4 Ru -","- C56 H24 Cl8 N8 O16 Ru4 -","4","0.5","","Takase, Tsugiko; Takahashi, Kasumi; Oyama, Dai","<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","IUCrData","2017","2","2","x170288","","10.1107/S2414314617002887","","","0.71075","MoKα","","","0.0249","","","","0.0613","","","","","","1.082","","","","has coordinates,has Fobs","192763","2020-10-21","18:00:00",""
"1546839","19.3615","0.0001","19.3615","0.0001","14.1645","0.0002","90","","90","","90","","5309.81","0.08","120","0.1","120","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H14 N5.5 O9.5 S2 Zn2 -","- C16 H4 N4 O8 S2 Zn2 -","- C128 H32 N32 O64 S16 Zn16 -","8","1","","Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei","Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation","Chemical Communications","2017","53","74","10314","10317","10.1039/C7CC06125K","","","1.54184","CuKα","","0.0486","0.0416","","","0.1089","0.1126","","","","","","1.039","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546840","19.3938","0.0001","19.3938","0.0001","14.1496","0.0001","90","","90","","90","","5321.94","0.05","119.99","0.1","119.99","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H14 N5.5 O9.5 S2 Zn2 -","- C16 H4 N4 O8 S2 Zn2 -","- C128 H32 N32 O64 S16 Zn16 -","8","1","","Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei","Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation","Chemical Communications","2017","53","74","10314","10317","10.1039/C7CC06125K","","","1.54184","CuKα","","0.0298","0.0286","","","0.0738","0.0745","","","","","","1.071","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546841","19.3596","0.0014","19.3596","0.0014","14.1336","0.0015","90","","90","","90","","5297.2","0.8","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H14 N5.5 O9.5 S2 Zn2 -","- C16 H4 N4 O8 S2 Zn2 -","- C128 H32 N32 O64 S16 Zn16 -","8","1","","Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei","Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation","Chemical Communications","2017","53","74","10314","10317","10.1039/C7CC06125K","","","1.54184","CuKα","","0.0357","0.0332","","","0.0881","0.0894","","","","","","1.069","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546925","7.13","0.0002","7.13","0.0002","66.238","0.002","90","","90","","90","","3367.33","0.17","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","hxq119b","","","- C16 H17 F3 N2 O3 S -","- C16 H17 F3 N2 O3 S -","- C128 H136 F24 N16 O24 S8 -","8","1","","Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system","Chem. Sci.","2017","","","","","10.1039/C7SC02621H","","","0.71073","MoKα","","0.0516","0.0479","","","0.1008","0.102","","","","","","1.224","","","","has coordinates","200105","2020-10-21","18:00:00",""
"1549110","8.13398","0.00018","8.13398","0.00018","31.6136","0.001","90","","90","","90","","2091.61","0.09","110.05","0.1","110.05","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C18 H30 F4 Ni P2 -","- C18 H30 F4 Ni P2 -","- C72 H120 F16 Ni4 P8 -","4","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0637","0.0549","","","0.086","0.089","","","","","","1.21","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1550764","12.0614","0.0004","12.0614","0.0004","37.3048","0.0013","90","","90","","90","","5427","0.3","296","2","296","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","JA-58-cristal1","","","- C25.5 H25 B Br3 Cl F2 N2 -","- C25.5 H25 B Br3 Cl F2 N2 -","- C204 H200 B8 Br24 Cl8 F16 N16 -","8","1","","Guerrero-Corella, Andrea; Asenjo-Pascual, Juan; Pawar, Tushar Janardan; Díaz-Tendero, Sergio; Martín-Sómer, Ana; Gómez, Clarisa Villegas; Belmonte-Vázquez, José L.; Ramírez-Ornelas, Diana E.; Peña-Cabrera, Eduardo; Fraile, Alberto; Cruz, David Cruz; Alemán, José","BODIPY as electron withdrawing group for the activation of double bonds in asymmetric cycloaddition reactions","Chemical Science","2019","","","","","10.1039/C9SC00959K","","","0.71073","MoKα","","0.0816","0.0606","","","0.155","0.172","","","","","","1.067","","","","has coordinates","214232","2020-10-21","18:00:00",""
"1550972","16.0995","0.0005","16.0995","0.0005","16.3816","0.0005","90","","90","","90","","4246","0.2","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C47.24 H72.13 B2 Fe N5 -","- C47.244 H72.136 B2 Fe N5 -","- C188.976 H288.544 B8 Fe4 N20 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","1.54178","CuKα","","0.0733","0.0561","","","0.1482","0.1651","","","","","","1.004","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550982","16.4289","0.0008","16.4289","0.0008","16.7181","0.001","90","","90","","90","","4512.4","0.4","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H73 B2 Cl2 Fe N7 -","- C44.0002 H73 B2 Cl2.0004 Fe N7 -","- C176.001 H292 B8 Cl8.0016 Fe4 N28 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0759","0.0583","","","0.1193","0.1322","","","","","","1.079","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1552144","14.609","0.0013","14.609","0.0013","21.144","0.002","90","","90","","90","","4512.6","0.7","116","2","116.62","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(n-Bu3NH)2[V(4-Br-C6H3O2)3]","tris(4-bromocatecholato)vanadate(IV) bis-tri-n-butylammonium","","- C42 H64 Br3 N2 O6 V -","- C42 H65 Br3 N2 O6 V -","- C168 H260 Br12 N8 O24 V4 -","4","0.5","","Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M.","Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes","Chemical Science","2019","","","","","10.1039/C9SC02899D","","","0.71073","MoKα","","0.0566","0.0376","","","0.0955","0.1261","","","","","","1.131","","","","has coordinates,has disorder","217404","2020-10-21","18:00:00",""
"1552146","10.725","0.0006","10.725","0.0006","42.298","0.003","90","","90","","90","","4865.4","0.5","120","2","119.76","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(n-Bu3NH)2[V(4,5-Br2-C6H2O2)3]","tris(4,5-dibromo-catecholato)vanadate(IV) bis-tri-n-butylammonium","","- C42 H62 Br6 N2 O6 V -","- C42 H62 Br6 N2 O6 V -","- C168 H248 Br24 N8 O24 V4 -","4","0.5","","Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M.","Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes","Chemical Science","2019","","","","","10.1039/C9SC02899D","","","0.71073","MoKα","","0.0525","0.0508","","","0.1459","0.15","","","","","","1.148","","","","has coordinates,has disorder","217404","2020-10-21","18:00:00",""
"1552253","13.4887","0.0004","13.4887","0.0004","34.6571","0.0012","90","","90","","90","","6305.7","0.3","100","","100","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C61 H60 B F24 Ir N P2 -","- C61 H60 B F24 Ir N P2 -","- C244 H240 B4 F96 Ir4 N4 P8 -","4","0.5","","Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden","Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes","Chemical Science","2019","","","","","10.1039/C9SC03076J","","","1.5418","CuKα","","0.033","0.0307","","0.0729","0.0713","0.0729","","","","","","0.992","","","","has coordinates,has disorder","217624","2020-10-21","18:00:00",""
"1552613","11.72503","0.00009","11.72503","0.00009","25.843","0.0004","90","","90","","90","","3552.8","0.07","173","0.14","173","0.14","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C160 H256 O32 -","8","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","1.54184","CuKα","","0.0301","0.0291","","","0.0723","0.0732","","","","","","1.0626","","","","has coordinates","222135","2020-10-21","18:00:00",""
"1553258","8.0784","0.0003","8.0784","0.0003","45.237","0.002","90","","90","","90","","2952.2","0.2","100","2","100","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C128 H160 O40 -","8","1","","Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa","Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.","Journal of medicinal chemistry","2018","61","13","5664","5678","10.1021/acs.jmedchem.8b00565","","","0.71073","MoKα","","0.0303","0.0301","","","0.074","0.0741","","","","","","1.025","","","","has coordinates","234018","2020-10-21","18:00:00",""
"1553640","9.37666","0.00019","9.37666","0.00019","36.6305","0.0012","90","","90","","90","","3220.62","0.14","180.01","0.1","180.01","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","1","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","1.5418","CuKα","","0.0471","0.0421","","","0.1015","0.1052","","","","","","1.063","","","","has coordinates","235356","2020-10-21","18:00:00",""
"1554099","11.3202","0.0001","11.3202","0.0001","36.3968","0.0007","90","","90","","90","","4664.14","0.11","173","","173","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H23 Br N2 O4 -","- C26 H23 Br N2 O4 -","- C208 H184 Br8 N16 O32 -","8","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","1.54178","CuKα","","0.0301","0.0269","","","0.061","0.0627","","","","","","1.067","","","","has coordinates","236569","2020-10-21","18:00:00",""
"1554565","13.6813","0.0019","13.6813","0.0019","29.053","0.006","90","","90","","90","","5438.1","1.5","173","2","173.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H27 N O4 S -","- C32 H27 N O4 S -","- C256 H216 N8 O32 S8 -","8","1","","Chen, Kun-Quan; Gao, Zhong-Hua; Ye, Song","Bifunctional N-heterocyclic carbene catalyzed [3 + 4] annulation of enals with azadienes: enantioselective synthesis of benzofuroazepinones","Organic Chemistry Frontiers","2019","6","3","405","","10.1039/C8QO01302K","","","0.71073","MoKα","","0.0573","0.0562","","","0.1116","0.1119","","","","","","1.238","","","","has coordinates","237350","2020-10-21","18:00:00",""
"1554628","7.0912","0.0005","7.0912","0.0005","34.097","0.004","90","","90","","90","","1714.6","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H8 N10 O14 -","- C8 H8 N10 O14 -","- C32 H32 N40 O56 -","4","0.5","","Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen","Customization of the molecular structure to modulate the crystal packing style of energetic materials","Molecular Systems Design & Engineering","2019","4","5","1032","","10.1039/C9ME00051H","","","0.71073","MoKα","","0.0427","0.039","","","0.0956","0.0978","","","","","","1.083","","","","has coordinates","237910","2020-10-21","18:00:00",""
"1555244","13.3557","0.0007","13.3557","0.0007","44.138","0.003","90","","90","","90","","7873.1","0.8","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C76 H78 O16 S4 -","- C76 H78 O16 S4 -","- C304 H312 O64 S16 -","4","0.5","","Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.","Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.","Organic letters","2015","17","17","4296","4299","10.1021/acs.orglett.5b02102","","","0.71073","MoKα","","0.0848","0.0679","","","0.1641","0.1731","","","","","","1.08","","","","has coordinates","238421","2020-10-21","18:00:00",""
"1555743","8.4853","0.0003","8.4853","0.0003","37.19","0.0015","90","","90","","90","","2677.69","0.17","294.44","0.1","294.44","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C120 H168 N8 O24 -","8","1","","Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong","Asymmetric Total Synthesis of (-)-Lycospidine A.","Organic letters","2016","18","18","4682","4685","10.1021/acs.orglett.6b02322","","x-ray","0.71073","MoKα","","0.082","0.0552","","","0.1114","0.1274","","","","","","1.062","","","","has coordinates","239074","2020-10-21","18:00:00",""
"1556183","9.653","0.0005","9.653","0.0005","40.391","0.002","90","","90","","90","","3763.6","0.3","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C160 H256 O40 -","8","1","","Zhang, Mengke; Zhu, Yan; Zhan, Guanqun; Shu, Penghua; Sa, Rongjian; Lei, Liang; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Wan, Qian; Yao, Guangmin; Zhang, Yonghui","Micranthanone A, a new diterpene with an unprecedented carbon skeleton from Rhododendron micranthum.","Organic letters","2013","15","12","3094","3097","10.1021/ol401292y","","","1.54178","CuKα","","0.0695","0.06","","","0.1553","0.2052","","","","","","1.193","","","","has coordinates","243537","2020-10-21","18:00:00",""
"1556426","12.1642","0.0012","12.1642","0.0012","26.953","0.003","90","","90","","90","","3988.2","0.7","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C38 H58 P2 Si2 Th -","- C38 H58 P2 Si2 Th -","- C152 H232 P8 Si8 Th4 -","4","0.5","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0229","0.0203","","","0.0416","0.0424","","","","","","1.077","","","","has coordinates","244923","2020-10-21","18:00:00",""
"1556427","12.0767","0.0011","12.0767","0.0011","26.931","0.003","90","","90","","90","","3927.8","0.7","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C38 H58 P2 Si2 U -","- C38 H58 P2 Si2 U -","- C152 H232 P8 Si8 U4 -","4","0.5","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0212","0.0166","","","0.032","0.033","","","","","","0.983","","","","has coordinates","244924","2020-10-21","18:00:00",""
"1556570","9.247","0.005","9.247","0.005","42.695","0.007","90","","90","","90","","3651","3","298","2","298","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C160 H240 O32 -","8","1","","Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin","Antinociceptive Grayanane Diterpenoids from the Leaves of <i>Pieris japonica</i>.","Journal of natural products","2019","82","12","3330","3339","10.1021/acs.jnatprod.9b00569","","","1.54184","CuKα","","0.0833","0.0817","","","0.2185","0.2204","","","","","","1.064","","","","has coordinates,has disorder","246571","2020-10-21","18:00:00",""
"1558814","13.5418","0.0001","13.5418","0.0001","66.0707","0.0008","90","","90","","90","","12116.1","0.19","150","0.1","150","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","A2L3Cd2","","","- C109 H111 Cd2 F12 N17 O12 S10 -","- C109 H111 Cd2 F12 N17 O12 S10 -","- C436 H444 Cd8 F48 N68 O48 S40 -","4","0.5","","Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong","Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages","Chemical Science","2020","","","","","10.1039/D0SC03290E","","x-ray","1.54184","CuKα","","0.1046","0.0978","","","0.261","0.2706","","","","","","1.024","","","","has coordinates,has disorder","255150","2020-10-21","18:00:00",""
"1558859","23.1826","0.0001","23.1826","0.0001","44.5679","0.0005","90","","90","","90","","23952.3","0.3","123","","123","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- C132 H78 -","- C132 H78 -","- C1056 H624 -","8","1","","Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru","Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns","Chemical Science","2020","","","","","10.1039/D0SC02452J","","","1.54184","CuKα","","0.0855","0.065","","","0.1795","0.1963","","","","","","1.045","","","","has coordinates","255331","2020-10-21","18:00:00",""
"1559189","15.89","0.008","15.89","0.008","14.121","0.006","90","","90","","90","","3565","3","170","2","170","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C17 H20 N4 O3 Pd -","- C17 H20 N4 O3 Pd -","- C136 H160 N32 O24 Pd8 -","8","1","","Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin","Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis","Chemical Science","2020","","","","","10.1039/D0SC02328K","","","0.71073","MoKα","","0.025","0.0225","","","0.0498","0.051","","","","","","1.083","","","","has coordinates","256749","2020-10-21","18:00:00",""
"1559900","21.2871","0.0005","21.2871","0.0005","32.0541","0.0007","90","","90","","90","","14525","0.6","150","","150","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","N2,N2'-(1,3-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate","","- C18 H20 N22 -","- C18 H20 N22 -","- C144 H160 N176 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.34139","GaKα","","0.0815","0.0491","","","0.1487","0.1709","","","","","","0.956","","","","has coordinates","260354","2021-01-02","01:35:12",""
"1560351","6.9951","0.0002","6.9951","0.0002","25.439","0.0007","90","","90","","90","","1244.77","0.06","298","2","298","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- Mn O14 Sr3 V4 -","- Mn O14 Sr3 V4 -","- Mn4 O56 Sr12 V16 -","4","0.5","","Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Pellizzeri, Steven; Wen, Yimei; Getman, Rachel B.; Chumanov, George; Kolis, Joseph W.","Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH)","Journal of Solid State Chemistry","2017","255","","225","233","10.1016/j.jssc.2017.07.008","","","0.71073","MoKα","","0.022","0.0192","","","0.0371","0.0377","","","","","","1.057","","","","has coordinates","261915","2021-02-12","14:07:41",""
"1560461","11.2036","0.0005","11.2036","0.0005","29.896","0.002","90","","90","","90","","3752.6","0.3","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C36 H36 N4 Ni2 O15 S -","- C36 H36 N4 Ni2 O15 S -","- C144 H144 N16 Ni8 O60 S4 -","4","0.5","","Yao, Shuang; Yi, Fei-Yan; Li, Guanghua; Yu, Yang; Wang, Jing-yuan; Liu, Dan; Song, Shu-Yan","Syntheses, structures, and magnetic properties of cobalt(II) and nickel(II) coordination polymers based on a V-shaped ligand","Journal of Solid State Chemistry","2017","250","","6","13","10.1016/j.jssc.2017.03.010","","","0.71073","MoKα","","0.0608","0.0595","","","0.1412","0.1419","","","","","","1.192","","","","has coordinates,has disorder","262056","2021-02-18","09:36:36",""
"1561083","15.4132","0.0003","15.4132","0.0003","18.4595","0.0005","90","","90","","90","","4385.36","0.17","296","2","296.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H17 N5 O6 Zn -","- C22 H17 N5 O6 Zn -","- C176 H136 N40 O48 Zn8 -","8","1","","Arıcı, Mürsel","Construction, Structural Diversity and Properties of Five Coordination Polymers Based on 5-Nitroisophthalate and Bis(imidazole) Linkers","Journal of Solid State Chemistry","2018","262","","79","86","10.1016/j.jssc.2018.03.013","","","0.71073","MoKα","","0.0435","0.0328","","","0.0699","0.0741","","","","","","0.985","","","","has coordinates","263089","2021-03-17","10:48:56",""
"1561833","17.6029","0.0006","17.6029","0.0006","29.0488","0.0015","90","","90","","90","","9001.1","0.6","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C39 H53 N11 O16 Y2 -","- C39 H50 N11 O14.5 Y2 -","- C312 H400 N88 O116 Y16 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0477","0.0342","","","0.0769","0.0835","","","","","","1.039","","","","has coordinates,has disorder","264219","2021-04-16","01:01:29",""
"1561834","17.5856","0.0005","17.5856","0.0005","28.9382","0.0012","90","","90","","90","","8949.2","0.5","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C39 H50 Lu2 N11 O14.5 -","- C39 H50 Lu2 N11 O14.5 -","- C312 H400 Lu16 N88 O116 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0268","0.0232","","","0.0553","0.0572","","","","","","1.098","","","","has coordinates,has disorder","264219","2021-04-16","01:01:31",""
"1561835","17.5896","0.0007","17.5896","0.0007","28.9543","0.0019","90","","90","","90","","8958.3","0.8","100","","100","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C39 H50 Lu N11 O14.5 Yb -","- C39 H50 Lu N11 O14.5 Yb -","- C312 H400 Lu8 N88 O116 Yb8 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0333","0.0278","","","0.0632","0.0669","","","","","","1.164","","","","has coordinates,has disorder","264219","2021-04-16","01:01:41",""
"1561837","17.5884","0.0005","17.5884","0.0005","28.9743","0.0013","90","","90","","90","","8963.3","0.5","100","","100","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C39 H50 Lu N11 O14.5 Y -","- C39 H50 Lu N11 O14.5 Y -","- C312 H400 Lu8 N88 O116 Y8 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0312","0.0266","","","0.0672","0.0699","","","","","","1.079","","","","has coordinates,has disorder","264219","2021-04-16","01:01:54",""
"1561840","17.6312","0.0004","17.6312","0.0004","29.2044","0.0012","90","","90","","90","","9078.5","0.5","100","","100","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C39 H52 Gd N11 O15.5 Y -","- C39 H50 Gd N11 O14.5 Y -","- C312 H400 Gd8 N88 O116 Y8 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0362","0.0289","","","0.065","0.0693","","","","","","1.057","","","","has coordinates,has disorder","264219","2021-04-16","01:02:08",""
"1562482","8.6027","0.0002","8.6027","0.0002","43.7712","0.001","90","","90","","90","","3239.35","0.13","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H14 Cu N2 O6 -","- C14 H12 Cu N2 O6 -","- C112 H96 Cu8 N16 O48 -","8","1","","Zavakhina, Marina S.; Samsonenko, Denis G.; Virovets, Alexander V.; Dybtsev, Danil N.; Fedin, Vladimir P.","Homochiral Cu(II) and Ni(II) malates with tunable structural features","Journal of Solid State Chemistry","2014","210","1","125","129","10.1016/j.jssc.2013.11.011","","x-ray","0.71073","MoKα","","0.0427","0.0415","","","0.1498","0.1508","","","","","","1.217","","","","has coordinates","265093","2021-05-11","08:03:04",""
"1563838","16.6643","0.0004","16.6643","0.0004","24.88","0.0013","90","","90","","90","","6909.1","0.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C70 H62 Cd2 N8 O11 -","- C70 H56 Cd2 N8 O11 -","- C280 H224 Cd8 N32 O44 -","4","0.5","","Sun, Shaowen; Sun, Yingying; Guo, Huadong; Fu, Xirao; Guo, Mingming; Liu, Siyu; Guo, Xianmin; Zhang, Liang; Alexandrov, Eugeny V.","Construction of Cd(II) coordination polymers from a fluorene-based bisimidazole ligand and polycarboxylic acids: syntheses, structures and properties","Inorganica Chimica Acta","2018","483","","165","172","10.1016/j.ica.2018.08.018","","","0.71073","MoKα","","0.065","0.0556","","","0.1485","0.1539","","","","","","1.097","","","","has coordinates","266861","2021-07-01","08:31:54",""
"1564530","23.7717","0.0008","23.7717","0.0008","14.8492","0.0006","90","","90","","90","","8391.2","0.5","298","","298","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C40 H59 N O5 -","- C40 H59 N O5 -","- C320 H472 N8 O40 -","8","1","","Yun, Ying; Zhang, Chenlu; Guo, Shimeng; Liang, Xiaoying; Lan, Yuan; Wang, Min; Zhuo, Ning; Yin, Jianpeng; Liu, Huanan; Gu, Min; Li, Jing; Xie, Xin; Nan, Fajun","Identification of Betulinic Acid Derivatives as Potent TGR5 Agonists with Antidiabetic Effects via Humanized TGR5<sup>H88Y</sup> Mutant Mice.","Journal of medicinal chemistry","2021","64","16","12181","12199","10.1021/acs.jmedchem.1c00851","","","1.54178","CuKα","","0.0487","0.0435","","","0.1332","0.1384","","","","","","1.068","","","","has coordinates","268451","2021-09-04","00:13:32",""
"1565995","23.3244","0.001","23.3244","0.001","48.784","0.003","90","","90","","90","","26540","2","120","","120","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C82 H201.75 K4 O98.88 P2 -","- C82 H102 K4.74985 O98.8333 P2 -","- C656 H816 K37.9988 O790.666 P16 -","8","1","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.0882","0.0842","","","0.2352","0.2406","","","","","","1.042","","","","has coordinates,has disorder","273345","2022-03-04","22:05:02",""
"1567219","22.423","0.003","22.423","0.003","20.454","0.004","90","","90","","90","","10284","3","","","295","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(mu3-Hydroxo)-(mu2-chloro)-tris(mu2-3-N,N-dimethylaminocaran-4-one-oxime- N,N',O)-tricopper(II) chloride octahydrate","(mu3-Hydroxo)-(mu3-chloro)-tris(mu2-4-(dimethylamino)-4,7,7-trimethylbicyclo [4.1.0]heptan-3-one oxime-N,N',O)-tricopper(II) chloride octahydrate","","- C36 H80 Cl2 Cu3 N6 O12 -","- C36 H Cl2 Cu3 N6 O12 -","- C288 H8 Cl16 Cu24 N48 O96 -","8","1","","Larionov, S. V.; Myachina, L. I.; Romanenko, G. V.; Tkachev, A. V.; Sheludyakova, L. A.; Ikorskii, V. N.; Boguslavskii, E. G.","Synthesis, Crystal and Molecular Structures, and Properties of Optically Active Copper(II) Complexes with 3-N,N-Dimethylaminocaran-4-one-oxime","Russian Journal of Coordination Chemistry","2001","27","6","423","432","10.1023/A:1011395910599","","x-ray","","MoKα","","","0.054","","","","0.151","","","","","","","","","","has coordinates","276544","2022-07-04","19:54:52",""
"1567666","14.7104","0.0007","14.7104","0.0007","23.995","0.002","90","","90","","90","","5192.4","0.6","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C56 H64 N8 O8 -","- C56 H64 N8 O8 -","- C224 H256 N32 O32 -","4","0.5","","Bansal, Deepak; Kundu, Arup; Singh, Vijay Pal; Pal, Arun K.; Datta, Ayan; Dasgupta, Jyotishman; Mukhopadhyay, Pritam","A highly contorted push-pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission.","Chemical science","2022","13","39","11506","11512","10.1039/d2sc04187a","","","0.71073","MoKα","","0.1962","0.0778","","","0.1959","0.2363","","","","","","0.88","","","","has coordinates","278979","2022-11-07","05:20:02",""
"1568268","9.9702","0.0001","9.9702","0.0001","48.7176","0.0012","90","","90","","90","","4842.77","0.14","173","2","173","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C29 H30 O5 -","- C29 H30 O5 -","- C232 H240 O40 -","8","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","1.54178","CuKα","","0.0279","0.0274","","","0.07","0.0704","","","","","","1.064","","","","has coordinates,has disorder","281379","2023-03-04","17:59:37",""
"1568326","12.716","0.003","12.716","0.003","39.812","0.008","90","0.03","90","0.03","90","0.03","6437","3","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C8 H41 B40 Cu4 I3 S4 -","- C8 H41 B40 Cu4 I3 S4 -","- C32 H164 B160 Cu16 I12 S16 -","4","0.5","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.1123","0.1061","","","0.2772","0.2841","","","","","","1.082","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1569189","9.9901","0.0002","9.9901","0.0002","15.6499","0.0004","90","","90","","90","","1561.89","0.06","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C9 H21 Br3 N4 -","- C9 H21 Br3 N4 -","- C36 H84 Br12 N16 -","4","0.5","","Qaroush, Abdussalam K.; Eftaiha, Ala'a F.; Al-Qaisi, Feda'a M.; Assaf, Khaleel I.; Hammad, Suhad B.; Al-Anati, Malak H.; Radwan, Enas S.; Awwadi, Firas F.","Newly synthesized imidazolium precursors for CO2 utilization and sequestration: aprotic versus protic salts","Catalysis Science & Technology","2023","13","11","3245","3257","10.1039/D3CY00270E","","x-ray","0.71073","MoKα","","0.0551","0.036","","","0.0514","0.0556","","","","","","1.06","","","","has coordinates","284829","2023-07-05","08:27:18",""
"1569895","10.2539","0.0005","10.2539","0.0005","30.4058","0.0015","90","","90","","90","","3196.9","0.3","193","2","193","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H16 Co N2 O10 -","- C14 H16 Co N2 O10 -","- C112 H128 Co8 N16 O80 -","8","1","","Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng","A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.","IUCrJ","2023","10","6","","","10.1107/S2052252523007650","","","1.34139","GaKα","","0.0306","0.0297","","","0.0948","0.096","","","","","","0.858","","","","has coordinates","286397","2023-09-19","01:48:00",""
"1570281","8.0959","0.0001","8.0959","0.0001","71.2184","0.0014","90","","90","","90","","4667.91","0.12","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","Nandrolone_phenylpropionate","19_Nortestosterone_17β_phenylpropionate","","- C27 H34 O3 -","- C27 H34 O3 -","- C216 H272 O24 -","8","1","","Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta","Crystal Structure and Intermolecular Energy for Some Nandrolone Esters.","Molecules (Basel, Switzerland)","2023","28","20","7179","","10.3390/molecules28207179","","x-ray","1.54184","CuKα","","0.1089","0.0694","","","0.2045","0.2338","","","","","","1.023","","","","has coordinates","287465","2023-11-07","03:03:19",""
"1570866","10.1199","0.0001","10.1199","0.0001","38.9943","0.0004","90","","90","","90","","3993.5","0.07","100","0.1","100","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","R-Sb","","- C27 H60 Cl6 N2 O12 Sb -","- C27 H60 Cl6 N2 O12 Sb -","- C108 H240 Cl24 N8 O48 Sb4 -","4","0.5","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","","1.54178","CuKα","","0.0652","0.0639","","","0.1861","0.1875","","","","","","1.075","","","","has coordinates","290840","2024-04-04","22:46:23",""
"1570990","9.3339","0.0001","9.3339","0.0001","31.9618","0.0006","90","","90","","90","","2784.57","0.07","100","0.1","100","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","erbium(III)@yttrium(III)bis(tris-pyrazolylborato)(tropolonato)","","- C25 H25 B2 Er0.04 N12 O2 Y0.96 -","- C25 H25 B2 Er0.041 N12 O2 Y0.959 -","- C100 H100 B8 Er0.164 N48 O8 Y3.836 -","4","0.5","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.0271","0.0258","","","0.0666","0.0672","","","","","","1.078","","","","has coordinates,has disorder","290871","2024-04-04","22:58:37",""
"1571298","16.5216","0.0001","16.5216","0.0001","20.1532","0.0003","90","","90","","90","","5501.08","0.09","298","2","298.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H28 F3 N O2 -","- C32 H28 F3 N O2 -","- C256 H224 F24 N8 O16 -","8","1","","Lu, Yi-Nan; Che, Chao; Zhen, Guangjin; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Visible-light-enabled stereoselective synthesis of functionalized cyclohexylamine derivatives <i>via</i> [4 + 2] cycloadditions.","Chemical science","2024","15","17","6507","6514","10.1039/d4sc00667d","","x-ray","1.54178","CuKα","","0.0845","0.0614","","","0.1844","0.2011","","","","","","1.049","","","","has coordinates","291564","2024-05-05","01:37:05",""
"1571460","15.6496","0.0008","15.6496","0.0008","18.1435","0.0013","90","","90","","90","","4443.5","0.5","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H68 N2 S4 Zn -","- C44 H68 N2 S4 Zn -","- C176 H272 N8 S16 Zn4 -","4","0.5","","Seo, W. T. Michael; Riffel, Madeline N.; Oliver, Allen G.; Tsui, Emily Y.","Metal-cation-induced shifts in thiolate redox and reduced sulfur speciation.","Chemical science","2024","15","19","7332","7341","10.1039/d4sc01025f","","","0.71073","MoKα","","0.0513","0.0445","","","0.097","0.1018","","","","","","1.076","","","","has coordinates,has disorder","292884","2024-07-05","14:15:56",""
"1572654","7.341","0.0001","7.341","0.0001","64.8549","0.0013","90","","90","","90","","3495.05","0.1","150","0.1","150","0.1","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(1<i>R</i>,2<i>S</i>,4a<i>R</i>,6<i>S</i>,8<i>R</i>,8a<i>S</i>)-1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid","","- C18 H28 O4 -","- C18 H28 O4 -","- C144 H224 O32 -","8","1","BV4052","Botha, Christo J.; Fouche, Gerda; Malan, Frederick P.","(1R,2S,4aR,6S,8R,8aS)-1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid","IUCrData","2024","9","9","","","10.1107/S241431462400885X","","x-ray","1.54184","CuKα","","0.0458","0.0442","","","0.0966","0.0973","","","","","","1.131","","","","has coordinates,has disorder","294845","2024-09-21","02:42:45",""
"1572705","15.9463","0.0003","15.9463","0.0003","35.1878","0.0011","90","","90","","90","","8947.7","0.4","170","2","170","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C48 H48 Cl3.5 F2 N4 -","- C48 H48 Cl3.5 F2 N4 -","- C384 H384 Cl28 F16 N32 -","8","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","","0.71073","MoKα","","0.0889","0.0757","","","0.2198","0.2383","","","","","","1.072","","","","has coordinates,has disorder","296365","2024-12-06","16:25:43",""
"1573261","14.7208","0.0002","14.7208","0.0002","20.8598","0.0005","90","","90","","90","","4520.36","0.14","150","0.4","150","0.4","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C16 H24 Pt S8 -","- C16 H24 Pt S8 -","- C128 H192 Pt8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, Hengbo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes†","Nanoscale","2024","","","","","10.1039/D4NR04048A","","","1.54184","CuKα","","0.0475","0.0445","","","0.1027","0.1049","","","","","","1.043","","","","has coordinates","296077","2024-11-23","01:09:49",""
"2001360","12.577","0.002","12.577","0.002","29.893","0.004","90","","90","","90","","4728.5","1.2","","","","","","","","","","","","4","P 43 21 2","P 41n 2abw","","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C200 H248 N24 O48 -","8","1","HH1000","Wang, B.; Takusagawa, F.; Mertes, M. P.; Bowman-James, K.","Structure of the product from a novel cyclization reaction involving a C(6)-substituted uridine analog","Acta Crystallographica Section C","1993","49","9","1568","1571","10.1107/S0108270193004123","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003430","12.286","0.003","12.286","0.003","45.744","0.002","90","","90","","90","","6905","2","222","","","","","","","","","","natural product","4","P 43 21 2","P 4nw 2abw","","","","","- C68 H106 Na2 O16 -","- C68 H106 Na2 O16 -","- C272 H424 Na8 O64 -","4","0.5","CR1138","Shui, X.; Eggleston, D. S.","Two Lasalocid Sodium Salts","Acta Crystallographica Section C","1995","51","5","805","809","10.1107/S0108270194010450","","","1.54184","CuKα","","","0.055","","","0.079","","","","","1.763","1.763","","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2004457","10.22","0.001","10.22","","20.973","0.002","90","","90","","90","","2190.6","0.3","294.2","","294.2","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C10 H28 Cl2 N2 O14 Pt -","- C10 H28 Cl2 N2 O14 Pt -","- C40 H112 Cl8 N8 O56 Pt4 -","4","0.5","AB1271","Whalen, J. T.; Chang, S.-C.; Norman, R. E.","Dichloro(ethylenediaminetetraacetic acid-<i>N</i>,<i>N</i>')platinum(II)‒Water (1/6)","Acta Crystallographica Section C","1996","52","2","297","300","10.1107/S0108270195009243","","","0.7107","MoKα","","","0.0416","","","0.0527","","","","","1.989","1.989","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2006273","9.8543","0.0007","9.854","0.002","28.457","0.004","90","0.01","90","0.009","90","0.009","2763.3","0.7","293","","293","","","","","","","","","4","P 43 21 2","P 41n 2abw","","","2-(methyl(2-thienyl)methylidenehydrazino)quinoline","","- C15 H13 N3 S -","- C15 H13 N3 S -","- C120 H104 N24 S8 -","8","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.119","0.037","","","0.043","","","","","1.242","1.242","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007428","9.8769","0.0001","9.8769","0.0001","35.3642","0.0002","90","","90","","90","","3449.89","0.05","223","2","223","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H18 N3 O -","- C20 H18 N3 O -","- C160 H144 N24 O8 -","8","1","FR1077","George, Mathew; Das, Suresh; Ashokan, C. V.; Rath, Nigam P.; George, M. V.","2-Phenyl-3-(5,6,7,7a-tetrahydro-1<i>H</i>,3<i>H</i>-pyrrolo[1,2-<i>c</i>]oxazol-3-ylidene)-1-propene-1,1-dicarbonitrile and 4-(4-Methoxyphenyl)-2,6-bis(methylthio)pyridine-3-carbonitrile","Acta Crystallographica Section C","1998","54","7","1033","1036","10.1107/S0108270197018398","","","0.71073","MoKα","","0.0784","0.0504","","0.1175","0.103","","","","1.043","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008043","12.852","0.002","12.852","0.002","13.037","0.003","90","","90","","90","","2153.4","0.7","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H33 Cl4 Co N4 O3 -","- C12 H30 Cl4 Co N4 O3 -","- C48 H120 Cl16 Co4 N16 O12 -","4","0.5","BK1391","Jeong, Jong Hwa; Kim, Dong Yeub; Lee, Dong Jin; Lee, Bae Wook; Doh, Myung Ki","Oxonium Λ-{<i>N</i>,<i>N</i>'-bis[2(<i>S</i>)-pyrrolidinylmethyl]ethane-1,2-diamine}-<i>cis</i>-α-dichlorocobalt(III) dichloride dihydrate","Acta Crystallographica Section C","1999","55","1","56","58","10.1107/S0108270198009421","","","0.71073","MoKα","","0.046","0.042","","","","0.088","","","","","","1.084","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008090","8.0916","0.0009","8.0916","0.0009","30.078","0.004","90","","90","","90","","1969.3","0.4","293","2","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","2-(2-Pyrrolyl)-benzothiazole","","- C11 H8 N2 S -","- C11 H8 N2 S -","- C88 H64 N16 S8 -","8","1","KA1289","Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Fišer-Jakić, Lelja","2-(2-Pyrrolyl)-1,3-benzothiazole","Acta Crystallographica Section C","1999","55","1","119","120","10.1107/S0108270198011731","","","0.71073","MoKα","","0.2326","0.0552","","","","0.0865","","","","","","0.899","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008732","8.321","0.008","8.321","0.008","48.92","0.02","90","","90","","90","","3387","5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(R)-Spiro[(2R)-N-acetyl-2-phenyl-1,3-thiazolidine-5,3'-(3a'R,6a'S)- 5',6'-dimethyl-3a',6a'-dihydro-3H-furo[2,3-b]furan-2-one]","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","1","SK1275","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Barbosa, D. M.; Soares, M. I. L.; Pinho e Melo, T. M. V. D.; Rocha Gonsalves, A. M. d'A.","(<i>R</i>)-Spiro[(2<i>R</i>)-<i>N</i>-acetyl-2-phenyl-1,3-thiazolidine-4,3'-(3a'<i>R</i>,6a'<i>S</i>)-5',6a'-dimethyl-3a',-6a'-dihydro-3<i>H</i>-furo[2,3-<i>b</i>]furan-2-one]","Acta Crystallographica Section C","1999","55","7","1094","1096","10.1107/S010827019900308X","","","1.5418","CuKα","","0.0518","0.0444","","","","0.1212","","","","","","1.048","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008967","14.945","0.002","14.945","0.002","39.572","0.002","90","","90","","90","","8838.5","1.7","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(2S,3S,9S,10S)-2,3,9,10-Tetraphenyl-1,4,8,11-tetraoxacyclotetradecane-6,13-d ione","","- C34 H32 O6 -","- C34 H32 O6 -","- C408 H384 O72 -","12","1.5","SK1289","Choong Eui Song; Yang Hee Kim; Kwan Mook Kim; Dae Yoon Chi; Jong Hwa Jeong","Cocrystallization of two conformers of (2<i>S</i>,3<i>S</i>,9<i>S</i>,10<i>S</i>)-2,3,9,10-tetraphenyl-1,4,8,11-tetraoxacyclotetradecane-6,13-dione","Acta Crystallographica Section C","1999","55","9","1574","1575","10.1107/S0108270199006976","","","0.71073","MoKα","","0.1353","0.0468","","","","0.1496","","","","","","0.999","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010977","13.378","0.002","13.378","0.002","18.803","0.006","90","","90","","90","","3365.2","1.3","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","1","SX1081","Do Valle, N. T.; De Simone, C. A.; Pereira, M. A.; Goulart, M. O. F.","[1a(1aα,5β,9aα)]-1,1a,4,5,7,8,9,9a-Octahydro-3-hydroxy-1,1,2,5-tetramethyl-7-methylene-6<i>H</i>-cyclopropa[3,4]cyclohept[1,2-<i>e</i>]inden-6-one","Acta Crystallographica Section C","2000","56","5","566","567","10.1107/S0108270199016108","","","0.71073","MoKα","","0.0711","0.0573","","","","0.1249","","","","","","1.157","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011644","10.397","0.0015","10.397","0.0015","29.262","0.006","90","","90","","90","","3163.2","0.9","212","2","212","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","none","tetracis(diethyldithiocarbamato)tellurium(IV)","","- C20 H40 N4 S8 Te -","- C20 H40 N4 S8 Te -","- C80 H160 N16 S32 Te4 -","4","0.5","QA0439","Virovets, Alexander V.; Kalinina, Irina V.; Fedin, Vladimir P.; Fenske, Dieter","Tetragonal polymorphic modification of tetrakis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tellurium(IV)","Acta Crystallographica Section C","2000","56","12","e589","e590","10.1107/S0108270100015389","","","0.71073","MoKα","","0.04","0.029","","","","0.057","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012342","12.0038","0.0016","12.0038","0.0016","11.618","0.003","90","","90","","90","","1674.1","0.5","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Tetrabromo bisphenol A","3,3',5,5'-Tetrabromo-4,4'-dihydroxy-diphenyl-dimethyl-methane","","- C15 H12 Br4 O2 -","- C15 H12 Br4 O2 -","- C60 H48 Br16 O8 -","4","0.5","OS1139","Eriksson, Johan; Eriksson, Lars","2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol","Acta Crystallographica Section C","2001","57","11","1308","1312","10.1107/S0108270101012112","","","0.71073","MoKα","","0.105","0.039","","","","0.06","","","","","","0.814","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012571","11.678","0.003","11.678","0.002","8.6608","0.0012","90","","90","","90","","1181.1","0.4","293","2","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 N2 Ni O4 -","- C12 H8 N2 Ni O4 -","- C48 H32 N8 Ni4 O16 -","4","0.5","FR1362","Lu, Tong-Bu; Luck, Rudy L.","Interpenetrating nets in <i>cis</i>-bis(pyridine-4-carboxylate)nickel(II)","Acta Crystallographica Section C","2002","58","3","m152","m154","10.1107/S0108270102000859","","","0.71069","MoKα","","","0.029","","","","0.092","","","","","","1.18","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013302","8.123","0.002","8.123","0.002","23.502","0.006","90","","90","","90","","1550.7","0.7","173","2","173","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","2-(1H-pyrrol-2-yl)pyridine","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","1","KB1000","Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle","Five (1<i>H</i>-pyrrol-2-yl)pyridines","Acta Crystallographica Section C","2003","59","5","o263","o267","10.1107/S0108270103007042","","","0.71073","MoKα","","0.048","0.044","","","0.098","0.1","","","","","","1.16","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013748","8.0612","0.0004","8.0612","0.0004","36.648","0.003","90","","90","","90","","2381.5","0.3","297","2","297","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20 H10 F12 N2 O4 Zn -","- C20 H10 F12 N2 O4 Zn -","- C80 H40 F48 N8 O16 Zn4 -","4","0.5","DE1228","Juan Granifo; María Teresa Garland; Ricardo Baggio","<i>catena</i>-Poly[[bis(hexafluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","2","m97","m100","10.1107/S0108270104000198","","","0.71073","MoKα","","0.0731","0.0482","","","0.1196","0.1319","","","","","","0.937","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014587","10.5794","0.0004","10.5794","0.0004","14.0773","0.0012","90","","90","","90","","1575.58","0.16","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","N,N'-bis(ethoxythiocarbonyl)terephthalamide","O,O'-diethyl N,N'-(p-phenylenedicarbonyl)dithiocarbamate","","- C14 H16 N2 O4 S2 -","- C14 H16 N2 O4 S2 -","- C56 H64 N8 O16 S8 -","4","0.5","TA1474","Blewett, Gavin; Esterhuysen, Catharine; Bredenkamp, Martin W.; Koch, Klaus R.","The first bipodal thiocarbamic acid ester, <i>O</i>,<i>O</i>'-diethyl <i>N</i>,<i>N</i>'-(<i>p</i>-phenylenedicarbonyl)bis(thiocarbamate)","Acta Crystallographica Section C","2004","60","12","o862","o864","10.1107/S0108270104026587","","","0.71073","MoKα","","0.0444","0.0413","","","0.1025","0.1042","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014591","14.3886","0.0006","14.3886","0.0006","76.056","0.004","90","","90","","90","","15746","1.2","110","2","110","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","(R,R)-tricarbonyl-1κ^3^C-{μ-1(η^6^):2κ^2^P,P'-1-(diphenylphosphino)-2-[1- (diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate","","- C42.75 H39 B Cr F4 O3.75 P2 Rh -","- C42.75 H39 B Cr F4 O3.75 P2 Rh -","- C684 H624 B16 Cr16 F64 O60 P32 Rh16 -","16","2","TR1096","Braun, Wolfgang; Calmuschi, Beatrice; Drexler, Hans-Joachim; Englert, Ulli; Heller, Detlef; Salzer, Albrecht","(<i>R</i>,<i>R</i>)-Tricarbonyl{η^6^-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}chromium(0), (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate and (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","Acta Crystallographica Section C","2004","60","10","m532","m536","10.1107/S0108270104020773","","","0.71073","MoKα","","0.1151","0.071","","","0.1552","0.1741","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015234","13.0444","0.0005","13.0444","0.0005","17.8599","0.0009","90","","90","","90","","3039","0.2","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","catena-poly[tetraethylammonium [tetracyanoiron(III)-μ-cyano-[bis(ethylenediamine)cadmium(II)]-μ-cyano] tetrahydrate]","","- C18 H44 Cd Fe N11 O4 -","- C18 H44 Cd Fe N11 O4 -","- C72 H176 Cd4 Fe4 N44 O16 -","4","0.5","FA3001","Miroslava Maĺarová; Juraj Černák; Werner Massa","One-dimensional structure of <i>catena</i>-poly[tetraethylammonium [tetracyanoiron(III)-μ-cyano-[bis(ethylenediamine)cadmium(II)]-μ-cyano] tetrahydrate]","Acta Crystallographica Section C","2006","62","4","m119","m121","10.1107/S0108270106003453","","","0.71073","MoKα","","0.0239","0.023","","","0.0626","0.0631","","","","","","1.034","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015472","12.2857","0.0001","12.2857","0.0001","26.1898","0.0002","90","","90","","90","","3953.05","0.05","100","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","N-[(3R)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]- (1S,2R)-bornane-10,2-sultam 0.15-hydrate","","- C18 H26.302 N4 O5.151 S -","- C18 H26.302 N4 O5.151 S -","- C144 H210.416 N32 O41.208 S8 -","8","1","DN3017","Elemes, Yiannis; Muir, Kenneth W.","Hydrated forms of <i>N</i>-[(3<i>R</i>)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1<i>S</i>,2<i>R</i>)-bornane-10,2-sultam and its enantiomer","Acta Crystallographica Section C","2006","62","8","o458","o460","10.1107/S0108270106019524","","","0.71073","MoKα","","","0.0296","","","","0.0773","","","","","","1.027","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2015639","9.9296","0.0001","9.9296","0.0001","34.0538","0.0006","90","","90","","90","","3357.6","0.08","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(S,S)-4-amino-3,5-bis(1-hydroxyethyl)-1,2,4-triazole‒ (S,S)-1,2-bis(2-hydroxypropionyl)hydrazine (1/1)","","- C12 H24 N6 O6 -","- C12 H24 N6 O6 -","- C96 H192 N48 O48 -","8","1","GA3025","Beckmann, Udo; Brooker, Sally","1:1 Adduct of (<i>S</i>,<i>S</i>)-4-amino-3,5-bis(1-hydroxyethyl)-1,2,4-triazole with (<i>S</i>,<i>S</i>)-1,2-bis(2-hydroxypropionyl)hydrazine stabilized by eight hydrogen bonds","Acta Crystallographica Section C","2006","62","11","o653","o655","10.1107/S0108270106038583","","","0.71073","MoKα","","0.0354","0.0337","","","0.081","0.0818","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015752","10.9665","0.0014","10.9665","0.0014","30.796","0.006","90","","90","","90","","3703.7","1","120","2","120","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","3-tert-butyl-5-[(4-methoxybenzyl)amino]-1-phenyl-1H-pyrazole","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C168 H200 N24 O8 -","8","1","LN3029","Abonía, Rodrigo; Rengifo, Emerson; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 3-<i>tert</i>-butyl-5-[(4-methoxybenzyl)amino]-1-phenyl-1<i>H</i>-pyrazole and tetramolecular hydrogen-bonded aggregates in 5-[(benzotriazol-1-ylmethyl)(4-methoxybenzyl)amino]-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2007","63","1","o29","o32","10.1107/S0108270106050335","","","0.71073","MoKα","","0.0888","0.0515","","","0.1042","0.1202","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016209","6.8022","0.0004","6.8022","0.0004","12.3759","0.0007","90","","90","","90","","572.63","0.06","295","2","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","yttrium pyrogermanate","diyttrium digermanate","","- Ge2 O7 Y2 -","- Ge2 O7 Y2 -","- Ge8 O28 Y8 -","4","0.5","IZ3026","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Yttrium pyrogermanate, Y~2~Ge~2~O~7~","Acta Crystallographica Section C","2007","63","10","i93","i95","10.1107/S0108270107042825","","","0.71073","MoKα","","","0.0203","","","","0.0512","","","","","","1.193","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016900","10.677","0.001","10.677","0.001","35.268","0.003","90","","90","","90","","4020.5","0.6","295","2","295","2","","","","","","","","4","P 43 21 2","","","","(5α,12β,19α)-2,3,6,7-tetradehydro-8-oxo-aspidospermidine-3-carboxylic acid methyl ester (8-oxotabersonine).'C21 H22 N2 O3 . 1/2C4 H8 O2'","","- C23 H26 N2 O4 -","- C23 H22 N2 O4.5 -","- C184 H176 N16 O36 -","8","1","NA1036","Palmisano, G.; Pilati, T.","Structures of the natural alkaloids vincadifformine and 8-oxotabersonine","Acta Crystallographica Section C","1993","49","9","1688","1691","10.1107/S0108270193003130","","","0.71069","MoKα","","","0.06","","","0.056","","","","","1.78","1.78","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017151","10.7749","0.0013","10.7749","0.0013","30.868","0.003","90","","90","","90","","3583.7","0.7","120","2","120","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","3-<i>tert</i>-butyl-5-(4-methylbenzylamino)-1-phenyl-1<i>H</i>-pyrazole","","- C21 H25 N3 -","- C21 H25 N3 -","- C168 H200 N24 -","8","1","SK3324","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Seven 5-benzylamino-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazoles: unexpected isomorphisms, and hydrogen-bonded supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2009","65","6","o303","o310","10.1107/S0108270109018964","","","0.71073","MoKα","","0.1056","0.0515","","","0.0994","0.1188","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017336","8.5265","0.0008","8.5265","0.0008","24.388","0.002","90","","90","","90","","1773","0.3","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","pyridinium trifluoromethanesulfonate","","- C6 H6 F3 N O3 S -","- C6 H6 F3 N O3 S -","- C48 H48 F24 N8 O24 S8 -","8","1","GA3132","Goldberg, Israel","Coulombic interactions, hydrogen bonding and supramolecular chirality in pyridinium trifluoromethanesulfonate","Acta Crystallographica Section C","2009","65","10","o509","o511","10.1107/S0108270109034866","","","0.71073","MoKα","","0.0994","0.0594","","","0.1095","0.1206","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017850","9.2898","0.0003","9.2898","0.0003","48.9696","0.0014","90","","90","","90","","4226.1","0.2","122","1","122","1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","Δ(-)~578~-bis(en)[(S-Asp(OEt)O)]cobalt(III) perchlorate monohydrate","Δ(-)~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato- κ^2^<i>N</i>,<i>O</i>^1^]cobalt(III) bis(perchlorate) monohydrate","","- C10 H28 Cl2 Co N5 O13 -","- C10 H28 Cl2 Co N5 O13 -","- C80 H224 Cl16 Co8 N40 O104 -","8","1","LG3040","Hammershøi, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Mølgaard, Anne","Diastereoisomeric β-ethyl aspartate‒cobalt(III) complexes: Λ(+)~578~- and Δ({-})~578~-bis(ethane-1,2-diamine)[β-ethyl (<i>S</i>)-aspartato]cobalt(III) bis(perchlorate) monohydrate","Acta Crystallographica Section C","2010","66","11","m319","m322","10.1107/S0108270110036851","","","0.71073","MoKα","","0.0309","0.0264","","","0.0608","0.0635","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018050","9.5909","0.0001","9.5909","0.0001","33.2924","0.0009","90","","90","","90","","3062.41","0.09","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","<i>trans</i>-Dichloridobis(4,8-dimethyl-2-phenyl-2- phosphabicyclo[3.3.1]nonane-κ<i>P</i>)platinum(II)","","- C32 H46 Cl2 P2 Pt -","- C32 H46 Cl2 P2 Pt -","- C128 H184 Cl8 P8 Pt4 -","4","0.5","BI3013","Bungu, Peter N.; Kirsten, Leo; Otto, Stefanus","<i>trans</i>-Dichloridobis(4,8-dimethyl-2-phenyl-2-phosphabicyclo[3.3.1]nonane-κ<i>P</i>)platinum(II)","Acta Crystallographica Section C","2011","67","5","m154","m156","10.1107/S0108270111013242","","","0.71073","MoKα","","0.0553","0.042","","","0.0645","0.0674","","","","","","1.146","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:00",""
"2018480","14.6316","0.0009","14.6316","0.0009","6.6239","0.0004","90","","90","","90","","1418.07","0.15","299","","299","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","<i>catena</i>-Poly[[[(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-<i>L</i>-tartrato- κ^4^<i>O</i>^1^,O^2^:<i>O</i>^3^,<i>O</i>^4^] tetrahydrate]","","- C6 H18 Cu N4 O12 -","- C6 H18 Cu N4 O12 -","- C24 H72 Cu4 N16 O48 -","4","0.5","SF3165","Bélombé, Michel M.; Nenwa, Justin; Wankap Kouamo, Jean S. T.; Ponou, Siméon; Fischer, Andreas","<i>catena</i>-Poly[[[(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-<small>L</small>-tartrato-κ^4^<i>O</i>^1^,O^2^:<i>O</i>^3^,<i>O</i>^4^] tetrahydrate]: a chiral nanochannel framework hosting solvent water molecules","Acta Crystallographica Section C","2012","68","5","m131","m134","10.1107/S0108270112016435","","","0.71073","MoKα","","0.0339","0.0236","","","0.0497","0.0525","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018740","9.7292","0.0002","9.7292","0.0002","34.3125","0.0013","90","","90","","90","","3247.93","0.16","298","2","298","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl- κ<i>N</i>^3^)pyridinido-κ<i>N</i>]zinc(II)","","- C38 H24 N10 Zn -","- C38 H24 N10 Zn -","- C152 H96 N40 Zn4 -","4","0.5","FA3291","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","A new polymorph of bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridinido-κ<i>N</i>]zinc(II)","Acta Crystallographica Section C","2013","69","1","47","51","10.1107/S0108270112050482","","","0.71073","MoKα","","0.0545","0.0383","","","0.0875","0.0901","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019326","8.628","0.003","8.628","0.003","24.621","0.01","90","","90","","90","","1832.8","1.2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Poly[bis(μ~3~-3,5-diethyl-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)trisilver nitrate]","","- C12 H20 Ag3 N7 O3 -","- C12 H20 Ag3 N7 O3 -","- C48 H80 Ag12 N28 O12 -","4","0.5","YF3050","Jiang, Feng; Dai, Lin; Shi, Yiqiang; Wang, Zhixiang","A three-dimensional chiral crystal structure constructed from a chiral triazolate ligand showing an SrSi~2~ topology: poly[bis(μ~3~-3,5-diethyl-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)trisilver nitrate]","Acta Crystallographica Section C","2013","69","12","1485","1487","10.1107/S0108270113029788","","","0.71073","MoKα","","0.0295","0.0285","","","0.0627","0.0632","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2021045","7.559","0.002","7.559","0.002","44.103","0.012","90","","90","","90","","2520","1.2","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Entecavir","2-Amino-9-[(1<i>S</i>,3<i>R</i>,4<i>S</i>)-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl]-1,9-dihydro-6<i>H</i>-purin-6-one","","- C12 H15 N5 O3 -","- C12 H15 N5 O3 -","- C96 H120 N40 O24 -","8","1","SK3678","Wang, Xiaojuan; Xu, Hai-Jiang; Jia, Xue-Dong; Yang, Yan-Tao; Zhang, Xiao-Jian","Crystal structure and Hirshfeld surface analysis of the anhydrous form of the nucleoside analogue entecavir","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002528","","","0.71073","MoKα","","0.0734","0.0528","","","0.1299","0.1402","","","","","","1.085","","","","has coordinates,has Fobs","206692","2020-10-21","18:00:00",""
"2021215","6.9584","0.0002","6.9584","0.0002","18.8979","0.0006","90","","90","","90","","915.02","0.05","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","<i>trans</i>-Cyclohexane-1,4-dicarboxamide","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C32 H56 N8 O8 -","4","0.5","LY3070","García-Reyes, Fernando; Fantoni, Adolfo C.; Barón, Máximo; Romano, Rosana M.; Punte, Graciela M.; Echeverría, Gustavo A.","Role of weak C—H···O and strong N—H···O intermolecular interactions on the high-symmetry molecular packing of <i>trans</i>-cyclohexane-1,4-dicarboxamide","Acta Crystallographica Section C","2018","74","10","1068","1078","10.1107/S2053229618011750","","","1.54184","CuKα","","0.0469","0.0442","","","","0.1295","","","","","","1.068","","","","has coordinates,has Fobs","211781","2020-10-21","18:00:00",""
"2021427","9.0917","0.0003","9.0917","0.0003","68.392","0.003","90","","90","","90","","5653.2","0.4","125","2","125","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","2-[Bis(3-methyl-1<i>H</i>-indol-2-yl)methyl]-6-methylphenol dimethyl sulfoxide disolvate","","- C30 H36 N2 O3 S2 -","- C30 H36 N2 O3 S2 -","- C240 H288 N16 O24 S16 -","8","1","FN3286","Cole, Wyatt; Hemmingson, Stephanie L.; Eisenberg, Audrey C.; Ulman, Catherine A.; Tanski, Joseph M.; Getzler, Yutan D. Y. L.","Synthesis and crystal structures of some bis(3-methyl-1<i>H</i>-indol-2-yl)(salicyl)methanes","Acta Crystallographica Section C","2019","75","1","65","69","10.1107/S2053229618017758","","","1.54178","CuKα","","0.0255","0.0254","","","0.0662","0.0663","","","","","","1.09","","","","has coordinates,has Fobs","213459","2020-10-21","18:00:00",""
"2021656","15.9167","0.0002","15.9167","0.0002","21.5498","0.0009","90","","90","","90","","5459.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","Poly[[bis{μ~3~-4-amino-3,5-bis[3-(pyridin-4-yl)phenyl]-1,2,4-triazole}cadmium(II)] bis(perchlorate) butanone sesquisolvate]","","- C54 H48 Cd Cl2 N12 O9.5 -","- C54 H48 Cd Cl2 N12 O9.5 -","- C216 H192 Cd4 Cl8 N48 O38 -","4","0.5","UK3178","Wang, Jia; You, Tianchao; Wang, Teng; Liu, Qikui; Ma, Jianping; Jin, Guoxia","Adsorption behaviour of a CdII‒triazole MOF for butan-2-one in a single-crystal-to-single-crystal (SCSC) fashion: the role of hydrogen bonding and C—H...π interactions","Acta Crystallographica Section C Structural Chemistry","2019","75","6","806","","10.1107/S2053229619006788","","x-ray","1.54184","CuKα","","0.0579","0.0532","","","0.1452","0.1515","","","","","","1.072","","","","has coordinates,has Fobs","215628","2020-10-21","18:00:00",""
"2021930","8.358","0.0001","8.358","0.0001","54.6705","0.0007","90","","90","","90","","3819.07","0.08","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(<i>Z</i>)-2-{(<i>E</i>)-[1-(1<i>H</i>-Indol-3-yl)ethylidene]hydrazinylidene}-\ 1,2-diphenylethanone","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C192 H152 N24 O8 -","8","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.0429","0.0407","","","0.1111","0.113","","","","","","1.055","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2022616","10.70311","0.0001","10.70311","0.0001","68.7275","0.0008","90","","90","","90","","7873.19","0.14","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Turinabol acetic acid solvate hydrate","4-Chloro-17β-hydroxy-17α-methylandrosta-1,4-dien-3-one acetic acid hemisolvate hemihydrate","","- C42 H60 Cl2 O7 -","- C42 H60 Cl2 O7 -","- C336 H480 Cl16 O56 -","8","1","VP3023","Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe","Solid forms and β-cyclodextrin complexation of turinabol","Acta Crystallographica Section C","2022","78","5","305","313","10.1107/S2053229622004004","","","1.54184","CuKα","","0.0451","0.0417","","","0.0959","0.0978","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","275878","2022-06-07","13:20:50",""
"2022959","10.1905","0.0006","10.1905","0.0006","14.4709","0.001","90","","90","","90","","1502.75","0.16","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","Magnesium lithium boride (1.11/1.89/47.60)","","- B47.6 Li1.89 Mg1.11 -","- B47.61 Li1.913 Mg1.087 -","- B190.44 Li7.652 Mg4.348 -","4","0.5","NU2001","Pavlyuk, Nazar; Milashius, Viktoria; Kordan, Vasyl; Pavlyuk, Volodymyr","Synthesis, crystal structure and hydrogenation properties of Mg<sub><i>x</i></sub>Li<sub>3 - <i>x</i></sub>B<sub>48 - <i>y</i></sub> (<i>x</i> = 1.11, <i>y</i> = 0.40).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","10","13","10.1107/S2056989023009969","","","0.71073","MoKα","","0.0572","0.0531","","","0.1256","0.1294","","","","","","0.995","","","","has coordinates,has Fobs","289681","2024-02-05","12:05:06",""
"2022980","10.7755","0.0002","10.7755","0.0002","28.3769","0.0005","90","","90","","90","","3294.88","0.1","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","[Bis(<i>tert</i>-butyl)(propan-2-yl)phosphane selenide-κ<i>Se</i>]iodidogold","","- C11 H25 Au I P Se -","- C11 H25 Au I P Se -","- C88 H200 Au8 I8 P8 Se8 -","8","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0327","0.032","","","0.0782","0.0784","","","","","","1.421","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:57",""
"2100852","42.56","0.11","42.56","0.11","24.61","0.11","90","","90","","90","","44577","","","","","","","","","","","","","5","P 43 21 2","P 41n 2abw","","","","","- C78 H98 N30 O49 P7 -","","","8","1","LI0119","Cervi, A. R.; Langlois d'Estaintot, B.; Hunter, W. N.","Crystal and molecular structure of d(GTCTAGAC)","Acta Crystallographica Section B","1992","48","5","714","719","10.1107/S0108768192004117","","","1.5418","Cu","","","","","","","","","","","","","","","","warnings","has coordinates","249440","2020-10-21","18:00:00",""
"2101152","7.737","0.002","7.737","0.002","16.594","0.003","90","","90","","90","","993.3","0.4","","","","","","","","","","","","3","P 43 21 2","P 41n 2abw","","","","","- C11 H14 N2 -","- C11 H14 N3 -","- C44 H56 N12 -","4","0.5","SE0122","Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A.","Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures","Acta Crystallographica Section B","1994","50","3","363","373","10.1107/S0108768193008523","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101310","7.217","0.001","7.217","0.001","34.553","0.007","90","","90","","90","","1799.7","0.5","","","","","","","","","","","","5","P 43 21 2","P 41n 2abw","","","","","- C14 H26 Cu N2 O9 -","- C14 H32 Cu N2 O10 -","- C56 H128 Cu4 N8 O40 -","4","0.5","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101855","7.454","0.001","7.454","0.001","12.885","0.002","90","","90","","90","","716","","293","2","293","2","","","","","","","","4","P 43 21 2","P 41n 2abw","","magnesium hydroxide sulfate","magnesium hydroxide sulfate","","- H2 Mg3 O10 S2 -","- H2 Mg3 O10 S2 -","- H8 Mg12 O40 S8 -","4","0.5","BR0053","Fleet, Michael E.; Knipe, Stephen W.","Structure of Magnesium Hydroxide Sulfate [2MgSO~4~.Mg(OH)~2~], and Solid Solution in Magnesium Hydroxide Sulfate Hydrate and Caminite","Acta Crystallographica, Section B","1997","53","3","358","363","10.1107/S0108768197000104","","","0.70926","MoKα","","0.1352","0.0245","","0.0227","0.0227","","","","1.16","1.1604","1.1604","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102570","8.6093","0.0002","8.6093","0.0002","22.1566","0.0008","90","","90","","90","","1642.25","0.08","120","2","120","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","6,6'-diamino-α,α'-trehalose dihydrate","","- C12 H28 N2 O11 -","- C12 H28 N2 O11 -","- C48 H112 N8 O44 -","4","0.5","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.0585","0.0434","","","0.1156","0.1256","","","","","","0.975","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103362","6.518","","6.518","","16.08","","90","","90","","90","","683.148","","","","","","","","","","","","","4","P 43 21 2","","","","","","- C5 H11 B N2 -","- C5 H11 B N2 -","- C20 H44 B4 N8 -","4","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199519","2020-10-21","18:00:00",""
"2104854","7.8284","0.0002","7.8284","0.0002","42.8636","0.0009","90","","90","","90","","2626.85","0.11","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C120 H144 N16 O16 -","8","1","SO5040","Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald","Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives","Acta Crystallographica Section B","2010","66","6","662","677","10.1107/S0108768110040243","","","0.71073","MoKα","","0.057","0.0387","","","0.0827","0.0906","","","","","","1.051","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2108121","11.7872","0.0009","11.7872","0.0009","16.2851","0.0014","90","","90","","90","","2262.6","0.3","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C5 H16 N2 O3.5 S2 -","- C5 H16 N2 O3.4995 S2 -","- C40 H128 N16 O27.996 S16 -","8","1","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0674","0.0594","","","0.1592","0.1674","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","199062","2020-10-21","18:00:00",""
"2108201","7.743","0.0002","7.743","0.0002","43.5343","0.0014","90","","90","","90","","2610.06","0.13","150","2","150","2","","","","","","","synthesized by the authors","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.71073","MoKα","","0.0344","0.0304","","","0.0732","0.0754","","","","","","1.106","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108673","8.966","0.002","8.966","0.002","15.462","0.004","90","","90","","90","","1243","0.5","110","2","110","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C6 H12 N4 O6 P2 -","- C6 H12 N4 O6 P2 -","- C24 H48 N16 O24 P8 -","4","0.5","YB5027","Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.","Crystal structures and phase transitions of imidazolium hypodiphosphates","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620011439","","","0.71073","MoKα","","0.0326","0.0284","","","0.0631","0.0646","","","","","","1.084","","","","has coordinates,has Fobs","256763","2020-10-21","18:00:00",""
"2200105","8.985","0.0013","8.985","0.0013","12.265","0.003","90","","90","","90","","990.2","0.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H8 I2 Pt S2 -","- C4 H8 I2 Pt S2 -","- C16 H32 I8 Pt4 S8 -","4","0.5","BT6015","Johansson, Maria H.; Engelbrecht, Hendrik P.","<i>cis</i>-(1,4-Dithiane-<i>S</i>,<i>S</i>')diiodoplatinum(II)","Acta Crystallographica Section E","2001","57","3","m114","m116","10.1107/S1600536801002951","","","0.71073","MoKα","","0.037","0.026","","","","0.049","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200971","11.6756","0.0001","11.6756","0.0001","10.503","0.0001","90","","90","","90","","1431.77","0.02","203","2","203","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Bis[cyclopentadienyl(dicarbonyl)iron]mercury(II)","","- C14 H10 Fe2 Hg O4 -","- C14 H10 Fe2 Hg O4 -","- C56 H40 Fe8 Hg4 O16 -","4","0.5","TK6048","McIndoe, J. Scott; Nicholson, Brian K.","Bis[dicarbonyl(cyclopentadienyl)ferrio]mercury(II)","Acta Crystallographica Section E","2002","58","2","m53","m54","10.1107/S1600536802000818","","","0.71073","MoKα","","0.038","0.037","","","0.1","0.1","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200992","10.6183","0.0011","10.6183","0.0011","39.629","0.006","90","","90","","90","","4468.1","0.9","294","2","294","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(R)-N,N'-bis(3,5-di-tert-butylsalicylidene)-5,5',6,6',7,7',8,8'-octahydro- 1,1'-binaphthyl-2,2'-diamine","","- C50 H64 N2 O2 -","- C50 H64 N2 O2 -","- C200 H256 N8 O8 -","4","0.5","WW6003","Jia, Xian; Li, Xingshu; Zhou, Zhongyuan","A new chiral Schiff base: (<i>R</i>)-<i>N,N</i>'-bis(3,5-di-<i>tert</i>-butylsalicylidene)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diamine","Acta Crystallographica Section E","2002","58","2","o183","o184","10.1107/S160053680200082X","","","0.71073","MoKα","","0.1892","0.053","","","0.1202","0.1488","","","","","","0.998","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2202417","7.0388","0.0002","7.0388","0.0002","30.0684","0.0008","90","","90","","90","","1489.73","0.07","180","2","180","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(R)-(+)-2,2'-Diamino-1,1'-binaphthalene","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","0.5","CF6256","Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G.","(<i>R</i>)-(+)-2,2'-Diamino-1,1'-binaphthyl","Acta Crystallographica Section E","2003","59","7","o910","o912","10.1107/S1600536803011681","","","0.71073","MoKα","","0.0428","0.0365","","","0.0952","0.0999","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202440","8.0474","0.0007","8.0474","0.0007","25.518","0.003","90","","90","","90","","1652.6","0.3","296","1","296","1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","dichloro[(6R,7S,8S,14R)-(-)-α-isosparteine-κ^2^N,N']zinc(II)","dichloro[(6R,7S,8R,14S)-1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14- methano-2H,6H-dipyrido[1,2-a;1',2'-e][1,5]diazocine-κ^2^N,N']zinc(II)","","- C15 H26 Cl2 N2 Zn -","- C15 H26 Cl2 N2 Zn -","- C60 H104 Cl8 N8 Zn4 -","4","0.5","CF6282","Alcántara-Flores, José Luis; Bernès, Sylvain; Reyes-Ortega, Yasmi; Zamorano-Ulloa, Rafael","Dichloro[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>R</i>)-({-})-α-isosparteine-κ^2^<i>N,N</i>']zinc(II)","Acta Crystallographica Section E","2003","59","11","m988","m990","10.1107/S1600536803022414","","","0.71073","MoKα","","0.047","0.0318","","","0.0603","0.065","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203222","6.3657","0.0016","6.3657","0.0016","52.125","0.013","90","","90","","90","","2112.2","0.9","297","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","2,5,6-trichloro-4-iodoisophthalonitrile","","- C8 Cl3 I N2 -","- C8 Cl3 I N2 -","- C64 Cl24 I8 N16 -","8","1","OM6205","Britton, Doyle","2,5,6-Trichloro-4-iodoisophthalonitrile","Acta Crystallographica Section E","2004","60","2","o184","o186","10.1107/S1600536804000133","","","0.71073","MoKα","","0.069","0.05","","","0.092","0.095","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2204741","9.868","0.001","9.868","0.001","12.801","0.002","90","","90","","90","","1246.6","0.3","213","2","213","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","TERPYRIDINE TRIOXIDE","2,2':6',2''-Terpyridine N,N',N''-trioxide","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C60 H44 N12 O12 -","4","0.5","LH6304","McKay, Scott E.; Wheeler, Kraig A.; Blackstock, Silas C.","2,2':6',2''-Terpyridine N,N',N''-trioxide","Acta Crystallographica, Section E","2004","60","12","2258","2260","10.1107/S160053680402793X","","","0.71073","MoKα","","0.0359","0.0326","","","0.0805","0.0822","","","","","","1.07","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2206886","8.843","0.0005","8.843","","54.486","0.003","90","","90","","90","","4260.7","0.3","295","2","295","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","<i>S</i>-(-)-1,1'-Bi-2-naphthol dimethylformamide sesquisolvate","","- C24.5 H24.5 N1.5 O3.5 -","- C24.5 H24.5 N1.5 O3.5 -","- C196 H196 N12 O28 -","8","1","BT6744","Yuan, Ji-Xin; Song, Xin-Yuan; Ng, Seik Weng","(<i>S</i>)-(‒)-1,1'-Bi-2-naphthol dimethylformamide sesquisolvate","Acta Crystallographica Section E","2005","61","10","o3459","o3460","10.1107/S1600536805030370","","","0.71073","MoKα","","0.0795","0.0762","","","0.1909","0.193","","","","","","1.373","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2206887","5.314","0.0003","5.314","0.0003","15.536","0.0012","90","","90","","90","","438.71","0.05","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Malonamide","Malonamide","","- C3 H6 N2 O2 -","- C3 H6 N2 O2 -","- C12 H24 N8 O8 -","4","0.5","BT6745","Nichol, Gary S.; Clegg, William","Malonamide: a tetragonal polymorph","Acta Crystallographica Section E","2005","61","10","o3424","o3426","10.1107/S1600536805030539","","","0.71073","MoKα","","0.0336","0.0316","","","0.0793","0.0821","","","","","","1.232","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207351","7.9421","0.0003","7.9421","","29.028","0.001","90","","90","","90","","1831","0.09","295","2","295","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Validoxylamine hydrochloride dihydrate","(+)-(Z)-(1S,2S,3S,4R,1'S,2'S,3'S,4'R,5'R)-2,3,4-Trihydroxy-5-(hydroxymethyl)- N-[2',3',4'-trihydroxy-5'-(hydroxymethyl)cyclohex-1'-yl]cyclohex-5-en-1-aminium chloride dihydrate","","- C14 H30 Cl N O10 -","- C14 H30 Cl N O10 -","- C56 H120 Cl4 N4 O40 -","4","0.5","SU6225","Chang, Hong-Jie; Feng, Xiao-Long; Zhu, Jia-Rong; Ng, Seik Weng","(+)-(<i>Z</i>)-(1<i>S</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>,1'<i>S</i>,2'<i>S</i>,3'<i>S</i>,4'<i>R</i>,5'<i>R</i>)-2,3,4-Trihydroxy-5-(hydroxymethyl)-<i>N</i>-[2',3',4'-trihydroxy-5'-(hydroxymethyl)cyclohex-1'-yl]cyclohex-5-en-1-aminium chloride dihydrate","Acta Crystallographica Section E","2005","61","11","o3839","o3841","10.1107/S1600536805033891","","","0.71073","MoKα","","0.0401","0.0379","","","0.092","0.0934","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207533","10.5135","0.0005","10.5135","0.0005","41.618","0.003","90","","90","","90","","4600.2","0.5","299","2","273","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Quininium S-2-chloro-n-butyrate","6'-methoxy (8α, 9R) Cinchonan-9-ol (2s)-2-chloro-Butanoate","","- C24 H31 Cl N2 O4 -","- C24 H31 Cl N2 O4 -","- C192 H248 Cl8 N16 O32 -","8","1","FL6199","Samas, Brian; Blackburn, Anthony C.; Kreuchauf, Kenneth C.","Quininium (<i>S</i>)-2-chloro-<i>n</i>-butyrate","Acta Crystallographica Section E","2005","61","12","o3983","o3984","10.1107/S1600536805035294","","","0.71073","MoKα","","0.0589","0.0507","","","0.1017","0.1051","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207571","8.1925","0.0003","8.1925","0.0003","35.462","0.003","90","","90","","90","","2380.1","0.2","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","2-(2H-Benzotriazol-2-yl)-1-phenylethanone","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","IS6143","Shi-Ying Wang; Jun Wan; Bo Yang; Xue-Mei Li; Shu-Sheng Zhang","2-(2<i>H</i>-Benzotriazol-2-yl)-1-phenylethanone","Acta Crystallographica Section E","2005","61","12","o4056","o4057","10.1107/S1600536805036020","","","0.71073","MoKα","","0.0508","0.042","","","0.0936","0.0975","","","","","","1.197","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208610","17.1925","0.0016","17.1925","0.0016","13.7715","0.0019","90","","90","","90","","4070.6","0.8","294","2","294","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","N-(3,5-di-tert-butyl-4-hydroxybenzyl)phthalimide","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C184 H216 N8 O24 -","8","1","HG2012","Xin, Chun-Wei; Li, Jiang-Sheng; Guo, Zhi-Xiong; Chen, Li-Gong","<i>N</i>-(3,5-Di-<i>tert</i>-butyl-4-hydroxybenzyl)phthalimide","Acta Crystallographica Section E","2006","62","4","o1273","o1275","10.1107/S1600536806007367","","","0.71073","MoKα","","0.0769","0.0378","","","0.0833","0.1056","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209173","8.8672","0.0004","8.8672","0.0004","42.287","0.002","90","","90","","90","","3324.9","0.3","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","(-)-8-phenylmenthol chloroacetate","(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl chloroacetate","","- C18 H25 Cl O2 -","- C18 H25 Cl O2 -","- C144 H200 Cl8 O16 -","8","1","GK2007","Florian Sieder; Eichinger, Karl; Mereiter, Kurt","(1<i>R</i>,2<i>S</i>,5<i>R</i>)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl chloroacetate","Acta Crystallographica Section E","2006","62","6","o2291","o2292","10.1107/S1600536806016928","","","0.71073","MoKα","","0.0337","0.033","","","0.0845","0.085","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2212829","10.2694","0.0013","10.2694","0.0013","30.611","0.008","90","","90","","90","","3228.3","1","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","catena-Poly[[tetraaquamanganese(II)]-μ-6,6'-dihydroxy-3,3- diazenediyldibenzoato-κ^2^O:O']","","- C14 H16 Mn N2 O10 -","- C14 H16 Mn N2 O10 -","- C112 H128 Mn8 N16 O80 -","8","1","CV2198","Tang, Yun-Zhi; Tan, Yu-Hui; Cao, Yan-Wen","<i>catena</i>-Poly[[tetraaquamanganese(II)]-μ-6,6'-dihydroxy-3,3-diazenediyldibenzoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2007","63","4","m1175","m1176","10.1107/S1600536807012305","","","0.71073","MoKα","","0.0378","0.0291","","","0.0674","0.0702","","","","","","1.129","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213561","8.4385","0.0011","8.4385","0.0011","42.901","0.006","90","","90","","90","","3054.9","0.7","297","2","297","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","8-[(7,10-dihydroxy-1,3,6,6-tetramethyl-9-oxo-3,4,6,9-tetrahydro-1H- benzo[g]isochromen-8-yl)methyl]-7,10-dihydroxy-1,3,6,6-tetramethyl-1,3,4,6- tetrahydro-9H-benzo[g]isochromen-9-one","8,8'-Methylenebis(7,10-dihydroxy-1,3,6,6-tetramethyl-3,4-dihydro-1H- benzo[g]isochromen-9-one)","","- C35 H40 O8 -","- C35 H40 O8 -","- C140 H160 O32 -","4","0.5","SJ2275","Hoong-Kun Fun; Nawong Boonnak; Suchada Chantrapromma","8,8'-Methylenebis(7,10-dihydroxy-1,3,6,6-tetramethyl-3,4-dihydro-1<i>H</i>-benzo[<i>g</i>]isochromen-9-one)","Acta Crystallographica Section E","2007","63","5","o2317","o2318","10.1107/S160053680701611X","","","0.71073","MoKα","","0.0505","0.0455","","","0.1058","0.1085","","","","","","1.154","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215675","11.6304","0.0007","11.6304","0.0007","8.7665","0.001","90","","90","","90","","1185.81","0.17","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Poly[bis(μ~2~-4-pyridinecarboxylato-κ^3^N:O,O')cobalt(II)]","","- C12 H8 Co N2 O4 -","- C12 H8 Co N2 O4 -","- C48 H32 Co4 N8 O16 -","4","0.5","TK2191","Hao, Hong-Qin; Peng, Meng-Xia; Chen, Zi-Yun","Poly[bis(μ~2~-4-pyridinecarboxylato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>')cobalt(II)]: a triply interpenetrated structure with diamonoid topology","Acta Crystallographica Section E","2007","63","10","m2605","m2605","10.1107/S1600536807046314","","","0.71073","MoKα","","0.029","0.027","","","0.062","0.063","","","","","","1.11","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216440","12.331","0.002","12.331","0.002","31.641","0.006","90","","90","","90","","4811.1","1.4","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Hexa-μ~2~-isopropoxido-κ^12^<i>O</i>:<i>O</i>- hexaisopropoxidotetraaluminium(III)","","- C36 H84 Al4 O12 -","- C36 H84 Al4 O12 -","- C144 H336 Al16 O48 -","4","0.5","FJ2066","Mohammadnezhad, Gholamhossein Sh.; Amini, Mostafa M.; Khavasi, Hamid Reza; Ng, Seik Weng","Hexa-μ~2~-isopropoxido-κ^12^<i>O</i>:<i>O</i>-hexaisopropoxidotetraaluminium(III)","Acta Crystallographica Section E","2007","63","12","m3049","m3049","10.1107/S1600536807057728","","","0.71073","MoKα","","0.0438","0.039","","","0.0952","0.0981","","","","","","1.052","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217410","9.341","0.0011","9.341","0.0011","36.125","0.005","90","","90","","90","","3152.1","0.7","298","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","<i>cis</i>-(9<i>S</i>,10<i>S</i>)-Methyl 1-propyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylate","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C128 H160 N16 O16 -","8","1","BI2260","Alam, Samina; Hasan, Mashooda; Saeed, Sadaf; Fischer, Andreas; Khan, Naeema","<i>cis</i>-(9<i>S</i>,10<i>S</i>)-Methyl 1-propyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylate","Acta Crystallographica Section E","2008","64","2","o361","o361","10.1107/S1600536807066020","","","0.71073","MoKα","","0.0749","0.0478","","","0.1016","0.1161","","","","","","1.082","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217439","10.0828","0.0006","10.0828","0.0006","25.257","0.005","90","","90","","90","","2567.7","0.6","193","2","193","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","4-(4-Fluorophenyl)-2-methyl-3-(1-oxy-4-pyridyl)isoxazol-5(2H)-one","","- C15 H11 F N2 O3 -","- C15 H11 F N2 O3 -","- C120 H88 F8 N16 O24 -","8","1","CF2171","Margutti, Simona; Schollmeyer, Dieter; Laufer, Stefan","4-(4-Fluorophenyl)-2-methyl-3-(1-oxy-4-pyridyl)isoxazol-5(2<i>H</i>)-one","Acta Crystallographica Section E","2008","64","2","o504","o504","10.1107/S1600536807066500","","","1.54178","CuKα","","0.0936","0.0676","","","0.1662","0.1922","","","","","","0.997","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218720","7.613","0.0002","7.613","0.0002","17.5864","0.0011","90","","90","","90","","1019.27","0.07","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Di-4-pyridylmethanediol","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","0.5","HG2417","Knapp, Warren R.; LaDuca, Robert L.","Di-4-pyridylmethanediol","Acta Crystallographica Section E","2008","64","7","o1347","","10.1107/S1600536808018588","","","0.71073","MoKα","","0.0327","0.0286","","","0.0732","0.0756","","","","","","1.129","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219299","8.8357","0.0007","8.8357","0.0007","32.081","0.005","90","","90","","90","","2504.6","0.5","299","2","299","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","<i>N</i>-(3-Chlorophenyl)benzenesulfonamide","","- C12 H10 Cl N O2 S -","- C12 H10 Cl N O2 S -","- C96 H80 Cl8 N8 O16 S8 -","8","1","CI2659","Gowda, B. Thimme; Foro, Sabine; Babitha, K. S.; Fuess, Hartmut","<i>N</i>-(3-Chlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2008","64","9","o1825","","10.1107/S1600536808026895","","","1.5418","CuKα","","0.0399","0.0354","","","0.0898","0.0938","","","","","","1.099","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219895","13.5883","0.0016","13.5883","0.0016","14.0392","0.0016","90","","90","","90","","2592.2","0.5","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","Bis{4-chloro-6-formyl-2-[(<i>E</i>)-2-(1<i>H</i>-imidazol-4- yl-κN^3^)ethyliminomethyl-κN]phenolato-κ<i>O</i>^1^}nickel(II)","","- C26 H22 Cl2 N6 Ni O4 -","- C26 H22 Cl2 N6 Ni O4 -","- C104 H88 Cl8 N24 Ni4 O16 -","4","0.5","HY2154","Mao, Jia-Wei; Zhou, Hong; Pan, Zhi-Quan; Meng, Xiang-Gao","Bis{4-chloro-6-formyl-2-[(<i>E</i>)-2-(1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)ethyliminomethyl-κ<i>N</i>]phenolato-κ<i>O</i>^1^}nickel(II)","Acta Crystallographica Section E","2008","64","11","m1367","m1368","10.1107/S1600536808031577","","","0.71073","MoKα","","0.0856","0.0451","","","0.075","0.0807","","","","","","0.821","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2220493","9.8857","0.0009","9.8857","0.0009","24.896","0.002","90","","90","","90","","2433","0.4","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","catena-Poly[[trimethyltin(IV)]-μ-2,5-difluorobenzoato-κ^2^O:O']","","- C10 H12 F2 O2 Sn -","- C10 H12 F2 O2 Sn -","- C80 H96 F16 O16 Sn8 -","8","1","GK2177","Wen, Liyuan; Yin, Handong; Li, Wenkuan; Wang, Daqi","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-2,5-difluorobenzoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2009","65","1","m29","","10.1107/S1600536808040774","","","0.71073","MoKα","","0.0396","0.0359","","","0.1039","0.1073","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222305","10.454","0.0004","10.454","0.0004","39.3","0.003","90","","90","","90","","4294.9","0.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","<i>N</i>-[(2<i>S</i>)-4-Chloro-2-(L-menthyloxy)-5-oxo-2,5-dihydrofuran-3-yl]- L-valine","","- C19 H30 Cl N O5 -","- C19 H30 Cl N O5 -","- C152 H240 Cl8 N8 O40 -","8","1","GK2204","Song, Xiu-Mei; Li, Zhao-Yang; Wang, Zhao-Yang; Li, Jian-Xiao","<i>N</i>-[(2<i>S</i>)-4-Chloro-2-(<small>L</small>-menthyloxy)-5-oxo-2,5-dihydrofuran-3-yl]-<small>L</small>-valine","Acta Crystallographica Section E","2009","65","7","o1585","","10.1107/S1600536809022120","","","0.71073","MoKα","","0.06","0.0399","","","0.0813","0.0905","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222447","14.809","0.004","14.809","0.004","18.281","0.006","90","","90","","90","","4009","2","298","2","298","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","2-(4-<i>tert</i>-Butylphenyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10] phenanthroline sesquihydrate","","- C23 H23 N4 O1.5 -","- C23 H23 N4 O1.5 -","- C184 H184 N32 O12 -","8","1","SI2177","Zheng, Chun-Yang; Sun, Ting-Quan","2-(4-<i>tert</i>-Butylphenyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline sesquihydrate","Acta Crystallographica Section E","2009","65","7","o1471","","10.1107/S1600536809020261","","","0.71073","MoKα","","0.0721","0.0684","","","0.1643","0.1666","","","","","","1.284","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2222923","10.5409","0.0009","10.5409","0.0009","39.388","0.007","90","","90","","90","","4376.4","0.9","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","<i>N</i>-{4-Bromo-2-[(<i>S</i>)-menthyloxy]-5-oxo-2,5-dihydro-3-furyl}-L-valine","","- C19 H30 Br N O5 -","- C19 H30 Br N O5 -","- C152 H240 Br8 N8 O40 -","8","1","XU2542","Song, Xiu-Mei; Li, Zhao-Yang; Wang, Zhao-Yang; Fu, Jian-Hua","<i>N</i>-{4-Bromo-2-[(<i>S</i>)-menthyloxy]-5-oxo-2,5-dihydro-3-furyl}-<small>L</small>-valine","Acta Crystallographica Section E","2009","65","8","o1838","","10.1107/S1600536809026129","","","0.71073","MoKα","","0.0736","0.0403","","","0.0742","0.0853","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223068","9.8723","0.0001","9.8723","","38.0217","0.0005","90","","90","","90","","3705.68","0.06","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","Dichlorido{μ~3~-6,6'-diethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}octamethyldi-μ~3~-oxido-tetratin(IV)","","- C28 H46 Cl2 N2 O6 Sn4 -","- C28 H46 Cl2 N2 O6 Sn4 -","- C112 H184 Cl8 N8 O24 Sn16 -","4","0.5","HB5035","Lee, See Mun; Lo, Kong Mun; Ng, Seik Weng","Dichlorido{μ~3~-6,6'-diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}octamethyldi-μ~3~-oxido-tetratin(IV)","Acta Crystallographica Section E","2009","65","9","m1103","m1104","10.1107/S1600536809032255","","","0.71073","MoKα","","0.0287","0.0269","","","0.0709","0.0721","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2225146","7.5123","0.0002","7.5123","0.0002","52.3543","0.0017","90","","90","","90","","2954.6","0.15","294","2","294","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","2-(4-Hydroxybiphenyl-3-yl)isoindolin-1-one","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","1","XU2719","Zheng, Yu; Wu, Jin-Long","2-(4-Hydroxybiphenyl-3-yl)isoindolin-1-one","Acta Crystallographica Section E","2010","66","2","o448","","10.1107/S1600536810002370","","","1.54184","CuKα","","0.0341","0.0305","","","0.0745","0.0765","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226509","13.9472","0.0009","13.9472","0.0009","45.724","0.003","90","","90","","90","","8894.4","1","200","2","200","2","","","","","","","","9","P 43 21 2","P 4nw 2abw","96","","μ~3~-Oxido-tris{dichlorido[1,3-bis(1,3,5-trimethylphenyl)imidazol-2-\ ylidene]gold(III)} bis(trifluoromethanesulfonyl)imide‒\ [bis(trifluoromethanesulfonyl)imide]silver(I) (1/2)","","- C69 H72 Ag2 Au3 Cl6 F18 N9 O13 S6 -","- C69 H72 Ag2 Au3 Cl6 F18 N9 O13 S6 -","- C276 H288 Ag8 Au12 Cl24 F72 N36 O52 S24 -","4","0.5","HG2690","Pažický, Marek; Rominger, Frank; Limbach, Michael","μ~3~-Oxido-tris{dichlorido[1,3-bis(1,3,5-trimethylphenyl)imidazol-2-ylidene]gold(III)} bis(trifluoromethanesulfonyl)imide‒[bis(trifluoromethanesulfonyl)imide]silver(I) (1/2)","Acta Crystallographica Section E","2010","66","7","m724","m725","10.1107/S160053681001994X","","","0.71073","MoKα","","0.0532","0.0496","","","0.0928","0.0938","","","","","","1.268","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229326","13.3167","0.0006","13.3167","0.0006","31.1595","0.0014","90","","90","","90","","5525.7","0.4","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","2-Methyl-6-(4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17- tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl)hept-2-enoic acid","","- C30 H46 O3 -","- C30 H46 O3 -","- C240 H368 O24 -","8","1","BQ2281","Arfan, Mohammad; Rauf, Abdur; Tahir, M. Nawaz; Ali, Mumtaz; Uddin, Ghias","2-Methyl-6-(4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl)hept-2-enoic acid","Acta Crystallographica Section E","2011","67","3","o711","","10.1107/S1600536811006283","","","0.71073","MoKα","","0.1016","0.0606","","","0.1582","0.1859","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2231775","16.013","0.0015","16.013","0.0015","35.557","0.003","90","","90","","90","","9117.4","1.4","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","<i>trans</i>-Carbonylchloridobis[dicyclohexyl(4- isopropylphenyl)phosphane]rhodium(I) acetone monosolvate","","- C46 H72 Cl O2 P2 Rh -","- C46 H72 Cl O2 P2 Rh -","- C368 H576 Cl8 O16 P16 Rh8 -","8","1","ZL2392","Makhoba, Sizwe; Muller, Alfred; Meijboom, Reinout; Omondi, Bernard","<i>trans</i>-Carbonylchloridobis[dicyclohexyl(4-isopropylphenyl)phosphane]rhodium(I) acetone monosolvate","Acta Crystallographica Section E","2011","67","9","m1286","m1287","10.1107/S1600536811033447","","","0.71073","MoKα","","0.0402","0.0297","","","","0.0589","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232396","13.7829","0.001","13.7829","","27.8235","0.0017","90","","90","","90","","5285.6","0.5","223","2","223","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","Bis(μ-4-bromobenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';<i>O</i>:<i>O</i>, <i>O</i>'-bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']bis[(4- bromobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]","","- C54 H44 Br4 Cd2 N4 O8 -","- C54 H44 Br4 Cd2 N4 O8 -","- C216 H176 Br16 Cd8 N16 O32 -","4","0.5","LR2033","Liu, Dong; Zi, Yan-Qin; Ng, Seik Weng","Bis(μ-4-bromobenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';<i>O</i>:<i>O</i>,<i>O</i>'-bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']bis[(4-bromobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]","Acta Crystallographica Section E","2011","67","11","m1621","","10.1107/S1600536811043996","","","0.71073","MoKα","","0.0501","0.0438","","","0.1001","0.1036","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234076","9.4424","0.0001","9.4424","0.0001","24.7343","0.0005","90","","90","","90","","2205.28","0.06","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","3-Carbamoyl-2,2-dimethylcyclopentane-1,1-dicarboxylic acid","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C80 H120 N8 O40 -","8","1","ZS2175","Knizhnikov, Volodymyr; Gorichko, Marian; Voitenko, Zoya","3-Carbamoyl-2,2-dimethylcyclopentane-1,1-dicarboxylic acid","Acta Crystallographica Section E","2012","68","3","o725","","10.1107/S1600536812005636","","","0.71073","MoKα","","0.0431","0.037","","","0.0963","0.0993","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234197","5.8692","0.0005","5.8692","0.0005","50.637","0.005","90","","90","","90","","1744.3","0.3","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","1,3-Bis(1-phenylethyl)imidazolidine-2-thione","","- C19 H22 N2 S -","- C19 H22 N2 S -","- C76 H88 N8 S4 -","4","0.5","GK2471","Umar, M. Naveed; Tahir, M. Nawaz; Shoaib, Mohammad; Ali, Akbar; Khan, Imran","1,3-Bis(1-phenylethyl)imidazolidine-2-thione","Acta Crystallographica Section E","2012","68","4","o1188","","10.1107/S160053681201224X","","","0.71073","MoKα","","0.106","0.0698","","","0.1534","0.1704","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236096","13.014","0.002","13.014","0.002","21.167","0.003","90","","90","","90","","3584.9","0.9","100","0.5","100","0.5","101.3","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(1<i>R</i>,4<i>R</i>,5a<i>S</i>,7<i>S</i>,9a<i>S</i>)-7,9a-Dimethyl- 6-methylene-3-oxo-1,3,4,5,5a,6,7,8,9,9a- decahydronaphtho[1,2-<i>c</i>]furan-1,4-diyl diacetate","","- C19 H24 O6 -","- C19 H24 O6 -","- C152 H192 O48 -","8","1","BT5979","Mudyiwa, Mercy; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.","(1<i>R</i>,4<i>R</i>,5a<i>S</i>,7<i>S</i>,9a<i>S</i>)-7,9a-Dimethyl-6-methylene-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-<i>c</i>]furan-1,4-diyl diacetate","Acta Crystallographica Section E","2012","68","9","o2612","o2613","10.1107/S1600536812033636","","","0.71073","MoKα","","","0.0358","","","","0.0923","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236569","8.4556","0.0012","8.4556","0.0012","46.991","0.009","90","","90","","90","","3359.7","0.9","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","2,2'-{[(2,2'-Diethoxy-1,1'-binaphthalene-6,6'-diyl)bis(4,1- phenylene)]bis(methanylylidene)}dimalononitrile","","- C44 H30 N4 O2 -","- C44 H30 N4 O2 -","- C176 H120 N16 O8 -","4","0.5","QM2082","Chen, Shikun","2,2'-{[(2,2'-Diethoxy-1,1'-binaphthalene-6,6'-diyl)bis(4,1-phenylene)]bis(methanylylidene)}dimalononitrile","Acta Crystallographica Section E","2012","68","10","o2852","","10.1107/S1600536812037282","","","0.71073","MoKα","","0.0464","0.0433","","","0.093","0.0948","","","","","","1.154","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236863","8.0163","0.0004","8.0163","0.0004","35.3103","0.0018","90","","90","","90","","2269.1","0.2","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","Poly[[μ-<i>N</i>,<i>N</i>'-bis(2-hydroxyethyl)- <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylpropane-1,3-diaminium- κ^2^<i>O</i>:<i>O</i>']tetra-μ-bromido-dibromidodimanganese(II)]","","- C11 H28 Br6 Mn2 N2 O2 -","- C11 H28 Br6 Mn2 N2 O2 -","- C44 H112 Br24 Mn8 N8 O8 -","4","0.5","FJ2604","Rinta, Heikki; Peuronen, Anssi; Lahtinen, Manu","Poly[[μ-<i>N</i>,<i>N</i>'-bis(2-hydroxyethyl)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylpropane-1,3-diaminium-κ^2^<i>O</i>:<i>O</i>']tetra-μ-bromido-dibromidodimanganese(II)]","Acta Crystallographica Section E","2012","68","12","m1453","m1454","10.1107/S1600536812044765","","","0.71073","MoKα","","0.0242","0.0214","","","0.0462","0.047","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238106","20.0898","0.0016","20.0898","0.0016","18.012","0.002","90","","90","","90","","7269.6","1.1","296","2","296","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","(<i>R</i>~C~,<i>S</i>~Fe~)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-{1-[2-(diphenylphosphanyl)ferrocenyl]ethyl}thiourea (unknown solvate)","","- C33 H27 F6 Fe N2 P S -","- C33 H27 F6 Fe N2 P S -","- C264 H216 F48 Fe8 N16 P8 S8 -","8","1","ZL2541","Ma, Peng-Fei; Zhang, Xiao-Rui; Ma, Jiang-Wei; Chen, Hui; Jiang, Ru","(<i>R</i>~C~,<i>S</i>~Fe~)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-{1-[2-(diphenylphosphanyl)ferrocenyl]ethyl}thiourea (unknown solvate)","Acta Crystallographica Section E","2013","69","5","m242","m243","10.1107/S1600536813008453","","","0.71073","MoKα","","0.1101","0.0536","","","0.1034","0.1194","","","","","","0.946","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238769","13.6792","0.0003","13.6792","0.0003","24.9625","0.0013","90","","90","","90","","4671","0.3","295","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(1<i>S</i>,1'<i>S</i>,2'<i>R</i>,4a'<i>S</i>,9a'<i>S</i>,9b'<i>R</i>)-1'-Acetyloxy-2,4'-dioxo-2',4',4a',7',8',9',9a',9b'-octahydro-1'<i>H</i>,2<i>H</i>-spiro[acenaphthylene-1,5'-pyrano[4,3-<i>a</i>]pyrrolizin]-2'-ylmethyl acetate","","- C26 H25 N O7 -","- C26 H25 N O7 -","- C208 H200 N8 O56 -","8","1","NC2316","Santhiya, S.; Naga Siva Rao, J.; Raghunathan, R.; Latha, N.; Lakshmi, S.","(1<i>S</i>,1'<i>S</i>,2'<i>R</i>,4a'<i>S</i>,9a'<i>S</i>,9b'<i>R</i>)-1'-Acetyloxy-2,4'-dioxo-2',4',4a',7',8',9',9a',9b'-octahydro-1'<i>H</i>,2<i>H</i>-spiro[acenaphthylene-1,5'-pyrano[4,3-<i>a</i>]pyrrolizin]-2'-ylmethyl acetate","Acta Crystallographica Section E","2013","69","11","o1601","","10.1107/S1600536813026111","","","0.71073","MoKα","","0.0678","0.0423","","","0.0918","0.1041","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2242361","7.2415","0.0003","7.2415","0.0003","39.516","0.002","90","","90","","90","","2072.19","0.16","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","2,5-Bis(4-methoxyphenyl)-1,6,3,4,2λ^5^,5λ^5^-dioxadithiadiphosphocane-2,5-dithione","","- C16 H18 O4 P2 S4 -","- C16 H18 O4 P2 S4 -","- C64 H72 O16 P8 S16 -","4","0.5","ZP2026","Przychodzeń, Witold; Chojnacki, Jarosław","Crystal structures of eight- and ten-membered cyclic bisanisylphosphonothioyl disulfanes and comparison with their <i>P</i>-ferrocenyl analogues","Acta Crystallographica Section E","2018","74","2","212","216","10.1107/S2056989018001068","","","0.71073","MoKα","","0.0426","0.038","","","0.0901","0.0921","","","","","","1.088","","","","has coordinates,has Fobs","205881","2020-10-21","18:00:00",""
"2242700","9.0166","0.0001","9.0166","0.0001","23.1158","0.0003","90","","90","","90","","1879.29","0.04","293","","293","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Bis(diisopropylammonium) molybdate","Bis(diisopropylazanium tetraoxomolybdate","","- C12 H32 Mo N2 O4 -","- C12 H32 Mo N2 O4 -","- C48 H128 Mo4 N8 O16 -","4","0.5","WM5465","Sarr, Bougar; Mbaye, Abdou; Diop, Cheikh Abdoul Khadir; Melin, Frederic; Hellwig, Petra; Sidibé, Mamadou; Rousselin, Yoann","Crystal structure of bis(diisopropylammonium) molybdate","Acta Crystallographica Section E","2018","74","11","1682","1685","10.1107/S2056989018014755","","","0.71073","MoKα","","0.0194","0.0186","","","0.0483","0.0488","","","","","","1.12","","","","has coordinates","211742","2020-10-21","18:00:00",""
"2243569","11.985","0.0003","11.985","0.0003","52.4508","0.0014","90","","90","","90","","7534","0.3","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","Bis[(<i>R</i>,<i>R</i>)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate","Bis{1,2-bis[12,14-dioxa-13-phosphapentacyclo[13.8.0.0^2,11^.0^3,8^.0^18,23^]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-yl]ethane}dichloridoiron(II) dichloromethane disolvate","","- C86 H60 Cl6 Fe O8 P4 -","- C86 H60 Cl6 Fe O8 P4 -","- C344 H240 Cl24 Fe4 O32 P16 -","4","0.5","HB7939","Rennie, Benjamin E.; Lough, Alan J.; Morris, Robert H.","Crystal structure of bis[(<i>R</i>,<i>R</i>)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate","Acta Crystallographica Section E","2020","76","9","1525","1527","10.1107/S2056989020011160","","","1.54178","CuKα","","0.0494","0.0425","","","0.105","0.1098","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","255746","2020-10-21","18:00:00",""
"2300629","6.1352","0.0004","6.1352","0.0004","18.1726","0.0012","90","","90","","90","","684.03","0.08","300","2","300","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C2 H10 N2 O4 Se -","- C2 H10 N2 O4 Se -","- C8 H40 N8 O16 Se4 -","4","0.5","TO5159","Martin, Alexander T.; Nichols, Shane M.; Li, Sichao; Tan, Melissa; Kahr, Bart","Double cone of eigendirections in optically active ethylenediammonium selenate crystals","Journal of Applied Crystallography","2017","50","4","1117","1124","10.1107/S1600576717007865","","","0.71073","MoKα","","0.0243","0.0208","","","0.0549","0.0557","","","","","","1.202","","","","has coordinates,has Fobs","199600","2020-10-21","18:00:00",""
"2310609","3.9962","","3.9962","","11.287","","90","","90","","90","","180.249","","","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- Cu2 S -","- Cu2 S -","- Cu8 S4 -","4","0.5","","Janosi, A.","La structure du cuivreux quadratique","Acta Crystallographica (1,1948-23,1967)","1964","17","","311","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2312620","11.7364","0.0003","11.7364","0.0003","21.9295","0.0009","90","","90","","90","","3020.64","0.17","170","","170","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Matrine 1.75-hydrate","(1<i>R</i>,2<i>R</i>,9<i>S</i>,17<i>S</i>)-7,13-Diazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecan-6-one 1.75-hydrate","","- C15 H27.5 N2 O2.75 -","- C15 H27.5 N2 O2.75 -","- C120 H220 N16 O22 -","8","1","OP3032","Liu, Jiyong; Shi, Dier; Yu, Kaxi; Liu, Shuna; Chen, Linshen; Hu, Xiurong","Crystal structures and properties of derivatives of the alkaloid matrine: salts and hydrate forms.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624008064","","","1.34139","GaKα","","0.0407","0.0366","","","0.0936","0.0952","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","294362","2024-09-04","02:09:05",""
"4000043","10.6898","0.0009","10.6898","0.0009","12.909","0.0013","90","","90","","90","","1475.1","0.2","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","4-(9-bicyclo[3.3.1]nonanylidene)cyclopenta[2,1-b:3,4-b']dithiophene","","- C18 H18 S2 -","- C18 H18 S2 -","- C72 H72 S8 -","4","0.5","","Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.","Steric Control of Conductivity in Highly Conjugated Polythiophenes","Chemistry of Materials","2001","13","5","1665","1673","10.1021/cm0009118","","","0.71073","MoKα","","0.0676","0.0422","","0.0976","0.0853","","","","1.061","1.076","1.076","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000061","7.7094","0.0002","7.7094","0.0002","20.3266","0.0007","90","","90","","90","","1208.11","0.06","198","2","198","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 N2 O4 Zn -","- C16 H10.6667 N2.66667 O5.33333 Zn1.33333 -","- C48 H32 N8 O16 Zn4 -","3","0.375","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1016","0.0827","","","0.1866","0.1967","","","","","","1.465","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000627","14.5452","0.0007","14.5452","0.0007","28.524","0.002","90","","90","","90","","6034.6","0.6","173","2","173","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C38 H0 F6 I6 N5 O4 Pr S2 -","- C38 H80 F6 I6 N5 O4 Pr S2 -","- C152 H320 F24 I24 N20 O16 Pr4 S8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051137x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000628","14.648","0.002","14.648","0.002","28.469","0.005","90","","90","","90","","6108.4","1.6","173","2","173","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C38 H80 F6 I6 N5 O4 Pr S2 -","- C38 H80 F6 I6 N5 O4 Pr S2 -","- C152 H320 F24 I24 N20 O16 Pr4 S8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051137x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001668","21.8","0.003","21.8","0.003","35.407","0.007","90","","90","","90","","16827","5","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C42 H24 Fe3 O16 -","- C42 H24 Fe3 O16 -","- C336 H192 Fe24 O128 -","8","1","","Dan-Hardi, Meenakshi; Chevreau, Hubert; Devic, Thomas; Horcajada, Patricia; Maurin, Guillaume; Férey, Gérard; Popov, Dmitry; Riekel, Christian; Wuttke, Stefan; Lavalley, Jean-Claude; Vimont, Alexandre; Boudewijns, Tom; de Vos, Dirk; Serre, Christian","How Interpenetration Ensures Rigidity and Permanent Porosity in a Highly Flexible Hybrid Solid","Chemistry of Materials","2012","24","13","2486","","10.1021/cm300450x","","","0.9613","synchrotron","","0.1172","0.1017","","","0.2495","0.2663","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4003097","10.2458","0.0002","10.2458","0.0002","21.1573","0.0007","90","","90","","90","","2221.02","0.1","173","","173","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(μ~2~-di-tert-butyldiphosphine-P,P)́-octacarbonyl-di-iron","","- C16 H20 Fe2 O8 P2 -","- C16 H20 Fe2 O8 P2 -","- C64 H80 Fe8 O32 P8 -","4","0.5","","Schipper, Desmond E.; Zhao, Zhenhuan; Thirumalai, Hari; Leitner, Andrew P.; Donaldson, Samantha L.; Kumar, Arvind; Qin, Fan; Wang, Zhiming; Grabow, Lars C.; Bao, Jiming; Whitmire, Kenton H.","Effects of Catalyst Phase on the Hydrogen Evolution Reaction of Water Splitting: Preparation of Phase-Pure Films of FeP, Fe2P, and Fe3P and Their Relative Catalytic Activities","Chemistry of Materials","2018","30","10","3588","","10.1021/acs.chemmater.8b01624","","","0.71073","MoKα","","0.0365","0.0328","","","0.0784","0.0802","","","","","","1.098","","","","has coordinates,has disorder","226203","2020-10-21","18:00:00",""
"4003643","8.3537","0.0004","8.3537","0.0004","24.6556","0.0014","90","","90","","90","","1720.57","0.15","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C H6 Au I3 N -","- C H6 Au I3 N -","- C8 H48 Au8 I24 N8 -","8","1","","Ghosh, Biplab; Febriansyah, Benny; Harikesh, Padinhare Cholakkal; Koh, Teck Ming; Hadke, Shreyash; Wong, Lydia H.; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Direct Band Gap Mixed-Valence Organic‒inorganic Gold Perovskite as Visible Light Absorbers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00345","","","0.71073","MoKα","","0.0277","0.0249","","","0.0507","0.052","","","","","","1.081","","","","has coordinates","254655","2020-10-21","18:00:00",""
"4020023","8.2629","0.0004","8.2629","0.0004","41.448","0.003","90","","90","","90","","2829.9","0.3","153","2","153","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","VAPOL","","","- C40 H26 O2 -","- C40 H26 O2 -","- C160 H104 O8 -","4","0.5","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.0739","0.065","","","0.115","0.1181","","","","","","1.237","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020038","12.3661","0.0006","12.3661","0.0006","31.502","0.003","90","","90","","90","","4817.3","0.5","153","","153","","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C44 H64 Fe2 I2 N2 O4 Pd2 Si2 -","- C44 H64 Fe2 I2 N2 O4 Pd2 Si2 -","- C176 H256 Fe8 I8 N8 O16 Pd8 Si8 -","4","0.5","","Carolyn E. Anderson; Yariv Donde; Christopher J. Douglas; Larry E. Overman","","Journal of Organic Chemistry","2005","70","","648","657","10.1021/jo048490r","","","0.71073","MoKα","","0.0348","0.028","","0.0638","0.0617","","","","1.125","1.141","1.141","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4020441","12.6369","0.0003","12.6369","0.0003","40.5962","0.0009","90","","90","","90","","6482.9","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C64 H94 Ca O16 -","- C64 H94 Ca O16 -","- C256 H376 Ca4 O64 -","4","0.5","","Eun Joo Kang; Eun Jin Cho; Mi Kyung Ji; Young Eun Lee; Dong Mok Shin; Soo Young Choi; Young Keun Chung; Jong-Seo Kim; Hie-Joon Kim; Sueg-Geun Lee; Myoung Soo Lah; Eun Lee","","Journal of Organic Chemistry","2005","70","","6321","6329","10.1021/jo0507993","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020909","12.159","0.006","12.159","0.006","19.086","0.013","90","","90","","90","","2821","3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C11 H20 N4 O2 -","- C11 H20 N4 O2 -","- C88 H160 N32 O16 -","8","1","","T. Govindaraju; Vaijayanti A. Kumar; Krishna N. Ganesh","Synthesis and Evaluation of (1S,2R/1R,2S)-Aminocyclohexylglycyl PNAs as Conformationally Preorganized PNA Analogues for DNA/RNA Recognition","Journal of Organic Chemistry","2004","69","","1858","1865","10.1021/jo035747x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021405","14.149","0.0008","14.149","0.0008","40.65","0.002","90","","90","","90","","8137.9","0.8","296.1","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(S)-1-(p-tolyl)ethylammonium_(Rp)-O-propyl phenylphosphonothioate","","","- C18 H26 N O2 P S -","- C18 H24.5 N O2 P S -","- C288 H392 N16 O32 P16 S16 -","16","2","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.053","","","","0.064","","","","","","1.192","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4022796","8.3398","0.0001","8.3398","0.0001","37.0388","0.0009","90","","90","","90","","2576.13","0.08","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C14 H12 Cr O4 -","- C14 H12 Cr O4 -","- C112 H96 Cr8 O32 -","8","1","","Stephen C. Pelly; Sameshnee Govender; Manuel A. Fernandes; Hans-Günther Schmalz; Charles B. de Koning","Stereoselective Syntheses of the 2-Isopropenyl-2,3-dihydrobenzofuran Nucleus: Potential Chiral Building Blocks for the Syntheses of Tremetone, Hydroxytremetone, and Rotenone","Journal of Organic Chemistry","2007","72","","2857","2864","10.1021/jo062447h","","","0.71073","MoKα","","0.0281","0.0261","","","0.0657","0.0665","","","","","","1.089","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4023369","14.5527","0.0012","14.5527","0.0012","29.858","0.003","90","","90","","90","","6323.4","1","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C29.27 H42.41 N2.14 O5 S -","- C29.272 H42 N2.136 O5 S -","- C234.176 H336 N17.088 O40 S8 -","8","1","","Armel A. Agbodjan; Bob E. Cooley; Royston C. B. Copley; John A. Corfield; Roy C. Flanagan; Bobby N. Glover; Rossella Guidetti; David Haigh; Peter D. Howes; Mary M. Jackson; Richard T. Matsuoka; Katrina J. Medhurst; Alan Millar; Matthew J. Sharp; Martin J. Slater; Jennifer F. Toczko; Shiping Xie","Asymmetric Synthesis of an N-Acylpyrrolidine for Inhibition of HCV Polymerase","Journal of Organic Chemistry","2008","73","","3094","3102","10.1021/jo800062c","","","0.71073","MoKα","","0.0559","0.0397","","","0.0728","0.0801","","","","","","1.071","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023840","10.6091","0.0002","10.6091","0.0002","39.7099","0.0014","90","","90","","90","","4469.47","0.2","153.1","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- C30 H34 -","- C30 H34 -","- C240 H272 -","8","1","","Atsuya Muranaka; Masahiko Shibahara; Motonori Watanabe; Taisuke Matsumoto; Teruo Shinmyozu; Nagao Kobayashi","Optical Resolution, Absolute Configuration, and Chiroptical Properties of Three-Layered [3.3]Paracyclophane","Journal of Organic Chemistry","2008","73","","9125","9128","10.1021/jo801441h","","","0.7107","MoKα","","","0.0351","","","","0.0692","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024594","12.8839","0.001","12.8839","0.001","37.34","0.004","90","","90","","90","","6198.3","1","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C39 H31 B F4 N2 -","- C39 H31 B F4 N2 -","- C312 H248 B8 F32 N16 -","8","1","","Kang-sang Lee; Amir H. Hoveyda","Monodentate Non-C2-symmetric Chiral N-Heterocyclic Carbene Complexes for Enantioselective Synthesis. Cu-Catalyzed Conjugate Additions of Aryl- and Alkenylsilylfluorides to Cyclic Enones","Journal of Organic Chemistry","2009","74","","4455","4462","10.1021/jo900589x","","","0.71073","MoKα","","0.0949","0.051","","","0.0995","0.1153","","","","","","1.032","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024597","13.444","0.0019","13.444","0.0019","32.156","0.006","90","","90","","90","","5811.9","1.6","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C29 H25 Br N2 O3 S -","- C29 H25 Br N2 O3 S -","- C232 H200 Br8 N16 O24 S8 -","8","1","","Liang Cheng; Li Liu; Han Jia; Dong Wang; Yong-Jun Chen","Enantioselective Organocatalytic anti-Mannich-Type Reaction of N-Unprotected 3-Substituted 2-Oxindoles with Aromatic N-Ts-aldimines","Journal of Organic Chemistry","2009","74","","4650","4653","10.1021/jo9006688","","","0.71073","MoKα","","0.0854","0.0357","","","0.0785","0.0855","","","","","","0.546","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024935","6.1093","0.0001","6.1093","0.0001","22.3025","0.0007","90","","90","","90","","832.41","0.03","150","1","150","1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","0.5","","Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie","A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates","Journal of Organic Chemistry","2009","74","","7935","7942","10.1021/jo901791k","","","0.71073","MoKα","","0.0382","0.0346","","","0.0858","0.0883","","","","","","1.078","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4025154","10.736","0.0007","10.736","0.0007","34.045","0.004","90","","90","","90","","3924.1","0.6","294","2","294","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H17 Br N2 O6 S2 -","- C16 H17 Br N2 O6 S2 -","- C128 H136 Br8 N16 O48 S16 -","8","1","","Sadagopan Raghavan; V. Krishnaiah; B. Sridhar","Asymmetric Synthesis of the Potent HIV-Protease Inhibitor, Nelfinavir","Journal of Organic Chemistry","2010","75","","498","501","10.1021/jo902048t","","","0.71073","MoKα","","0.0461","0.0381","","","0.0909","0.0964","","","","","","1.103","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025870","14.4022","0.0013","14.4022","0.0013","9.5546","0.0016","90","","90","","90","","1981.8","0.4","150","2","150","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","0.5","","Maliha Uroos; William Lewis; Alexander J. Blake; Christopher J. Hayes","Total Synthesis of (+)-Cymbodiacetal: A Re-evaluation of the Biomimetic Route","Journal of Organic Chemistry","2010","75","","8465","8470","10.1021/jo101691n","","","0.71073","MoKα","","0.0378","0.0373","","","0.0978","0.0983","","","","","","1.148","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4026232","13.1671","0.0019","13.1671","0.0019","19.597","0.004","90","","90","","90","","3397.6","1","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H27 N3 O0 -","- C19 H27 N3 -","- C152 H216 N24 -","8","1","","Fei Wang; Shangjun Cai; Qian Liao; Chanjuan Xi","A Protocol to 2-Aminobenzimidazoles via Copper-Catalyzed Cascade Addition and Cyclization of o-Haloanilines and Carbodiimides","Journal of Organic Chemistry","2011","76","","3174","3180","10.1021/jo200014v","","","0.71073","MoKα","","0.1037","0.0877","","","0.1819","0.1905","","","","","","1.21","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026767","9.0911","0.0009","9.0911","0.0009","31.405","0.006","90","","90","","90","","2595.6","0.6","200","2","200","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C14 H21 N O -","- C14 H21 N O -","- C112 H168 N8 O8 -","8","1","","Douglass F. Taber; Sha Bai; Weiwei Tian","Synthesis of the Reported Structure of trans-Africanan-1α-ol","Journal of Organic Chemistry","2011","76","","9733","9737","10.1021/jo2018558","","","0.71073","MoKα","","0.0479","0.0443","","","0.1142","0.1187","","","","","","1.08","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4027449","10.321","0.003","10.321","0.003","57.75","0.02","90","","90","","90","","6152","3","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C31 H28 N3 O2 -","- C31 H28 N3 O2 -","- C248 H224 N24 O16 -","8","1","","Hai-Liang Zhu; Jun-Bing Ling; Peng-Fei Xu","α-Oxo-γ-Butyrolactam, N-Containing Pronucleophile in Organocatalytic One-Pot Assembly of Butyrolactam-Fused Indoloquinolizidines","Journal of Organic Chemistry","2012","77","","7737","7743","10.1021/jo301192d","","","0.71073","MoKα","","0.2026","0.1402","","","0.34","0.3851","","","","","","1.035","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027940","8.308","0.0002","8.308","0.0002","40.7386","0.0011","90","","90","","90","","2811.89","0.12","150","2","150","2","","","","","","","synthesized by the authors","5","P 43 21 2","P 4nw 2abw","96","","","","- C34 H26 F6 N2 O4 -","- C34 H26 F6 N2 O4 -","- C136 H104 F24 N8 O16 -","4","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0448","0.0439","","","0.1241","0.1248","","","","","","1.135","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4028241","11.7715","0.0001","11.7715","0.0001","33.0827","0.0005","90","","90","","90","","4584.21","0.09","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C28 H25 O3 P -","- C28 H25 O3 P -","- C224 H200 O24 P8 -","8","1","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0463","0.0394","","","0.0948","0.0985","","","","","","1.063","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028394","11.118","0.003","11.118","0.003","34.896","0.013","90","","90","","90","","4313","2","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C44 H44 Cl2 Fe4 O4 Rh2 S4 -","- C44 H44 Cl2 Fe4 O4 Rh2 S4 -","- C176 H176 Cl8 Fe16 O16 Rh8 S16 -","4","0.5","","Noureddine Khiar; Álvaro Salvador; Victoria Valdivia; Ahmed Chelouan; Ana Alcudia; Eleuterio Álvarez; Inmaculada Fernández","Flexible C2-Symmetric Bis-Sulfoxides as Ligands in Enantioselective 1,4-Addition of Boronic Acids to Electron-Deficient Alkenes","Journal of Organic Chemistry","2013","78","","6510","6521","10.1021/jo400700m","","","0.71073","MoKα","","0.0631","0.0362","","","0.0652","0.0878","","","","","","1.146","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028748","8.2039","0.0012","8.2039","0.0012","21.191","0.004","90","","90","","90","","1426.2","0.4","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C10 H18 Cl N2 O4 P -","- C10 H18 Cl N2 O4 P -","- C40 H72 Cl4 N8 O16 P4 -","4","0.5","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","0.71073","MoKα","","0.0501","0.0425","","","0.0868","0.0908","","","","","","1.096","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028821","11.52756","0.00012","11.52756","0.00012","58.0386","0.0007","90","","90","","90","","7712.44","0.15","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C368 H384 N32 O48 -","16","2","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.54184","CuKα","","0.0708","0.0695","","","0.1554","0.1559","","","","","","1.138","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028914","6.609","0.0003","6.609","0.0003","18.8339","0.0015","90","","90","","90","","822.64","0.08","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(9R,10R)-2,3-Decahydrobenzopyrazinodione","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","0.5","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0471","0.0367","","","0.0865","0.0962","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028915","6.981","0.0001","6.981","0.0001","24.2018","0.0007","90","","90","","90","","1179.46","0.04","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(R)-5-Methyl-2,3-piperazynodione","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C40 H64 N16 O16 -","8","1","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0316","0.0282","","","0.0702","0.0736","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029768","10.1499","0.0012","10.1499","0.0012","22.75","0.005","90","","90","","90","","2343.7","0.6","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C9 H12 F6 N0 O2 -","- C9 H12 F6 O2 -","- C72 H96 F48 O16 -","8","1","","Petrov, Viacheslav A.; Marshall, Will","Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane.","Beilstein journal of organic chemistry","2010","6","","46","","10.3762/bjoc.6.46","","","0.71073","MoKα","","0.0303","0.0268","","","0.0665","0.0686","","","","","","1.057","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029888","14.0105","0.0008","14.0105","0.0008","33.006","0.002","90","","90","","90","","6478.9","0.7","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","3a","","","- C34 H30 Br N3 Ni O3 -","- C34 H30 Br N3 Ni O3 -","- C272 H240 Br8 N24 Ni8 O24 -","8","1","","Chen, Hui; Wang, Jiang; Zhou, Shengbin; Liu, Hong","Asymmetric Synthesis of Chiral Heterocyclic Amino Acids via the Alkylation of the Ni(II) Complex of Glycine and Alkyl Halides.","The Journal of organic chemistry","2014","79","17","7872","7879","10.1021/jo501571j","","","0.71073","MoKα","","0.0838","0.0477","","","0.0987","0.1095","","","","","","0.925","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4031356","9.766","0.005","9.766","0.005","51.01","0.02","90","","90","","90","","4865","4","273","2","273","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C26 H27 N O5 -","- C26 H27 N O5 -","- C208 H216 N8 O40 -","8","1","","Zheng, Jianfeng; Lin, Lili; Fu, Kai; Zheng, Haifeng; Liu, Xiaohua; Feng, Xiaoming","Synthesis of Optically Pure Spiro[cyclohexane-oxindoline] Derivatives via Catalytic Asymmetric Diels-Alder Reaction of Brassard-Type Diene with Methyleneindolines.","The Journal of organic chemistry","2015","80","17","8836","8842","10.1021/acs.joc.5b01318","","","0.71073","MoKα","","0.0955","0.0635","","","0.1669","0.1886","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031378","8.36","","8.36","","15.4","","90","","90","","90","","1076.3","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(Si H3)2 Se","","- H6 Se Si2 -","- H6 Se Si2 -","- H48 Se8 Si16 -","8","1","","Barrow, M.J.; Ebsworth, E.A.V.","Crystal and molecular structures of disilyl sulphide (at 120 K) and of disilyl selenide (at 125 K) and comparison with crystalline disilyl oxide","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1982","1982","","211","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031971","9.6284","0.00013","9.6284","0.00013","34.587","0.0007","90","","90","","90","","3206.43","0.09","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C136 H120 Br8 N16 O16 -","8","1","","Weng, Jian-Quan; Fan, Ren-Jie; Deng, Qiao-Man; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective Friedel-Crafts Alkylation Reactions of 3-Substituted Indoles with Electron-Deficient Alkenes.","The Journal of organic chemistry","2016","81","7","3023","3030","10.1021/acs.joc.6b00123","","","1.54184","CuKα","","0.0388","0.0377","","","0.0999","0.1007","","","","","","1.068","","","","has coordinates","181373","2020-10-21","18:00:00",""
"4032445","10.9331","0.0002","10.9331","0.0002","54.663","0.001","90","","90","","90","","6534","0.2","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C38 H53 N O4 -","- C38 H53 N O4 -","- C304 H424 N8 O32 -","8","1","","Ortiz, Adrian; Soumeillant, Maxime; Savage, Scott A.; Strotman, Neil A.; Haley, Matthew; Benkovics, Tamas; Nye, Jeffrey; Xu, Zhongmin; Tan, Yichen; Ayers, Sloan; Gao, Qi; Kiau, Susanne","Synthesis of HIV-Maturation Inhibitor BMS-955176 from Betulin by an Enabling Oxidation Strategy.","The Journal of organic chemistry","2017","82","9","4958","4963","10.1021/acs.joc.7b00438","","","1.54178","CuKα","","0.0376","0.0329","","","0.0902","0.0953","","","","","","1.124","","","","has coordinates,has disorder","197464","2020-10-21","18:00:00",""
"4032531","8.2642","0.0002","8.2642","0.0002","59.668","0.004","90","","90","","90","","4075.1","0.3","294.3","0.1","294.3","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C192 H152 Cl8 O32 -","8","1","","Deng, Yu-Hua; Chu, Wen-Dao; Zhang, Xiang-Zhi; Yan, Xu; Yu, Ke-Yin; Yang, Liang-Liang; Huang, Hanmin; Fan, Chun-An","Cinchona Alkaloid Catalyzed Enantioselective [4 + 2] Annulation of Allenic Esters and in Situ Generated ortho-Quinone Methides: Asymmetric Synthesis of Functionalized Chromans.","The Journal of organic chemistry","2017","82","10","5433","5440","10.1021/acs.joc.7b00370","","","0.71073","MoKα","","0.0729","0.0565","","","0.1252","0.1365","","","","","","1.149","","","","has coordinates","197327","2020-10-21","18:00:00",""
"4032615","8.2959","0.0002","8.2959","0.0002","45.7622","0.0011","90","","90","","90","","3149.44","0.13","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 F2 O2 -","- C19 H18 F2 O2 -","- C152 H144 F16 O16 -","8","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0343","0.0318","","","0.076","0.0774","","","","","","1.073","","","","has coordinates","200696","2020-10-21","18:00:00",""
"4032616","8.2655","0.0002","8.2655","0.0002","45.8542","0.0013","90","","90","","90","","3132.69","0.14","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 F2 O2 -","- C19 H18 F2 O2 -","- C152 H144 F16 O16 -","8","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0458","0.0438","","","0.118","0.1201","","","","","","1.069","","","","has coordinates,has disorder","200696","2020-10-21","18:00:00",""
"4033342","10.5837","0.0013","10.5837","0.0013","52.904","0.003","90","","90","","90","","5926","1.1","103","","103","","","","","","","","Extracted from the bark of Laetia corymbulosa","3","P 43 21 2","P 4nw 2abw","96","","18,19-di-O-acetyl-18,19-epoxy-6-hydroxy-2-(2?-methylbutanoyloxy)cleroda-3,13(16),14-triene","","- C29 H42 O8 -","- C29 H42 O8 -","- C232 H336 O64 -","8","1","","Aimaiti, Simayijiang; Suzuki, Airi; Saito, Yohei; Fukuyoshi, Shuichi; Goto, Masuo; Miyake, Katsunori; Newman, David J.; O'Keefe, Barry R; Lee, Kuo-Hsiung; Nakagawa-Goto, Kyoko","Corymbulosins I-W, Cytotoxic Clerodane Diterpenes from the Bark of Laetia corymbulosa.","The Journal of organic chemistry","2018","83","2","951","963","10.1021/acs.joc.7b02951","","x-ray","0.71075","MoKα","","0.0771","0.0617","","","0.1689","0.1827","","","","","","1.044","","","","has coordinates","227553","2020-10-21","18:00:00",""
"4033807","9.4429","0.0016","9.4429","0.0016","24.644","0.004","90","","90","","90","","2197.5","0.6","93","","93","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C10 H18 N2 O2 -","- C10 H18 N2 O2 -","- C80 H144 N16 O16 -","8","1","","Tanaka, Kouichi; Miki, Takashi; Murata, Kunihiko; Yamaguchi, Ayumi; Kayaki, Yoshihito; Kuwata, Shigeki; Ikariya, Takao; Watanabe, Masahito","Reductive Amination of Ketonic Compounds Catalyzed by Cp*Ir(III) Complexes Bearing a Picolinamidato Ligand.","The Journal of organic chemistry","2019","84","17","10962","10977","10.1021/acs.joc.9b01565","","","0.71075","MoKα","","0.0685","0.0618","","","0.152","0.1593","","","","","","1.042","","","","has coordinates","222382","2020-10-21","18:00:00",""
"4035544","11.0275","0.0001","11.0275","0.0001","38.1512","0.0005","90","","90","","90","","4639.41","0.09","100","0.1","100","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C208 H232 N24 O24 -","8","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0435","0.042","","","0.1071","0.1083","","","","","","1.054","","","","has coordinates","226992","2020-10-21","18:00:00",""
"4036453","10.7298","0.0004","10.7298","0.0004","35.04","0.003","90","","90","","90","","4034.1","0.4","130","0.2","130","0.2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H22 N4 O5 -","- C20 H22 N4 O5 -","- C160 H176 N32 O40 -","8","1","","Hooper, Joel F.; James, Natalie C.; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M.; Holland, Mareike C.; Gilmour, Ryan; Holmes, Andrew B.; Houk, K. N.","Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction.","The Journal of organic chemistry","2015","80","24","12058","12075","10.1021/acs.joc.5b02037","","","0.71073","MoKα","","0.0688","0.0444","","","0.083","0.0891","","","","","","0.888","","","","has coordinates","234712","2020-10-21","18:00:00",""
"4036720","7.3976","0.001","7.3976","0.001","13.714","0.002","90","","90","","90","","750.49","0.18","230","2","230","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C5 H10 N6 -","- C5 H10 N6 -","- C20 H40 N24 -","4","0.5","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0322","0.0294","","","0.0821","0.084","","","","","","1.116","","","","has coordinates","235131","2020-10-21","18:00:00",""
"4037128","8.8171","0.0006","8.8171","0.0006","42.31","0.003","90","","90","","90","","3289.2","0.4","97","2","97","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C15 H25 N O5 -","- C15 H25 N O5 -","- C120 H200 N8 O40 -","8","1","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.0615","0.0555","","","0.1267","0.13","","","","","","1.131","","","","has coordinates,has disorder","235694","2020-10-21","18:00:00",""
"4038738","10.7042","0.0001","10.7042","0.0001","30.0297","0.0004","90","","90","","90","","3440.8","0.06","99.8","0.8","99.8","0.8","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C152 H176 O32 -","8","1","","Zhong, Weimao; Chen, Yuchan; Mai, Zhimao; Wei, Xiaoyi; Wang, Junfeng; Zeng, Qi; Chen, Xiayu; Tian, Xinpeng; Zhang, Weimin; Wang, Fazuo; Zhang, Si","Euroticins A and B, Two Pairs of Highly Constructed Salicylaldehyde Derivative Enantiomers from a Marine-Derived Fungus Eurotium sp. SCSIO F452","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01407","","x-ray","1.54184","CuKα","","0.0448","0.0407","","","0.1095","0.1125","","","","","","1.089","","","","has coordinates","256313","2020-10-21","18:00:00",""
"4061243","13.6698","0.0015","13.6698","0.0015","32.116","0.005","90","","90","","90","","6001.3","1.3","294","2","294","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C27 H28 B2 F4 N6 O2 P Ru -","- C27 H25 B2 F1.9995 N6 O2 P Ru -","- C216 H200 B16 F15.996 N48 O16 P8 Ru8 -","8","1","","Man, Man Lok; Zhu, Jun; Ng, Siu Man; Zhou, Zhongyuan; Yin, Chuanqi; Lin, Zhenyang; Lau, Chak Po","Reactions of Hydrotris(pyrazolyl)borate (Tp)-Supported Ruthenium Dihydrogen Complexes [TpRu(L2)(H2)]+(L2= dppm, dppp, (PPh3)2) with O2","Organometallics","2004","23","26","6214","6220","10.1021/om049403o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","287990","2023-12-04","14:54:50",""
"4061335","10.197","0.003","10.197","0.003","38.678","0.018","90","","90","","90","","4022","2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H24 Cl2 O Ti -","- C19 H24 Cl2 O Ti -","- C152 H192 Cl16 O8 Ti8 -","8","1","","Zhang, Yuetao; Mu, Ying; Lv, Chunsheng; Li, Guanghua; Xu, Jiansheng; Zhang, Yanrong; Zhu, Dongsheng; Feng, Shouhua","Constrained Geometry Tetramethylcyclopentadienyl-phenoxytitanium Dichlorides: Template Synthesis, Structures and Catalytic Properties for Ethylene Polymerization","Organometallics","2004","","","","","10.1021/om0306022","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061573","9.3019","0.0006","9.3019","0.0006","31.65","0.003","90","","90","","90","","2738.6","0.4","180","2","180","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C30 H34 P2 S2 -","- C30 H34 P2 S2 -","- C120 H136 P8 S8 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062558","9.209","0.005","9.209","0.005","50.4","0.005","90","","90","","90","","4274","3","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H21 Cl3 N Ni P -","- C20.5 H21 Cl3 N Ni P -","- C164 H168 Cl24 N8 Ni8 P8 -","8","1","","Speiser Fredy; Braunstein Pierre; Saussine Lucien","New nickel ethylene oligomerization catalysts bearing bidentate P,N-phosphinopyridine ligands","Organometallics","2004","","","","","10.1021/om034198i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063665","9.2245","0.0003","9.2245","0.0003","22.8129","0.0007","90","","90","","90","","1941.18","0.11","183","2","183","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H30 Ca O2 -","- C20 H30 Ca O2 -","- C80 H120 Ca4 O8 -","4","0.5","","Fischer, Reinald; Langer, Jens; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Coordination Behavior of Calcocene and Its Use as a Synthon for Heteroleptic Organocalcium Compounds","Organometallics","2011","30","6","1359","","10.1021/om100806f","","","0.71073","MoKα","","0.0498","0.0346","","","0.0758","0.0824","","","","","","1.017","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4064216","12.033","0.0003","12.033","0.0003","19.588","0.0005","90","","90","","90","","2836.21","0.12","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C25 H40 Cl N4 O3 Re -","- C25 H40 Cl N4 O3 Re -","- C100 H160 Cl4 N16 O12 Re4 -","4","0.5","","Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K.","Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors","Organometallics","2011","30","8","2200","","10.1021/om1011853","","","0.71073","MoKα","","0.0366","0.0299","","","0.0697","0.0724","","","","","","1.113","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4065970","12.3785","0.0018","12.3785","0.0018","37.262","0.008","90","","90","","90","","5709.6","1.7","291","2","291","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C31 H30 Cl N2 O P Pd -","- C31 H30 Cl N2 O P Pd -","- C248 H240 Cl8 N16 O8 P8 Pd8 -","8","1","","Zhang, Ben-Shang; Wang, Wei; Shao, Dan-Dan; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes of (Imidazolinyl)aryl Phosphinite Ligands: Synthesis via Ligand C−H Activation, Crystal Structures, and Catalytic Studies","Organometallics","2010","29","11","2579","","10.1021/om100232n","","","0.71073","MoKα","","0.0549","0.0458","","","0.0959","0.1002","","","","","","1.066","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4066221","8.5216","0.0002","8.5216","0.0002","49.3018","0.0017","90","","90","","90","","3580.18","0.17","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C15.5 H19 Cl3 N P Pd -","- C15.5 H19 Cl3 N P Pd -","- C124 H152 Cl24 N8 P8 Pd8 -","8","1","","Chen, Shuli; Ng, Joseph Kok-Peng; Pullarkat, Sumod A.; Liu, Fengli; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of New Diphosphines and Pyridylphosphines via a Kinetic Resolution Process Promoted and Controlled by a Chiral Palladacycle","Organometallics","2010","29","15","3374","","10.1021/om100358g","","","0.71073","MoKα","","0.0534","0.0522","","","0.1308","0.1358","","","","","","1.29","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066622","12.4281","0.0008","12.4281","0.0008","24.766","0.003","90","","90","","90","","3825.3","0.6","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","in manuscript 4b","","","- C27 H24 Au Cl2 F5 N2 -","- C27 H24 Au Cl2 F5 N2 -","- C108 H96 Au4 Cl8 F20 N8 -","4","0.5","","Pažický, Marek; Loos, Annette; Ferreira, Maria João; Serra, Daniel; Vinokurov, Nikolai; Rominger, Frank; Jäkel, Christoph; Hashmi, A. Stephen K.; Limbach, Michael","Synthesis, Reactivity, and Electrochemical Studies of Gold(I) and Gold(III) Complexes Supported by N-Heterocyclic Carbenes and Their Application in Catalysis","Organometallics","2010","29","20","4448","4458","10.1021/om1005484","","","0.71073","MoKα","","0.0734","0.0519","","","0.1559","0.1693","","","","","","1.085","","","","has coordinates","269227","2021-09-21","12:59:03",""
"4067155","11.3479","0.0017","11.3479","0.0017","17.819","0.003","90","","90","","90","","2294.6","0.6","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C18 H40 N4 Zn2 -","- C18 H40 N4 Zn2 -","- C72 H160 N16 Zn8 -","4","0.5","","Schmidt, Sarah; Schulz, Stephan; Bläser, Dieter; Boese, Roland; Bolte, Michael","Synthesis and Structural Characterization of New Zinc Amidinate Complexes","Organometallics","2010","29","22","6097","","10.1021/om1008549","","","0.71073","MoKα","","0.0279","0.0229","","","0.053","0.0548","","","","","","1.046","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067319","8.7244","0.0005","8.7244","0.0005","47.453","0.006","90","","90","","90","","3611.9","0.5","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 43 21 2","P 4nw 2abw","96","","","","- C38 H42 Cl2 N4 Zr -","- C38 H42 Cl2 N4 Zr -","- C152 H168 Cl8 N16 Zr4 -","4","0.5","","El-Zoghbi, Ibrahim; Latreche, Saïda; Schaper, Frank","Zirconium Complexes of Symmetric and of Chiral Diketiminate Ligands: Synthesis, Crystal Structures, and Reactivities","Organometallics","2010","29","7","1551","","10.1021/om900852y","","","0.71073","MoKα","","0.0747","0.0389","","","0.0688","0.0781","","","","","","0.92","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067783","9.1287","0.0001","9.1287","0.0001","35.7743","0.0003","90","","90","","90","","2981.19","0.05","180","2","180","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C26 H52 Mn2 P4 -","- C26 H52 Mn2 P4 -","- C104 H208 Mn8 P16 -","4","0.5","","Stokes, Francesca A.; Less, Robert J.; Haywood, Joanna; Melen, Rebecca L.; Thompson, Richard I.; Wheatley, Andrew E. H.; Wright, Dominic S.; Johansson, Adam Johannes; Kloo, Lars","Structure and Bonding of the Manganese(II) Phosphide Complex (t-BuPH2)(η5-Cp)Mn{μ-(t-BuPH)}2Mn(Cp)(t-BuPH2)","Organometallics","2012","31","1","23","","10.1021/om200381p","","","0.71073","MoKα","","0.0188","0.0186","","","0.0545","0.0546","","","","","","1.242","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4068967","9.0425","0.0001","9.0425","0.0001","29.079","0.0004","90","","90","","90","","2377.7","0.05","200","","200","","","","","","","","from UNSW","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H38 O4 P4 Ru -","- C16 H38 O4 P4 Ru -","- C64 H152 O16 P16 Ru4 -","4","0.5","","Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Willis, Anthony C.","Insertion of CO2into the Ru−C Bonds ofcis-andtrans-Ru(dmpe)2Me2(dmpe = Me2PCH2CH2PMe2)","Organometallics","2009","28","8","2385","","10.1021/om801184k","","","0.71073","MoKα","","0.0186","0.0164","","0.0421","0.0398","0.0421","","","","","","0.8941","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4069306","11.7894","0.0006","11.7894","0.0006","32.052","0.003","90","","90","","90","","4454.9","0.5","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C22 H38 N2 Zr -","- C22 H38 N2 Zr -","- C176 H304 N16 Zr8 -","8","1","","Epshteyn, Albert; Trunkely, Emily F.; Kissounko, Denis A.; Fettinger, James C.; Sita, Lawrence R.","Experimental Modeling of Selective Alkene Oligomerization: Evidence for Facile Metallacyclopentane Dehydrogenation Mediated by a Transannular β-Hydrogen Agostic Interaction","Organometallics","2009","28","8","2520","","10.1021/om900132u","","","0.71073","MoKα","","0.085","0.0458","","","0.1081","0.1246","","","","","","1.021","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4072716","13.4937","0.0003","13.4937","0.0003","35.3988","0.0009","90","","90","","90","","6445.4","0.3","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Bis[μ~3~-1,1,2,2-tetrakis(trimethylsilyl)disilane-1,2-diolato- 1:2K^2^O;2:3K^2^O']-pentamethyltrialuminium","","- C29 H87 Al3 O4 Si12 -","- C29 H87 Al3 O4 Si12 -","- C116 H348 Al12 O16 Si48 -","4","0.5","","Krempner, C.; Reinke, H.; Weichert, K.","Synthesis and Structure of Cyclic Aluminum Disiloxides","Organometallics","2007","26","6","1386","","10.1021/om060969h","","","0.71073","MoKα","","0.0709","0.0563","","","0.1535","0.1651","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4073404","14.9571","0.0007","14.9571","0.0007","21.8098","0.0014","90","","90","","90","","4879.2","0.4","187","2","187","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C45 H66 Lu2 N8 Si2 -","- C45 H66 Lu2 N8 Si2 -","- C180 H264 Lu8 N32 Si8 -","4","0.5","","Yang, Yi; Liu, Bo; Lv, Kui; Gao, Wei; Cui, Dongmei; Chen, Xuesi; Jing, Xiabin","Pyrrolide-Supported Lanthanide Alkyl Complexes. Influence of Ligands on Molecular Structure and Catalytic Activity toward Isoprene Polymerization","Organometallics","2007","26","18","4575","","10.1021/om7003095","","","0.71073","MoKα","","0.0205","0.0184","","","0.0406","0.0411","","","","","","0.965","","","","has coordinates","178623","2020-10-21","18:00:00",""
"4074008","18.0227","0.001","18.0227","0.001","11.2255","0.0008","90","","90","","90","","3646.2","0.4","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C36 H42 Fe2 N2 O6 Pd2 -","- C36 H42 Fe2 N2 O6 Pd2 -","- C144 H168 Fe8 N8 O24 Pd8 -","4","0.5","","Xia, Ji-Bao; You, Shu-Li","Carbon−Carbon Bond Formation through Double sp2C−H Activations: Synthesis of Ferrocenyl Oxazoline Derivatives","Organometallics","2007","26","20","4869","","10.1021/om700806e","","","0.71073","MoKα","","0.0413","0.0335","","","0.0571","0.0591","","","","","","0.89","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074829","16.2011","0.0012","16.2011","0.0012","47.347","0.003","90","","90","","90","","12427.4","1.5","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C112 H84 Cl2 N8 O8 P4 Rh2 -","- C112 H84 Cl2 N8 O8 P4 Rh2 -","- C448 H336 Cl8 N32 O32 P16 Rh8 -","4","0.5","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.1216","0.0873","","","0.2333","0.2727","","","","","","1.031","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4075152","17.1751","0.0003","17.1751","0.0003","25.16","0.0007","90","","90","","90","","7421.8","0.3","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C22 H60 I La N2 Si6 -","- C22 H60 I La N2 Si6 -","- C176 H480 I8 La8 N16 Si48 -","8","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.71073","MoKα","","0.0492","0.0287","","","0.0484","0.0544","","","","","","1.085","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075624","14.7615","0.0008","14.7615","0.0008","31.863","0.003","90","","90","","90","","6943","0.8","294","2","294","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C54 H70 B20 N2 P2 Ru2 Si2 -","- C54 H70 B20 N2 P2 Ru2 Si2 -","- C216 H280 B80 N8 P8 Ru8 Si8 -","4","0.5","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands","Organometallics","2006","25","17","4188","","10.1021/om0604122","","","0.71073","MoKα","","0.0663","0.0463","","","0.1353","0.1534","","","","","","1.134","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4077329","15.1244","0.0006","15.1244","0.0006","28.291","0.0015","90","","90","","90","","6471.5","0.5","223","2","223","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C66 H57 N2 O5 P4 Ru2 -","- C66 H57 N2 O5 P4 Ru2 -","- C264 H228 N8 O20 P16 Ru8 -","4","0.5","","Gao, Yuan; Jennings, Michael C.; Puddephatt, Richard J.; Jenkins, Hilary A.","Synthesis and Reactivity of a Diruthenium Diazoalkane Complex","Organometallics","2001","20","16","3500","","10.1021/om0102293","","","0.71073","MoKα","","0.0747","0.0576","","","0.1495","0.1602","","","","","","1.106","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00",""
"4077867","18.723","0.0004","18.723","0.0004","23.0827","0.0004","90","","90","","90","","8091.7","0.3","200","","200","","","","","","","","?","6","P 43 21 2","P 4nw 2abw","96","","","","- C43 H39 As F6 O1.5 P2 -","- C41 H35 As F6 O P2 -","- C328 H280 As8 F48 O8 P16 -","8","1","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.1207","0.0389","","0.0584","0.0412","0.0412","","","","","","0.8645","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078145","15.43","0.002","15.43","0.002","58.65","0.012","90","","90","","90","","13964","4","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C52 H82 B3 F12 N3 O7 Os3 -","- C52 H72 B3 F12 N3 O7 Os3 -","- C416 H576 B24 F96 N24 O56 Os24 -","8","1","","Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando","Half-Sandwich Complexes of Osmium(II) withl-α-Amino Carboxylate Ligands as Asymmetric Transfer Hydrogenation Catalysts. On the Origin of the Enantioselectivity","Organometallics","2012","31","8","3333","","10.1021/om3001394","","","0.71073","MoKα","","0.1061","0.0584","","","0.1121","0.1227","","","","","","0.893","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078436","8.2533","0.0012","8.2533","0.0012","27.378","0.006","90","","90","","90","","1864.9","0.6","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H26 Cl2 Li N2 Ti -","- C16 H26 Cl2 Li N2 Ti -","- C64 H104 Cl8 Li4 N8 Ti4 -","4","0.5","","Arp, Henning; Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith; Rasmussen, Kenneth; Zark, Patrick; Müller, Thomas","Synthesis of Oligosilanyl Compounds of Group 4 Metallocenes with the Oxidation State +3.","Organometallics","2012","31","11","4309","4319","10.1021/om3001873","","","0.71073","MoKα","","0.0597","0.0568","","","0.1158","0.1171","","","","","","1.255","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078869","11.1275","0.0007","11.1275","0.0007","36.035","0.005","90","","90","","90","","4461.9","0.7","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C28 H76 Li2 Mg N4 Si4 -","- C28 H76 Li2 Mg N4 Si4 -","- C112 H304 Li8 Mg4 N16 Si16 -","4","0.5","","Baillie, Sharon E.; Clegg, William; Garc\?ía-Álvarez, Pablo; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Synthesis, Structural Elucidation, and Diffusion-Ordered NMR Studies of Homoleptic Alkyllithium Magnesiates: Donor-Controlled Structural Variations in Mixed-Metal Chemistry","Organometallics","2012","31","14","5131","","10.1021/om300477m","","","0.71073","MoKα","","0.1544","0.0478","","","0.0883","0.0991","","","","","","0.695","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4079312","12.2935","0.0006","12.2935","0.0006","29.6984","0.0017","90","","90","","90","","4488.3","0.4","200","2","200","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C41 H53 Cl4 Cr Li2 O4 P2 -","- C41 H53 Cl4 Cr Li2 O4 P2 -","- C164 H212 Cl16 Cr4 Li8 O16 P8 -","4","0.5","","Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob","Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity","Organometallics","2012","31","17","6438","","10.1021/om300673u","","","0.71073","MoKα","","0.044","0.0392","","","0.095","0.0986","","","","","","1.033","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079658","16.1135","0.0006","16.1135","0.0006","42.1276","0.0011","90","","90","","90","","10938.2","0.6","180","2","180.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C27 H36 Au Cl N2 O2 -","- C27 H36 Au Cl N2 O2 -","- C432 H576 Au16 Cl16 N32 O32 -","16","2","","Banerjee, Dipshikha; Buzas, Andrea K.; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Gold Complexes: Synthesis, Properties, and Application in Asymmetric Catalysis","Organometallics","2012","31","23","8348","","10.1021/om300917m","","","1.5418","CuKα","","0.0548","0.0486","","","0.1192","0.1294","","","","","","1.059","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4080320","8.52423","0.00014","8.52423","0.00014","38.5227","0.0012","90","","90","","90","","2799.16","0.11","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C24 H33 I2 N3 O2 U -","- C24 H33 I2 N3 O2 U -","- C96 H132 I8 N12 O8 U4 -","4","0.5","","Mora, Elsa; Maria, Leonor; Biswas, Biplab; Camp, Clément; Santos, Isabel C.; Pécaut, Jacques; Cruz, Adelaide; Carretas, José M.; Marçalo, Joaquim; Mazzanti, Marinella","Diamine Bis(phenolate) as Supporting Ligands in Organoactinide(IV) Chemistry. Synthesis, Structural Characterization, and Reactivity of Stable Dialkyl Derivatives","Organometallics","2013","32","5","1409","","10.1021/om3010806","","","0.71073","MoKα","","0.0693","0.0439","","","0.0806","0.0845","","","","","","1.056","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080464","11.3453","0.0016","11.3453","0.0016","27.492","0.006","90","","90","","90","","3538.7","1","173","","173","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C37 H40 N12 Ni2 O5 -","- C37 H40 N12 Ni2 O5 -","- C148 H160 N48 Ni8 O20 -","4","0.5","","Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.","Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes","Organometallics","2013","32","6","1913","","10.1021/om4000133","","","0.71073","MoKα","","0.0324","0.0296","","","0.0723","0.0738","","","","","","1.083","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080766","16.0903","0.0005","16.0903","0.0005","24.508","0.0017","90","","90","","90","","6345.1","0.5","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C33 H46 B O3 Ru3 -","- C33 H46 B O3 Ru3 -","- C264 H368 B8 O24 Ru24 -","8","1","","Yuvaraj, K.; Roy, Dipak Kumar; Geetharani, K.; Mondal, Bijan; Anju, V. P.; Shankhari, Pritam; Ramkumar, V.; Ghosh, Sundargopal","Chemistry of Homo- and Heterometallic Bridged-Borylene Complexes","Organometallics","2013","32","9","2705","","10.1021/om400167f","","","0.71073","MoKα","","0.0447","0.0389","","","0.0943","0.098","","","","","","1.057","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4081321","9.0114","0.0003","9.0114","0.0003","21.0622","0.0016","90","","90","","90","","1710.36","0.15","223","2","223","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H18 Au Br3 N2 -","- C13 H18 Au Br3 N2 -","- C52 H72 Au4 Br12 N8 -","4","0.5","","Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin","Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III)","Organometallics","2013","32","16","4591","","10.1021/om400563e","","","0.71073","MoKα","","0.0221","0.021","","","0.0494","0.0497","","","","","","1.074","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081322","9.3135","0.0012","9.3135","0.0012","21.152","0.004","90","","90","","90","","1834.8","0.5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H18 Au I3 N2 -","- C13 H18 Au I3 N2 -","- C52 H72 Au4 I12 N8 -","4","0.5","","Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin","Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III)","Organometallics","2013","32","16","4591","","10.1021/om400563e","","","0.71073","MoKα","","0.0269","0.0267","","","0.066","0.0661","","","","","","1.146","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081706","10.2435","0.00013","10.2435","0.00013","43.704","0.0007","90","","90","","90","","4585.83","0.11","120","0.1","120.01","0.1","","","","","","","synthesis as described","5","P 43 21 2","P 4nw 2abw","96","","","","- C48 H74 Mg N4 O -","- C48 H74 Mg N4 O -","- C192 H296 Mg4 N16 O4 -","4","0.5","","Schwamm, Ryan J.; Coles, Martyn P.","Catalytic C‒C Bond Formation Promoted by Organo- and Amidomagnesium(II) Compounds","Organometallics","2013","32","19","5277","","10.1021/om400909e","","","1.5418","CuKα","","0.0399","0.0365","","","0.0918","0.094","","","","","","1.044","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4082030","11.7715","0.0006","11.7715","0.0006","29.608","0.003","90","","90","","90","","4102.7","0.5","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H52 Cu F6 N4 P -","- C44 H52 Cu F6 N4 P -","- C176 H208 Cu4 F24 N16 P4 -","4","0.5","","Guo, Shuai; Lim, Miao Hui; Huynh, Han Vinh","Copper(I) Heteroleptic Bis(NHC) and Mixed NHC/Phosphine Complexes: Syntheses and Catalytic Activities in the One-Pot Sequential CuAAC Reaction of Aromatic Amines","Organometallics","2013","32","23","7225","","10.1021/om400911u","","","0.71073","MoKα","","0.0533","0.0413","","","0.1097","0.1197","","","","","","1.089","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082921","18.5291","0.0016","18.5291","0.0016","14.087","0.002","90","","90","","90","","4836.5","0.9","293","2","293","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C44.5 H38.5 Br2 Cl1.5 N4 O Pd2 S2 -","- C44.5 H38.5 Br2 Cl1.5 N4 O Pd2 S2 -","- C178 H154 Br8 Cl6 N16 O4 Pd8 S8 -","4","0.5","","Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh","Template-Directed Synthesis of Palladium(II) Sulfonate-NHC Complexes and Catalytic Studies in Aqueous Mizoroki‒Heck Reactions","Organometallics","2014","33","7","1794","","10.1021/om500140g","","","0.71073","MoKα","","0.0581","0.0483","","","0.1425","0.1501","","","","","","1.073","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083115","9.9601","0.0009","9.9601","0.0009","14.2312","0.0015","90","","90","","90","","1411.8","0.2","100","1","100","1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H20 Bi2 Te -","- C8 H20 Bi2 Te -","- C32 H80 Bi8 Te4 -","4","0.5","","Heimann, Stefan; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Solid-State Structures of Bis(diethylbismuthanyl)sulfane, -selenane, and -tellurane","Organometallics","2014","33","9","2295","","10.1021/om500208c","","","0.71073","MoKα","","0.0195","0.0176","","","0.0444","0.0451","","","","","","1.106","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083117","19.995","0.002","19.995","0.002","13.2569","0.0016","90","","90","","90","","5300.1","1","240","1","240","1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H20 Bi2 S -","- C8 H20 Bi2 S -","- C128 H320 Bi32 S16 -","16","2","","Heimann, Stefan; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Solid-State Structures of Bis(diethylbismuthanyl)sulfane, -selenane, and -tellurane","Organometallics","2014","33","9","2295","","10.1021/om500208c","","","0.71073","MoKα","","0.0637","0.0337","","","0.0558","0.063","","","","","","1.053","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083790","13.587","0.0019","13.587","0.0019","35.221","0.007","90","","90","","90","","6502","1.8","120","2","120","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C31.5 H34.5 B0.5 F12 Ir0.5 N0.5 P -","- C31.5 H34.5 B0.5 F12 Ir0.5 N0.5 P -","- C252 H276 B4 F96 Ir4 N4 P8 -","8","1","","Ben-Ari, Eyal; Cohen, Revital; Gandelman, Mark; Shimon, Linda J. W.; Martin, Jan M. L.; Milstein, David","orthoC−H Activation of Haloarenes and Anisole by an Electron-Rich Iridium(I) Complex: Mechanism and Origin of Regio- and Chemoselectivity. An Experimental and Theoretical Study","Organometallics","2006","25","13","3190","","10.1021/om060078+","","","0.71073","MoKα","","0.0333","0.0284","","","0.0641","0.0653","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083969","14.88","0.002","14.88","0.002","34.579","0.007","90","","90","","90","","7656","2","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C87 H110 O Sn2 -","- C87 H110 O Sn2 -","- C348 H440 O4 Sn8 -","4","0.5","","Henning, Jens; Eichele, Klaus; Fink, Reinhold F.; Wesemann, Lars","Structural and Spectroscopic Characterization of Tin‒Tin Double Bonds in Cyclic Distannenes","Organometallics","2014","33","14","3904","","10.1021/om500645b","","","0.71073","MoKα","","0.0401","0.0345","","","0.0753","0.0772","","","","","","1.106","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4084186","8.6832","0.0006","8.6832","0.0006","27.1984","0.0013","90","","90","","90","","2050.7","0.2","100","","100","","","","","","","","toluene","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H38 B2 S2 -","- C20 H38 B2 S2 -","- C80 H152 B8 S8 -","4","0.5","","Seidel, Günter; Fürstner, Alois","A Novel Boron Heterocycle Comprised of an Inner Boronium/Borate Adduct","Organometallics","2014","33","16","4336","","10.1021/om500619x","","","0.71073","MoKα","","0.1225","0.068","","","0.1475","0.1701","","","","","","1.032","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084991","11.9477","0.0002","11.9477","0.0002","32.6793","0.001","90","","90","","90","","4664.89","0.18","123","2","123","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H29 N Pd Si -","- C24 H29 N Pd Si -","- C192 H232 N8 Pd8 Si8 -","8","1","","Koller, Stephan G.; Martín-Romo, Raquel; Melero, José S.; Colquhoun, Victoria P.; Schildbach, Daniel; Strohmann, Carsten; Villafañe, Fernando","Structural Consequences of an Extreme Difference between theTransInfluence of the Donor Atoms in a Palladacycle","Organometallics","2014","33","24","7329","","10.1021/om501100y","","","0.71073","MoKα","","0.0247","0.0228","","","0.0612","0.0621","","","","","","1.034","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4085014","18.305","0.005","18.305","0.005","19.061","0.005","90","","90","","90","","6387","3","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C33 H43 N3 O3 Re -","- C33 H43 N3 O3 Re -","- C264 H344 N24 O24 Re8 -","8","1","","Vollmer, Matthew V.; Machan, Charles W.; Clark, Melissa L.; Antholine, William E.; Agarwal, Jay; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Walensky, Justin R.","Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO)3Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO2 Reduction.","Organometallics","2014","34","1","3","12","10.1021/om500838z","","","0.71073","MoKα","","0.0317","0.0241","","","0.0459","0.0484","","","","","","1.035","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085065","16.2274","0.0002","16.2274","0.0002","13.1725","0.0003","90","","90","","90","","3468.69","0.1","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C38 H40 Cl Fe N3 O4 -","- C38 H40 Cl Fe N3 O4 -","- C152 H160 Cl4 Fe4 N12 O16 -","4","0.5","","Bauer, Gerald; Wodrich, Matthew D.; Scopelliti, Rosario; Hu, Xile","Iron Pincer Complexes as Catalysts and Intermediates in Alkyl‒Aryl Kumada Coupling Reactions","Organometallics","2015","34","1","289","","10.1021/om501122p","","","1.54178","CuKα","","0.0373","0.0306","","","0.0804","0.084","","","","","","1.046","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4086170","10.954","0.0004","10.954","0.0004","41.6585","0.0019","90","","90","","90","","4998.6","0.3","100","2","100","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","[Fe(CNtBu)2(NPPN)](BF4)2 ú 0.70 H2O","","","- C50 H65.39 B2 F8 Fe N4 O0.7 P2 -","- C50 H65.396 B2 F8 Fe N4 O0.698 P2 -","- C200 H261.584 B8 F32 Fe4 N16 O2.792 P8 -","4","0.5","","Huber, Raffael; Bigler, Raphael; Mezzetti, Antonio","Chiral Iron(II) NPPN Complexes: Synthesis and Application in the Asymmetric Strecker Reaction of Azomethine Imines","Organometallics","2015","34","13","3374","","10.1021/acs.organomet.5b00357","","","0.71073","MoKα","","0.0468","0.0393","","","0.0911","0.0948","","","","","","1.076","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086171","11.2303","0.0005","11.2303","0.0005","44.95","0.003","90","","90","","90","","5669.1","0.5","101","2","101","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","[Fe(CNSi Me3)2(NPPN)](SbF6)2","","","- C48 H64 F12 Fe N4 P2 Sb2 Si2 -","- C48 H64 F12 Fe N4 P2 Sb2 Si2 -","- C192 H256 F48 Fe4 N16 P8 Sb8 Si8 -","4","0.5","","Huber, Raffael; Bigler, Raphael; Mezzetti, Antonio","Chiral Iron(II) NPPN Complexes: Synthesis and Application in the Asymmetric Strecker Reaction of Azomethine Imines","Organometallics","2015","34","13","3374","","10.1021/acs.organomet.5b00357","","","0.71073","MoKα","","0.1143","0.0744","","","0.1609","0.1738","","","","","","1.103","","","","has coordinates,has disorder","152778","2020-10-21","18:00:00",""
"4086476","5.8849","0.0002","5.8849","0.0002","21.4266","0.0009","90","","90","","90","","742.05","0.05","110","5","110","5","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C6 H2 F2 N2 O4 -","- C6 H2 F2 N2 O4 -","- C24 H8 F8 N8 O16 -","4","0.5","","Korb, Marcus; Swarts, Pieter J.; Miesel, Dominique; Hildebrandt, Alexander; Swarts, Jannie C.; Lang, Heinrich","Nucleophilic Aromatic Substitution Reactions for the Synthesis of Ferrocenyl Aryl Ethers","Organometallics","2016","35","9","1287","","10.1021/acs.organomet.6b00157","","","0.71073","MoKα","","0.0434","0.0362","","","0.081","0.0869","","","","","","1.073","","","","has coordinates","183605","2020-10-21","18:00:00",""
"4086884","12.3234","0.001","12.3234","0.001","31.719","0.003","90","","90","","90","","4817","0.7","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H84 Al3 Cr O12 -","- C36 H84 Al3 Cr O12 -","- C144 H336 Al12 Cr4 O48 -","4","0.5","","Delley, Murielle F.; Silaghi, Marius-C.; Nuñez-Zarur, Francisco; Kovtunov, Kirill V.; Salnikov, Oleg G.; Estes, Deven P.; Koptyug, Igor V.; Comas-Vives, Aleix; Copéret, Christophe","X‒H Bond Activation on Cr(III),O Sites (X = R, H): Key Steps in Dehydrogenation and Hydrogenation Processes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00744","","x-ray","0.71073","MoKα","","0.0411","0.0386","","","0.1257","0.128","","","","","","1.142","","","","has coordinates","189680","2020-10-21","18:00:00",""
"4087060","9.665","0.005","9.665","0.005","23.059","0.005","90","0.005","90","0.005","90","0.005","2154","1.6","291","2","291","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C124 H88 N8 -","4","0.5","","He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua","Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications","Organometallics","2017","","","","","10.1021/acs.organomet.7b00024","","","1.54184","CuKα","","0.0352","0.0345","","","0.0949","0.0959","","","","","","1.1","","","","has coordinates","192256","2020-10-21","18:00:00",""
"4088110","13.8458","0.0016","13.8458","0.0016","39.21","0.005","90","","90","","90","","7516.8","1.6","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C45 H42 P2 Ru S -","- C45 H42 P2 Ru S -","- C360 H336 P16 Ru8 S8 -","8","1","","Hu, Yue; Shaw, Anthony P.; Guan, Hairong; Norton, Jack R.; Sattler, Wesley; Rong, Yi","Synthesis and Resolution of Chiral Ruthenium Complexes Containing the 1-Me-3-PhCp Ligand","Organometallics","2015","35","1","39","","10.1021/acs.organomet.5b00852","","","0.71073","MoKα","","0.0463","0.0363","","","0.08","0.0836","","","","","","1.236","","","","has coordinates","237279","2020-10-21","18:00:00",""
"4088729","9.1615","0.0002","9.1615","0.0002","36.3296","0.001","90","","90","","90","","3049.26","0.13","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","BTe6H","","","- C14 H21 B O2 Te -","- C14 H21 B O2 Te -","- C112 H168 B8 O16 Te8 -","8","1","","Torres Delgado, William; Shahin, Fatemeh; Ferguson, Michael J.; McDonald, Robert; He, Gang; Rivard, Eric","Selective Placement of Bromide and Pinacolboronate Groups about a Tellurophene: New Building Blocks for Optoelectronic Applications","Organometallics","2016","35","12","2140","","10.1021/acs.organomet.6b00362","","","1.54178","CuKα","","0.0228","0.0226","","","0.0562","0.0563","","","","","","1.068","","","","has coordinates,has disorder","237792","2020-10-21","18:00:00",""
"4100545","11.647","0.003","11.647","0.003","26.381","0.008","90","","90","","90","","3578.5","1.5","213","2","213","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H32 Cl2 Ni P2 -","- C44 H32 Cl2 Ni P2 -","- C176 H128 Cl8 Ni4 P8 -","4","0.5","","Evans, David A.; Thomson, Regan J.","Ni(II) Tol-BINAP-Catalyzed Enantioselective Orthoester Alkylations of N-Acylthiazolidinethiones","Journal of the American Chemical Society","2005","127","30","10506","10507","10.1021/ja053386s","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4101412","14.646","0.002","14.646","0.002","32.517","0.007","90","","90","","90","","6975","2","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C78 H90 N6 Ni O8 -","- C78 H90 N6 Ni O8 -","- C312 H360 N24 Ni4 O32 -","4","0.5","","Dong, Zhenzhen; Karpowicz, Jr, Richard J; Bai, Shi; Yap, Glenn P A; Fox, Joseph M","Control of absolute helicity in single-stranded abiotic metallofoldamers.","Journal of the American Chemical Society","2006","128","44","14242","14243","10.1021/ja065721y","","","0.71073","MoKα","","0.1106","0.0834","","","0.2229","0.2493","","","","","","1.028","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101413","14.755","0.002","14.755","0.002","32.076","0.006","90","","90","","90","","6983","1.9","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C80 H90 N6 Ni O12 -","- C80 H90 N6 Ni O12 -","- C320 H360 N24 Ni4 O48 -","4","0.5","","Dong, Zhenzhen; Karpowicz, Jr, Richard J; Bai, Shi; Yap, Glenn P A; Fox, Joseph M","Control of absolute helicity in single-stranded abiotic metallofoldamers.","Journal of the American Chemical Society","2006","128","44","14242","14243","10.1021/ja065721y","","","0.71073","MoKα","","0.0743","0.0564","","","0.1508","0.1796","","","","","","1.023","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101599","11.8743","0.0005","11.8743","0.0005","33.2046","0.0009","90","","90","","90","","4681.8","0.3","150","1","150","1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C46 H44 B2 F8 Fe N4 P2 -","- C46 H44 B2 F8 Fe N4 P2 -","- C184 H176 B8 F32 Fe4 N16 P8 -","4","0.5","","Mikhailine, Alexandre; Lough, Alan J.; Morris, Robert H.","Efficient Asymmetric Transfer Hydrogenation of Ketones Catalyzed by an Iron Complex Containing a P-N-N-P Tetradentate Ligand Formed by Template Synthesis","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1394","","10.1021/ja809493h","","","0.71073","MoKα","","0.1301","0.0667","","","0.1381","0.1597","","","","","","0.931","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101802","9.0402","0.0004","9.0402","0.0004","25.26","0.003","90","","90","","90","","2064.4","0.3","298","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","1","","","- C20 H16 S4 Si2 -","- C20 H16 S4 Si2 -","- C80 H64 S16 Si8 -","4","0.5","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0296","0.028","","","0.0709","0.0727","","","","","","1.051","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4102434","15.826","0.002","15.826","0.002","21.639","0.006","90","","90","","90","","5419.8","1.8","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0831","0.0783","","","0.2143","0.2177","","","","","","1.133","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102437","15.937","0.002","15.937","0.002","21.884","0.007","90","","90","","90","","5558","2","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0672","0.0578","","","0.1607","0.1671","","","","","","1.106","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102438","15.8926","0.0019","15.8926","0.0019","21.972","0.005","90","","90","","90","","5549.6","1.6","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0685","0.0554","","","0.1533","0.165","","","","","","1.052","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102443","15.8731","0.001","15.8731","0.001","21.776","0.003","90","","90","","90","","5486.6","0.9","123","2","123","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C53 H40 Cd Cl2 N12 O9 S -","- C53 H40 Cd Cl2 N12 O9 S -","- C212 H160 Cd4 Cl8 N48 O36 S4 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0708","0.0632","","","0.169","0.1749","","","","","","1.097","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102444","15.877","0.0012","15.877","0.0012","21.806","0.003","90","","90","","90","","5496.8","1","123","2","123","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C53 H40 Cd Cl2 N12 O9 S -","- C53 H40 Cd Cl2 N12 O9 S -","- C212 H160 Cd4 Cl8 N48 O36 S4 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0756","0.0706","","","0.1819","0.1856","","","","","","1.165","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102445","15.8721","0.0009","15.8721","0.0009","21.636","0.003","90","","90","","90","","5450.6","0.9","123","2","123","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C53 H40 Cd Cl2 N12 O9 S -","- C53 H40 Cd Cl2 N12 O9 S -","- C212 H160 Cd4 Cl8 N48 O36 S4 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0651","0.0595","","","0.1659","0.1698","","","","","","1.14","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102449","15.8832","0.0012","15.8832","0.0012","21.7","0.003","90","","90","","90","","5474.4","1","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0612","0.0531","","","0.1429","0.1482","","","","","","1.067","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102452","15.88","0.0013","15.88","0.0013","21.505","0.003","90","","90","","90","","5423","1","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.074","0.0521","","","0.131","0.143","","","","","","1.041","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102453","15.8809","0.0012","15.8809","0.0012","21.81","0.003","90","","90","","90","","5500.5","1","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0678","0.0563","","","0.1521","0.1616","","","","","","1.067","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102454","15.8508","0.0009","15.8508","0.0009","21.766","0.002","90","","90","","90","","5468.7","0.7","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H50 Cd Cl2 N14 O8 -","- C60 H50 Cd Cl2 N14 O8 -","- C240 H200 Cd4 Cl8 N56 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0571","0.0543","","","0.154","0.1559","","","","","","1.107","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102455","15.8548","0.001","15.8548","0.001","21.746","0.003","90","","90","","90","","5466.4","0.9","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H50 Cd Cl2 N14 O8 -","- C60 H50 Cd Cl2 N14 O8 -","- C240 H200 Cd4 Cl8 N56 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0498","0.0482","","","0.1381","0.1398","","","","","","1.086","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102456","15.8029","0.0019","15.8029","0.0019","21.845","0.005","90","","90","","90","","5455.4","1.6","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H50 Cd Cl2 N14 O8 -","- C60 H50 Cd Cl2 N14 O8 -","- C240 H200 Cd4 Cl8 N56 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0539","0.0498","","","0.1353","0.1404","","","","","","1.081","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102457","15.8562","0.0013","15.8562","0.0013","21.765","0.004","90","","90","","90","","5472.1","1.2","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H50 Cd Cl2 N14 O8 -","- C60 H50 Cd Cl2 N14 O8 -","- C240 H200 Cd4 Cl8 N56 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0534","0.0505","","","0.1416","0.1444","","","","","","1.08","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102782","13.8976","0.0004","13.8976","0.0004","35.5493","0.0013","90","","90","","90","","6866.1","0.4","173.1","","173.1","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C88 H64 Cl2 Cu2 P4 -","- C88 H64 Cl2 Cu2 P4 -","- C352 H256 Cl8 Cu8 P16 -","4","0.5","","Gaku Hattori; Ken Sakata; Hiroshi Matsuzawa; Yoshiaki Tanabe; Yoshihiro Miyake; Yoshiaki Nishibayashi","Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates","Journal of the American Chemical Society","2010","132","","10592","10608","10.1021/ja1047494","","","0.71075","MoKα","","","0.0451","","","","0.129","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103148","15.1812","0.0018","15.1812","0.0018","52.476","0.006","90","","90","","90","","12094","2","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C152 H142 Fe2 N4 O10 -","- C152 H100 Fe2 N4 O10 -","- C608 H400 Fe8 N16 O40 -","4","0.5","","Hiromichi Egami; Kenji Matsumoto; Takuya Oguma; Takashi Kunisu; Tsutomu Katsuki","Enantioenriched Synthesis of C1-Symmetric BINOLs: Iron-Catalyzed Cross-Coupling of 2-Naphthols and Some Mechanistic Insight","Journal of the American Chemical Society","2010","132","","13633","13635","10.1021/ja105442m","","","0.71073","MoKα","","0.0817","0.0688","","","0.1985","0.2076","","","","","","1.106","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103401","10.518","0.002","10.518","0.002","39.449","0.009","90","","90","","90","","4364.2","1.5","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C34 H40 Br2 N6 O13 S2 -","- C34 H40 Br2 N6 O13 S2 -","- C136 H160 Br8 N24 O52 S8 -","4","0.5","","Xianxing Jiang; Yiming Cao; Yiqing Wang; Luping Liu; Fangfang Shen; Rui Wang","A Unique Approach to the Concise Synthesis of Highly Optically Active Spirooxazolines and the Discovery of a More Potent Oxindole-Type Phytoalexin Analogue","Journal of the American Chemical Society","2010","132","","15328","15333","10.1021/ja106349m","","","0.71073","MoKα","","0.2007","0.0924","","","0.2399","0.3173","","","","","","0.975","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4105146","9.9248","0.0014","9.9248","0.0014","67.014","0.013","90","","90","","90","","6601","1.8","150","1","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C72 H84 Fe6 Si6 -","- C72 H84 Fe6 Si6 -","- C288 H336 Fe24 Si24 -","4","0.5","","David E. Herbert; Joe B. Gilroy; Wing Yan Chan; Laurent Chabanne; Anne Staubitz; Alan J. Lough; Ian Manners","Redox-Active Metallomacrocycles and Cyclic Metallopolymers: Photocontrolled Ring-Opening Oligomerization and Polymerization of Silicon-Bridged [1]Ferrocenophanes Using Substitutionally-Labile Lewis Bases as Initiators","Journal of the American Chemical Society","2009","131","","14958","14968","10.1021/ja904928c","","","0.71073","MoKα","","0.1014","0.055","","","0.1045","0.1255","","","","","","1.069","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105356","12.0825","0.0008","12.0825","0.0008","17.397","0.0011","90","","90","","90","","2539.7","0.3","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C30 H30 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","0.5","","Marwan W. Ghosn; Christian Wolf","Chiral Amplification with a Stereodynamic Triaryl Probe: Assignment of the Absolute Configuration and Enantiomeric Excess of Amino Alcohols","Journal of the American Chemical Society","2009","131","","16360","16361","10.1021/ja907741v","","","0.71073","MoKα","","0.0551","0.0484","","","0.1184","0.123","","","","","","1.062","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105424","12.3808","0.0004","12.3808","0.0004","32.558","0.002","90","","90","","90","","4990.6","0.4","150","2","150","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C40 H46 Ag2 F6 N10 O8 S2 -","- C38 H46 Ag2 N10 O2 -","- C152 H184 Ag8 N40 O8 -","4","0.5","","Lei-lei Tian; Chun Wang; Sandipan Dawn; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Macrocycles with Switchable exo/endo Metal Binding Sites","Journal of the American Chemical Society","2009","131","","17620","17629","10.1021/ja906474z","","","0.71073","MoKα","","0.0648","0.0513","","","0.1182","0.1241","","","","","","0.988","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105741","13.6511","0.0006","13.6511","0.0006","26.5755","0.0012","90","","90","","90","","4952.4","0.4","143","2","143","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C50 H52 Au2 Cl4 P2 -","- C50 H50 Au2 Cl4.004 P2 -","- C200 H200 Au8 Cl16.016 P8 -","4","0.5","","Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste","Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones","Journal of the American Chemical Society","2011","133","","3517","3527","10.1021/ja1095045","","","0.71073","MoKα","","0.0162","0.0152","","","0.0413","0.0419","","","","","","1.03","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4106395","16.272","0.003","16.272","0.003","28.578","0.005","90","","90","","90","","7567","2","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C70 H110 Fe2 N8 Sc2 Si4 -","- C70 H110 Fe2 N8 Sc2 Si4 -","- C280 H440 Fe8 N32 Sc8 Si16 -","4","0.5","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.0605","0.0391","","","0.0888","0.0995","","","","","","1.019","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106977","13.9103","0.0005","13.9103","0.0005","35.535","0.003","90","","90","","90","","6875.9","0.7","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C88 H64 Cl2 Ni2 P4 -","- C88 H64 Cl2 Ni2 P4 -","- C352 H256 Cl8 Ni8 P16 -","4","0.5","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","1.54178","CuKα","","0.0459","0.0358","","","0.0777","0.0815","","","","","","1.032","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106978","13.915","0.0002","13.915","0.0002","35.875","0.0008","90","","90","","90","","6946.4","0.2","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C88 H64 Br2 Ni2 P4 -","- C88 H64 Br2 Ni2 P4 -","- C352 H256 Br8 Ni8 P16 -","4","0.5","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","1.54178","CuKα","","0.0356","0.034","","","0.0911","0.0923","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107492","10.553","0.0006","10.553","0.0006","50.011","0.002","90","","90","","90","","5569.5","0.5","153","2","153","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C47 H62 F3 O11 P2 Rh S3 -","- C47 H62 F3 O11 P2 Rh S3 -","- C188 H248 F12 O44 P8 Rh4 S12 -","4","0.5","","Cisco Bee; Soo Bong Han; Abbas Hassan; Hiroki Iida; Michael J. Krische","Diastereo- and Enantioselective Hydrogenative Aldol Coupling of Vinyl Ketones: Design of Effective Monodentate TADDOL-Like Phosphonite Ligands","Journal of the American Chemical Society","2008","130","","2746","2747","10.1021/ja710862u","","","0.71073","MoKα","","0.1445","0.1078","","","0.2592","0.274","","","","","","1.268","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107665","16.5628","0.0004","16.5628","0.0004","16.0229","0.0007","90","","90","","90","","4395.5","0.2","187","2","187","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H63 Cl2 Gd N2 O4 -","- C44 H63 Cl2 Gd N2 O4 -","- C176 H252 Cl8 Gd4 N8 O16 -","4","0.5","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.0262","0.0236","","","0.053","0.0542","","","","","","1.058","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107668","16.5158","0.001","16.5158","0.001","16.0486","0.0013","90","","90","","90","","4377.6","0.5","273","2","273","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H63 Cl2 Dy N2 O4 -","- C44 H63 Cl2 Dy N2 O4 -","- C176 H252 Cl8 Dy4 N8 O16 -","4","0.5","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.0264","0.0236","","","0.0528","0.0539","","","","","","1.066","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107670","16.4433","0.0004","16.4433","0.0004","16.0756","0.0008","90","","90","","90","","4346.6","0.3","187","2","187","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H63 Cl2 Lu N2 O4 -","- C44 H63 Cl2 Lu N2 O4 -","- C176 H252 Cl8 Lu4 N8 O16 -","4","0.5","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.0165","0.0155","","","0.038","0.0385","","","","","","1.071","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107800","15.4249","0.0009","15.4249","0.0009","55.881","0.006","90","","90","","90","","13295.6","1.8","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C55.5 H84.5 Cl4.5 N9 O12 -","- C55 H84 Cl3 N9 O12 -","- C440 H672 Cl24 N72 O96 -","8","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.1171","0.1086","","","0.2791","0.2851","","","","","","1.112","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4109318","17.872","0.002","17.872","0.002","33.61","0.004","90","","90","","90","","10735","2","273.2","","","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C46 H38 Cl Co N2 O2 Pd -","- C46 H38 Cl Co N2 O10.31 Pd -","- C368 H304 Cl8 Co8 N16 O82.48 Pd8 -","8","1","","Mary P. Watson; Larry E. Overman; Robert G. Bergman","Kinetic and Computational Analysis of the Palladium(II)-Catalyzed Asymmetric Allylic Trichloroacetimidate Rearrangement: Development of a Model for Enantioselectivity","Journal of the American Chemical Society","2007","129","","5031","5044","10.1021/ja0676962","","","0.7107","MoKα","","0.1095","0.0543","","0.0637","","0.0544","","","","","","1.752","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109338","11.1918","0.0016","11.1918","0.0016","31.561","0.006","90","","90","","90","","3953.2","1.1","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","SIMOF-4a","","","- C34 H42 N4 Ni O14 -","- C34 H32 N4 Ni O14 -","- C136 H128 N16 Ni4 O56 -","4","0.5","","Zhuojia Lin; Alexandra M. Z. Slawin; Russell E. Morris","Chiral Induction in the Ionothermal Synthesis of a 3-D Coordination Polymer","Journal of the American Chemical Society","2007","129","","4880","4881","10.1021/ja070671y","","","0.7848","synchrotron","","0.0631","0.0506","","","0.1199","0.1276","","","","","","1.039","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109483","14.3934","0.0006","14.3934","0.0006","54.305","0.003","90","","90","","90","","11250.4","0.9","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C46 H84 N8 O15 -","- C46 H84 N8 O15 -","- C368 H672 N64 O120 -","8","1","","Amie K. Boal; Ivan Guryanov; Alessandro Moretto; Marco Crisma; Erica L. Lanni; Claudio Toniolo; Robert H. Grubbs; Daniel J. O'Leary","Facile and E-Selective Intramolecular Ring-Closing Metathesis Reactions in 310-Helical Peptides: A 3D Structural Study","Journal of the American Chemical Society","2007","129","","6986","6987","10.1021/ja071148m","","","0.71073","MoKα","","0.0605","0.0504","","","0.0708","0.0714","","","","","","1.968","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4109818","10.3509","0.0015","10.3509","0.0015","36.281","0.007","90","","90","","90","","3887.2","1.1","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","[bis(3,6-di-tert-butyl-o-benzosemiquinonato)(pyridine)copper(II)] toluene solvate","","- C40 H52 Cu N O4 -","- C40 H45 Cu N O4 -","- C160 H180 Cu4 N4 O16 -","4","0.5","","Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov","Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II)","Journal of the American Chemical Society","2007","129","","10512","10521","10.1021/ja072463b","","","0.71073","MoKα","","0.0854","0.0749","","","0.1697","0.178","","","","","","1.059","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109898","20.5755","0.0008","20.5755","0.0008","13.6392","0.001","90","","90","","90","","5774.2","0.5","240","2","240","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C31.5 H30 N3 O3 -","- C31 H28 N3 O2.5 -","- C248 H224 N24 O20 -","8","1","","Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson","Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles","Journal of the American Chemical Society","2007","129","","10986","10987","10.1021/ja073049e","","","0.71073","MoKα","","0.0589","0.0451","","","0.1104","0.1176","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109954","14.752","0.003","14.752","0.003","32.249","0.008","90","","90","","90","","7018","3","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C80 H96 N6 Ni O12 -","- C80 H96 N6 Ni O12 -","- C320 H384 N24 Ni4 O48 -","4","0.5","","Zhenzhen Dong; Glenn P. A. Yap; Joseph M. Fox","trans-Cyclohexane-1,2-diamine Is a Weak Director of Absolute Helicity in Chiral Nickel-Salen Complexes","Journal of the American Chemical Society","2007","129","","11850","11853","10.1021/ja073900p","","","0.71073","MoKα","","0.0542","0.0475","","","0.1138","0.118","","","","","","1.057","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4110157","14.7772","0.0007","14.7772","0.0007","56.444","0.005","90","","90","","90","","12325.4","1.4","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C56 H90 N9 O13.5 -","- C56 H90 N9 O13.5 -","- C448 H720 N72 O108 -","8","1","","Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","Crystallographic Characterization of the α/β-Peptide 14/15-Helix","Journal of the American Chemical Society","2007","129","","13780","13781","10.1021/ja0753344","","","0.71073","Mo-Kα","","0.0712","0.0617","","","0.1576","0.1638","","","","","","1.214","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4112701","11.4952","0.0004","11.4952","0.0004","47.84","0.002","90","","90","","90","","6321.6","0.4","296.2","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C31 H32 Cl4 N2 O2 Zn -","- C31 H34 Cl4 N2 O2 Zn -","- C248 H272 Cl32 N16 O16 Zn8 -","8","1","","Tomoaki Hamada; Kei Manabe; Shū Kobayashi","Enantio- and Diastereoselective, Stereospecific Mannich-Type Reactions in Water","Journal of the American Chemical Society","2004","126","","7768","7769","10.1021/ja048607t","","","0.7107","MoKα","","","0.0739","","","","0.2325","","","","","","2.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112711","12.6459","0.0008","12.6459","0.0008","47.844","0.004","90","","90","","90","","7651.2","0.9","98","","98","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C38 H52 S2 Si2 Zr -","- C38 H52 S2 Si2 Zr -","- C304 H416 S16 Si16 Zr8 -","8","1","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0566","0.0434","","","0.0587","0.0598","","","","","","1.549","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4113173","10.4025","0.0012","10.4025","0.0012","55.489","0.009","90","","90","","90","","6004.6","1.4","98","2","98","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C30 H36 B F4 N3 Pt -","- C30 H36 B F4 N3 Pt -","- C240 H288 B8 F32 N24 Pt8 -","8","1","","Alan F. Heyduk; Tom G. Driver; Jay A. Labinger; John E. Bercaw","Kinetic and Thermodynamic Preferences in Aryl vs Benzylic C-H Bond Activation with Cationic Pt(II) Complexes","Journal of the American Chemical Society","2004","126","","15034","15035","10.1021/ja045078k","","","0.71073","MoKα","","0.0318","0.0296","","","0.0629","0.0635","","","","","","1.227","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113324","29.162","0.003","29.162","0.003","30.451","0.006","90","","90","","90","","25896","6","80","2","80","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C149 H96 N48 O76 Pd6 -","- C149 H115 N48 O76 Pd6 -","- C596 H460 N192 O304 Pd24 -","4","0.5","","Koji Nakabayashi; Masaki Kawano; Michito Yoshizawa; Shin-ichi Ohkoshi; Makoto Fujita","Cavity-Induced Spin-Spin Interaction between Organic Radicals within a Self-Assembled Coordination Cage","Journal of the American Chemical Society","2004","126","","16694","16695","10.1021/ja044445p","","","0.71073","MoKα","","0.2924","0.1504","","","0.3338","0.4164","","","","","","1.045","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113750","38.031","0.005","38.031","0.005","9.4952","0.0019","90","","90","","90","","13733","4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C58 H72 N4 Ni O15 -","- C58 H36 N4 Ni O14.5 -","- C464 H288 N32 Ni8 O116 -","8","1","","Yong Cui; Suk Joong Lee; Wenbin Lin","Interlocked Chiral Nanotubes Assembled from Quintuple Helices","Journal of the American Chemical Society","2003","125","","6014","6015","10.1021/ja029926s","","","0.71073","MoKα","","0.1726","0.1479","","","0.344","0.3616","","","","","","1.23","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113770","8.293","0.002","8.293","0.002","39.167","0.014","90","","90","","90","","2693.7","1.3","213","2","213","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C14 H15 I O2 -","- C14 H15 I O2 -","- C112 H120 I8 O16 -","8","1","","Do Hyun Ryu; E. J. Corey","Triflimide Activation of a Chiral Oxazaborolidine Leads to a More General Catalytic System for Enantioselective Diels-Alder Addition","Journal of the American Chemical Society","2003","125","","6388","6390","10.1021/ja035393r","","","0.71073","MoKα","","0.048","0.0458","","","0.1122","0.1134","","","","","","1.181","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113784","15.384","0.002","15.384","0.002","25.386","0.005","90","","90","","90","","6008","1.6","203","2","203","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C0.5 H34 K10 O16.5 Se17 Sn4 Zn4 -","- C0.5 K10 O16.5 Se17 Sn4 Zn4 -","- C2 K40 O66 Se68 Sn16 Zn16 -","4","0.5","","Stefanie Dehnen; Michael K. Brandmayer","Reactivity of Chalcogenostannate Compounds: Syntheses, Crystal Structures, and Electronic Properties of Novel Compounds Containing Discrete Ternary Anions [MII4(μ4-Se)(SnSe4)4]10- (MII = Zn, Mn)","Journal of the American Chemical Society","2003","125","","6618","6619","10.1021/ja029601b","","","0.56087","AgKα","","0.0664","0.054","","","0.1104","0.1157","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114192","16.72","0.004","16.72","0.004","29.616","0.006","90","","90","","90","","8279","3","140","2","140","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","(NaSnBert*)~2~^.^3benzene","","","- C90 H116 Na2 Sn2 -","- C90 H116 Na2 Sn2 -","- C360 H464 Na8 Sn8 -","4","0.5","","Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power","Germanium and Tin Analogues of Alkynes and Their Reduction Products","Journal of the American Chemical Society","2003","125","","11626","11636","10.1021/ja035711m","","","0.71073","MoKα","","0.121","0.0604","","","0.0928","0.1122","","","","","","1.005","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114461","25.115","0.004","25.115","0.004","43.709","0.01","90","","90","","90","","27570","9","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Boc-Leu-Aib-Val-D-Ala-Leu-Aib-Val-D-Ala-D-Leu-Aib-OMe","t-Butyloxycarbonyl-leucyl-(alpha-aminoisobutyryl)-valyl-D-alanyl-leucyl- (alpha-aminoisobutyryl)-valyl-D-alanyl-D-leucyl-(alpha-aminoisobutyryl) methyl ester trihydrate","","- C52 H97 N10 O14.5 -","- C52 H94 N10 O14.5 -","- C832 H1504 N160 O232 -","16","2","","Subrayashastry Aravinda; Narayanaswamy Shamala; Abhishek Bandyopadhyay; Padmanabhan Balaram","Probing the Role of the C-H...O Hydrogen Bond Stabilized Polypeptide Chain Reversal at the C-terminus of Designed Peptide Helices. Structural Characterization of Three Decapeptides","Journal of the American Chemical Society","2003","125","","15065","15075","10.1021/ja0372762","","","0.71073","MoKα","","0.3442","0.0699","","","0.1565","0.2334","","","","","","0.795","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116819","5.799","0.002","5.799","0.002","14.53","0.007","90","","90","","90","","488.6","0.3","123","2","123","2","","","","","","","Aldrich","3","P 43 21 2","P 4nw 2abw","96","fluorobenzene","fluorobenzene","","- C6 H5 F -","- C6 H5 F -","- C24 H20 F4 -","4","0.5","","Venkat R. Thalladi; Hans-Christoph Weiss; Dieter Bläser; Roland Boese; Ashwini Nangia; Gautam R. Desiraju","C-H...F Interactions in the Crystal Structures of Some Fluorobenzenes","Journal of the American Chemical Society","1998","120","","8702","8710","10.1021/ja981198e","","","0.71073","MoKα","","0.0464","0.0407","","0.11","0.1056","","","","1.06","1.084","1.084","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116920","7.7094","0.0002","7.7094","0.0002","20.3266","0.0007","90","","90","","90","","1208.11","0.06","198","","198","","","","","","","","?","5","P 43 21 2","P 4nw 2abw","96","","","","- C6 H4 N O2 Zn0.5 -","- C12 H8 N2 O4 Zn -","- C48 H32 N8 O16 Zn4 -","4","0.5","","Wenbin Lin; Owen R. Evans; Ren-Gen Xiong; Zhiyong Wang","Supramolecular Engineering of Chiral and Acentric 2D Networks. Synthesis, Structures, and Second-Order Nonlinear Optical Properties of Bis(nicotinato)zinc and Bis{3-[2-(4-pyridyl)ethenyl]benzoato}cadmium","Journal of the American Chemical Society","1998","120","","13272","13273","10.1021/ja983415h","","","0.71073","MoKα","","","0.0668","","","0.0714","","","","","1.0212","1.0212","","","","","has coordinates","189822","2020-10-21","18:00:00",""
"4116935","28.45","0.07","28.45","0.07","65.84","0.2","90","","90","","90","","53291","2","98","2","98","2","","","","","","","Eli Lilly, USA (Vancocin HCl)","5","P 43 21 2","P 4nw 2abw","96","Vancomycin hydrochloride","","","- C67 H79 Cl4 N9 O47.7 -","- C67 H79 Cl4 N9 O47.705 -","- C1072 H1264 Cl64 N144 O763.28 -","16","2","","Patrick J. Loll; Anthony E. Bevivino; Brian D. Korty; Paul H. Axelsen","Simultaneous Recognition of a Carboxylate-Containing Ligand and an Intramolecular Surrogate Ligand in the Crystal Structure of an Asymmetric Vancomycin Dimer","Journal of the American Chemical Society","1997","119","","1516","1522","10.1021/ja963566p","","","0.85","synchrotronX-ray","","0.1241","0.1124","","0.3164","0.2935","","","","1.056","1.057","1.057","","","","","has coordinates,has disorder,has Fobs","176467","2020-10-21","18:00:00",""
"4117063","8.5231","0.0013","8.5231","0.0013","32.956","0.007","90","","90","","90","","2394","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(Me5CpMoCl)2B4H7","","- C20 H37 B3 Cl2 Mo2 -","- C20 H37 B3 Cl2 Mo2 -","- C80 H148 B12 Cl8 Mo8 -","4","0.5","","Simon Aldridge; Maoyu Shang; Thomas P. Fehlner","Origins of Unsaturation in Group 6 Metallaboranes. Synthesis, Crystal Structure, and Molecular Orbital Calculations for (Cp*MoCl)2B3H7 (Cp* = Pentamethylcyclopentadienyl)","Journal of the American Chemical Society","1997","119","","11120","11121","10.1021/ja972685h","","","0.71073","MoKα","","0.0542","0.042","","0.1053","0.0944","","","","1.143","1.104","1.104","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117177","8.211","0.002","8.211","0.002","58.657","0.013","90","","90","","90","","3954.7","1.6","198","2","198","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C176 H232 N8 O32 -","8","1","","Robert M. Coates; Zhanqi Ho; Michael Klobus; Scott R. Wilson","Stereochemistry and Reactions of Presilphiperfolanol: A Branch Point Marker in Triquinane Sesquiterpene Biogenesis","Journal of the American Chemical Society","1996","118","","9249","9254","10.1021/ja961582g","","","0.71073","MoKα","","0.2111","0.1243","","0.4414","0.3297","","","","1.101","1.198","1.198","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117210","13.69","0.006","13.69","0.006","24.464","0.009","90","","90","","90","","4585","3","296","2","296","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C43 H32 F12 N8 O4 P2 Ru2 -","- C44 H32 F36 N8 O4 P2 Ru2 -","- C176 H128 F144 N32 O16 P8 Ru8 -","4","0.5","","Dorothy H. Gibson; Yan Ding; Bradley A. Sleadd; Jaime O. Franco; John F. Richardson; Mark S. Mashuta","Photoassistance in Reactions of the cis- (Bis(2,2'-bipyridyl))(carbonyl)(formyl)ruthenium(II) Cation with Protic Reagents","Journal of the American Chemical Society","1996","118","","11984","11985","10.1021/ja962168j","","","0.7107","MoKα","","","0.062","","","0.062","","","","","2.7","2.7","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117407","10.1042","0.0016","10.1042","0.0016","27.907","0.006","90","","90","","90","","2849.2","0.9","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- In Pr4 S9 Sb -","- In Pr4 S9 Sb -","- In8 Pr32 S72 Sb8 -","8","1","","Hua-Jun Zhao; Yong-Fan Zhang; Ling Chen","Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9","Journal of the American Chemical Society","2012","134","","1993","1995","10.1021/ja2109008","","","0.71073","MoKα","","0.0187","0.0178","","","0.0336","0.0349","","","","","","0.988","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117408","10.0721","0.0001","10.0721","0.0001","27.8292","0.001","90","","90","","90","","2823.19","0.11","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- In Nd4 S9 Sb -","- In Nd4 S9 Sb -","- In8 Nd32 S72 Sb8 -","8","1","","Hua-Jun Zhao; Yong-Fan Zhang; Ling Chen","Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9","Journal of the American Chemical Society","2012","134","","1993","1995","10.1021/ja2109008","","","0.71073","MoKα","","0.0419","0.0371","","","0.0631","0.0651","","","","","","1.119","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4118995","9.915","0.0006","9.915","0.0006","25.0921","0.0015","90","","90","","90","","2466.7","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C33 H26 B N -","- C33 H26 B N -","- C132 H104 B4 N4 -","4","0.5","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0511","0.0397","","","0.0913","0.0958","","","","","","1.139","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4120087","20.254","0.003","20.254","0.003","18.001","0.004","90","","90","","90","","7384","2","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C52 H80 B2 F8 N8 O2 -","- C52 H80 B2 F8 N8 O2 -","- C208 H320 B8 F32 N32 O8 -","4","0.5","","Shunxi Dong; Xiaohua Liu; Yin Zhu; Peng He; Lili Lin; Xiaoming Feng","Organocatalytic Oxyamination of Azlactones: Kinetic Resolution of Oxaziridines and Asymmetric Synthesis of Oxazolin-4-ones","Journal of the American Chemical Society","2013","135","","10026","10029","10.1021/ja404379n","","","0.71073","MoKα","","0.1459","0.1263","","","0.3066","0.3154","","","","","","1.804","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120099","7.4876","0.0007","7.4876","0.0007","72.129","0.01","90","","90","","90","","4043.9","0.8","100","2","100","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C50 H62 O4 -","- C50 H62 O4 -","- C200 H248 O16 -","4","0.5","","Braulio Rodríguez-Molina; Salvador Pérez-Estrada; Miguel A. Garcia-Garibay","Amphidynamic Crystals of a Steroidal Bicyclo[2.2.2]octane Rotor: A High Symmetry Group That Rotates Faster than Smaller Methyl and Methoxy Groups","Journal of the American Chemical Society","2013","135","","10388","10395","10.1021/ja4024463","","","0.71073","MoKα","","0.066","0.0569","","","0.1526","0.1582","","","","","","1.039","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120929","12.5133","0.0012","12.5133","0.0012","47.953","0.005","90","","90","","90","","7508.6","1.3","100","2","100.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C37 H53 Au F6 N3 Sb -","- C37 H53 Au F6 N3 Sb -","- C296 H424 Au8 F48 N24 Sb8 -","8","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0586","0.0427","","","0.0824","0.0879","","","","","","1.025","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4121309","14.3265","0.0006","14.3265","0.0006","28.3752","0.0015","90","","90","","90","","5824","0.5","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C22 H28 Co2 F12 O6 P2 -","- C22 H28 Co2 F12 O6 P2 -","- C176 H224 Co16 F96 O48 P16 -","8","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0277","0.0251","","","0.0674","0.0697","","","","","","0.853","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121368","7.9259","0.0011","7.9259","0.0011","60.915","0.018","90","","90","","90","","3826.7","1.4","123","2","123","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C176 H184 N8 O16 S8 -","8","1","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71073","MoKα","","0.1136","0.1119","","","0.234","0.2349","","","","","","1.334","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4122210","11.647","0.003","11.647","0.003","26.381","0.008","90","","90","","90","","3578.7","1.7","213","2","213","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H32 Cl2 Ni P2 -","- C44 H32 Cl2 Ni P2 -","- C176 H128 Cl8 Ni4 P8 -","4","0.5","","Evans, David A.; Thomson, Regan J.; Franco, Francisco","Ni(II) Tol-BINAP-Catalyzed Enantioselective Michael Reactions of β-Ketoesters and Unsaturated N-Acylthiazolidinethiones","Journal of the American Chemical Society","2005","127","31","10816","10817","10.1021/ja053820q","","","0.71073","MoKα","","0.0502","0.0343","","","0.0686","0.0732","","","","","","1.014","","","","has coordinates","219219","2020-10-21","18:00:00",""
"4122417","4.871","0.0008","4.871","0.0008","32.266","0.006","90","","90","","90","","765.6","0.2","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","1-nitrourea","","- C H3 N3 O3 -","- C H3 N3 O3 -","- C8 H24 N24 O24 -","8","1","","Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.","Journal of the American Chemical Society","2014","136","34","11934","","10.1021/ja5074036","","","0.71073","MoKα","","0.0261","0.0239","","","0.0656","0.0672","","","","","","1.139","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4123667","7.8391","0.0003","7.8391","0.0003","30.7247","0.0012","90","","90","","90","","1888.08","0.13","100","2","100","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","AM02","sarpong71","","- C10 H16 O2 -","- C10 H16 O2 -","- C80 H128 O16 -","8","1","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0337","0.0331","","","0.0901","0.0906","","","","","","1.071","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126001","29.157","0.003","29.157","0.003","69.955","0.009","90","","90","","90","","59471","12","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","ZIF-516","","","- C195 H77 Br13 N52 Zn13 -","- C195 H74 Br13 N52 Zn13 -","- C1560 H592 Br104 N416 Zn104 -","8","1","","Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M.","Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2017","139","18","6448","6455","10.1021/jacs.7b02272","","","0.7749","synchrotron","","0.1191","0.0972","","","0.2523","0.273","","","","","","1.047","","","","has coordinates","197442","2020-10-21","18:00:00",""
"4126466","9.7978","0.0003","9.7978","0.0003","30.836","0.0009","90","","90","","90","","2960.16","0.15","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C11 H23 N O4 S -","- C11 H23 N O4 S -","- C88 H184 N8 O32 S8 -","8","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0304","0.0279","","","0.0702","0.0718","","","","","","1.069","","","","has coordinates","201264","2020-10-21","18:00:00",""
"4126830","16.1611","0.0005","16.1611","0.0005","16.575","0.0006","90","","90","","90","","4329.1","0.2","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C42 H69 B2 Cl2 Fe N7 -","- C42 H69 B2 Cl2 Fe N7 -","- C168 H276 B8 Cl8 Fe4 N28 -","4","0.5","","Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11465","","","0.71073","MoKα","","0.0817","0.0516","","","0.1151","0.1365","","","","","","1.083","","","","has coordinates,has disorder","204188","2020-10-21","18:00:00",""
"4129190","13.4873","0.0001","13.4873","0.0001","42.0533","0.0003","90","","90","","90","","7649.8","0.1","100","2","100","2","","","","","","","","9","P 43 21 2","P 4nw 2abw","96","","","","- C38 H36 Cl2 F6 N5 O2 P Ru S -","- C38 H36 Cl2 F6 N5 O2 P Ru S -","- C304 H288 Cl16 F48 N40 O16 P8 Ru8 S8 -","8","1","","Zhou, Zijun; Chen, Shuming; Hong, Yubiao; Winterling, Erik; Tan, Yuqi; Hemming, Marcel; Harms, Klaus; Houk, K. N.; Meggers, Eric","Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)‒H Amidation","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09301","","","1.54186","CuKα","","0.0308","0.028","","","0.0706","0.0717","","","","","","1.054","","","","has coordinates","231152","2020-10-21","18:00:00",""
"4130824","13.3576","0.0015","13.3576","0.0015","16.362","0.002","90","","90","","90","","2919.4","0.6","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H10 F7 N O2 -","- C12.9999 H10 F6.9997 N O2 -","- C103.999 H80 F55.9976 N8 O16 -","8","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","1.54178","CuKα","","0.0333","0.0326","","","0.0882","0.0889","","","","","","1.022","","","","has coordinates,has disorder","241184","2020-10-21","18:00:00",""
"4131338","12.7229","0.0008","12.7229","0.0008","14.6505","0.0013","90","","90","","90","","2371.5","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C28 H24 B2 O4 -","- C28 H24 B2 O4 -","- C112 H96 B8 O16 -","4","0.5","","Chen, Dongping; Xu, Guangqing; Zhou, Qinghai; Chung, Lung Wa; Tang, Wenjun","Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons.","Journal of the American Chemical Society","2017","139","29","9767","9770","10.1021/jacs.7b04256","","","0.71073","MoKα","","0.0645","0.0522","","","0.112","0.1176","","","","","","1.1","","","","has coordinates","241561","2020-10-21","18:00:00",""
"4131353","10.722","0.0004","10.722","0.0004","60.769","0.002","90","","90","","90","","6986.1","0.4","100","2","100","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","SL1800","","","- C20 H30 O3 -","- C20 H30 O3 -","- C320 H480 O48 -","16","2","","Liu, Shu-An; Trauner, Dirk","Asymmetric Synthesis of the Antiviral Diterpene Wickerol A.","Journal of the American Chemical Society","2017","139","28","9491","9494","10.1021/jacs.7b05046","","","0.71073","MoKα","","0.0663","0.0606","","","0.142","0.1443","","","","","","1.198","","","","has coordinates,has disorder","241576","2020-10-21","18:00:00",""
"4131581","10.12744","0.00005","10.12744","0.00005","28.887","0.0003","90","","90","","90","","2962.8","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C14 H17 Cl F3 N O -","- C14 H17 Cl F3 N O -","- C112 H136 Cl8 F24 N8 O8 -","8","1","","Pedroni, Julia; Cramer, Nicolai","Enantioselective C-H Functionalization-Addition Sequence Delivers Densely Substituted 3-Azabicyclo[3.1.0]hexanes.","Journal of the American Chemical Society","2017","139","36","12398","12401","10.1021/jacs.7b07024","","x-ray","1.54184","CuKα","","0.0203","0.0199","","","0.0533","0.0536","","","","","","1.096","","","","has coordinates","241758","2020-10-21","18:00:00",""
"4132743","26.5441","0.0018","26.5441","0.0018","22.7499","0.0017","90","","90","","90","","16029.3","1.9","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C62 H68 I O5 P -","- C62 H68 I O5 P -","- C496 H544 I8 O40 P8 -","8","1","","Ye, Baihua; Zhao, Jie; Zhao, Ke; McKenna, Jeffrey M.; Toste, F. Dean","Chiral Diaryliodonium Phosphate Enables Light Driven Diastereoselective α-C(sp<sup>3</sup>)-H Acetalization.","Journal of the American Chemical Society","2018","140","26","8350","8356","10.1021/jacs.8b05962","","x-ray","0.71073","MoKα","","0.1048","0.0935","","","0.2621","0.277","","","","","","1.127","","","","has coordinates","242656","2020-10-21","18:00:00",""
"4133214","15.5144","0.0005","15.5144","0.0005","53.2848","0.0017","90","","90","","90","","12825.5","0.7","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","binh-02-60","","","- C53 H47 Br Cl3 N3 O2 -","- C53 H47 Br Cl3 N3 O2 -","- C424 H376 Br8 Cl24 N24 O16 -","8","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","0.71073","MoKα","","0.097","0.0618","","","0.1591","0.1849","","","","","","1.025","","","","has coordinates","243051","2020-10-21","18:00:00",""
"4133955","31.089","0.002","31.089","0.002","61.485","0.006","90","","90","","90","","59427","8","100","2","100.1","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C186 H283 K6 O142 -","- C186 H283 K6 O142 -","- C1488 H2264 K48 O1136 -","8","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","1.54178","CuKα","","0.0936","0.0732","","","0.1932","0.2073","","","","","","1.004","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4133956","31.212","0.0012","31.212","0.0012","61.302","0.003","90","","90","","90","","59720","4","100","2","100.01","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C193 H311 K6 O154 -","- C193 H311 K6 O154 -","- C1544 H2488 K48 O1232 -","8","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","0.71073","MoKα","","0.1452","0.0736","","","0.1782","0.2147","","","","","","0.974","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4134127","40.109","0.004","40.109","0.004","10.8259","0.0013","90","","90","","90","","17416","3","100","2","100","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C136 H118 F42 N16 O6 P7 -","- C136 H118 F42 N16 O6 P7 -","- C544 H472 F168 N64 O24 P28 -","4","0.5","","Liu, Wenqi; Bobbala, Sharan; Stern, Charlotte L.; Hornick, Jessica; Liu, Yugang; Enciso, Alan Enrique; Scott, Evan A.; Stoddart, J. Fraser","XCage: A Tricyclic Octacationic Receptor for Perylene Diimide with Picomolar Affinity in Water.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12982","","","1.54178","CuKα","","0.1341","0.1051","","","0.2703","0.2963","","","","","","1.142","","","","has coordinates,has disorder","247853","2020-10-21","18:00:00",""
"4134186","10.8561","0.0001","10.8561","0.0001","41.1767","0.0006","90","","90","","90","","4852.88","0.09","179.99","0.1","179.99","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C25 H36 O6 Si -","- C25 H36 O6 Si -","- C200 H288 O48 Si8 -","8","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0359","0.0334","","","0.0873","0.0888","","","","","","1.017","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134427","16.2888","0.0011","16.2888","0.0011","20.502","0.0015","90","","90","","90","","5439.7","0.7","130","","130","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C15 H26 O -","- C15 H26 O -","- C240 H416 O16 -","16","2","","Syntrivanis, Leonidas-Dimitrios; Némethová, Ivana; Schmid, Dario; Levi, Shani; Prescimone, Alessandro; Bissegger, Fabian; Major, Dan T.; Tiefenbacher, Konrad","Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis.","Journal of the American Chemical Society","2020","142","12","5894","5900","10.1021/jacs.0c01464","","x-ray","1.54178","CuKα","","0.0553","0.0538","","","0.1403","0.1419","","","","","","1.064","","","","has coordinates,has disorder","250082","2020-10-21","18:00:00",""
"4304003","16.524","0.003","16.524","0.003","29.684","0.005","90","","90","","90","","8105","2","173","2","173","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","complex 2 (CRFTGT-1 vv)","","","- C48 H48 Cl4 Cu4 F24 N24 O2 P4 -","- C48 H48 Cl4 Cu4 F24 N24 O2 P4 -","- C192 H192 Cl16 Cu16 F96 N96 O8 P16 -","4","0.5","","Blanca R. Manzano; Félix A. Jalón; Isabel M. Ortiz; M. Laura Soriano; Felipe Gómez de la Torre; José Elguero; Miguel A. Maestro; Kurt Mereiter; Tim D. W. Claridge","Self-assembly of Ligands Designed for the Building of a New Type of [2 x 2] Metallic Grid. Anion Encapsulation and Diffusion NMR Spectroscopy","Inorganic Chemistry","2008","47","","413","428","10.1021/ic701117a","","","0.71073","MoKα","","0.1214","0.0838","","","0.2002","0.2287","","","","","","1.105","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304287","20.54","0.003","20.54","0.003","15.866","0.006","90","","90","","90","","6694","3","290","","290","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C21 H32 Cu3 K N3 O12 -","- C21 H32 Cu3 K N3 O12 -","- C168 H256 Cu24 K8 N24 O96 -","8","1","","Boris Le Guennic; Sarah Petit; Guillaume Chastanet; Guillaume Pilet; Nadia Ben Amor; Vincent Robert","Antiferromagnetic Behavior Based on Quasi-Orthogonal MOs: Synthesis and Characterization of a Cu3 Oxidase Model","Inorganic Chemistry","2008","47","","572","577","10.1021/ic701758x","","","0.71073","MoKα","","0.0587","0.0367","","0.0606","0.0416","0.0416","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305888","15.54","0.002","15.54","0.002","25.831","0.005","90","","90","","90","","6238","1.7","200","2","200","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C1.5 H40 K10 O18.5 Se13 Sn4 Te4 Zn4 -","- C1.5 K10 O18.52 Se13 Sn4 Te4 Zn4 -","- C6 K40 O74.08 Se52 Sn16 Te16 Zn16 -","4","0.5","","Felicitas Lips; Stefanie Dehnen","One-Size Adjustable-Gap Cluster Anions: Systematic Approach to Multinary, Water-Soluble Chalcogenidometalate Compounds","Inorganic Chemistry","2008","47","","5561","5563","10.1021/ic8008199","","","0.71073","MoKα","","0.0551","0.0523","","","0.1322","0.1338","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305889","15.713","0.002","15.713","0.002","26.025","0.005","90","","90","","90","","6425.5","1.7","200","2","200","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C2 H45 K10 Mn4 O20.5 Se10.6 Sn4 Te6.4 -","- C2 K9.4 Mn4 O20.5 Se10.6 Sn4 Te6.4 -","- C8 K37.6 Mn16 O82 Se42.4 Sn16 Te25.6 -","4","0.5","","Felicitas Lips; Stefanie Dehnen","One-Size Adjustable-Gap Cluster Anions: Systematic Approach to Multinary, Water-Soluble Chalcogenidometalate Compounds","Inorganic Chemistry","2008","47","","5561","5563","10.1021/ic8008199","","","0.71073","MoKα","","0.0924","0.0565","","","0.0955","0.1054","","","","","","0.928","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305890","15.7392","0.0006","15.7392","0.0006","26.105","0.002","90","","90","","90","","6466.8","0.6","200","2","200","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C0.5 H32 K10 Mn4 O15.5 Se11.5 Sn4 Te5.5 -","- C0.5 K10.01 Mn4 O15.5 Se11.6 Sn4 Te5.4 -","- C2 K40.04 Mn16 O62 Se46.4 Sn16 Te21.6 -","4","0.5","","Felicitas Lips; Stefanie Dehnen","One-Size Adjustable-Gap Cluster Anions: Systematic Approach to Multinary, Water-Soluble Chalcogenidometalate Compounds","Inorganic Chemistry","2008","47","","5561","5563","10.1021/ic8008199","","","0.71073","MoKα","","0.063","0.0372","","","0.0772","0.0825","","","","","","0.85","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305891","15.701","0.002","15.701","0.002","26.032","0.005","90","","90","","90","","6417.4","1.7","200","2","200","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C H34 K10 Mn4 O16 Se13 Sn4 Te4 -","- C K10 Mn4 O16 Se13 Sn4 Te4 -","- C4 K40 Mn16 O64 Se52 Sn16 Te16 -","4","0.5","","Felicitas Lips; Stefanie Dehnen","One-Size Adjustable-Gap Cluster Anions: Systematic Approach to Multinary, Water-Soluble Chalcogenidometalate Compounds","Inorganic Chemistry","2008","47","","5561","5563","10.1021/ic8008199","","","0.71073","MoKα","","0.0429","0.0376","","","0.1038","0.1061","","","","","","1.045","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305947","9.6432","0.0004","9.6432","0.0004","32.2446","0.0018","90","","90","","90","","2998.5","0.2","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C16 H8 O8 Zn2 -","- C16 H8 O8 Zn2 -","- C128 H64 O64 Zn16 -","8","1","","Lei Zhang; Ye-Yan Qin; Zhao-Ji Li; Qi-Pu Lin; Jian-Kai Cheng; Jian Zhang; Yuan-Gen Yao","Topology Analysis and Nonlinear-Optical-Active Properties of Luminescent Metal-Organic Framework Materials Based on Zinc/Lead Isophthalates","Inorganic Chemistry","2008","47","","8286","8293","10.1021/ic800871r","","","0.71073","MoKα","","0.065","0.0624","","","0.1678","0.1697","","","","","","1.082","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4306430","11.4911","0.0012","11.4911","0.0012","21.426","0.004","90","","90","","90","","2829.2","0.7","161","2","161","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","[Ti(OPri)3Cl]2","","","- C18 H42 Cl2 O6 Ti2 -","- C18 H42 Cl2 O6 Ti2 -","- C72 H168 Cl8 O24 Ti8 -","4","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez; Robin M. Sewell; Todd M. Alam; Sarah K. McIntyre","Stepwise Modification of Titanium Alkoxy Chloride Compounds by Pyridine Carbinol","Inorganic Chemistry","2008","47","","10708","10717","10.1021/ic801249b","","","0.71073","MoKα","","0.0452","0.0402","","","0.1023","0.1073","","","","","","1.089","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4307007","11.977","0.0017","11.977","0.0017","33.623","0.007","90","","90","","90","","4823.2","1.4","253","2","253","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C44 H44 Cl2 N8 O12 Ru Se -","- C44 H38 Cl2 N8 O12 Ru Se -","- C176 H152 Cl8 N32 O48 Ru4 Se4 -","4","0.5","","Mei-Jin Li; Ben Wai-Kin Chu; Nianyong Zhu; Vivian Wing-Wah Yam","Synthesis, Structure, Photophysics, Electrochemistry, and Ion-Binding Studies of Ruthenium(II) 1,10-Phenanthroline Complexes Containing Thia-, Selena-, and Aza-Crown Pendants","Inorganic Chemistry","2007","46","","720","733","10.1021/ic061507z","","","0.71073","MoKα","","0.1158","0.0645","","","0.1669","0.1824","","","","","","0.892","","","","has coordinates","179108","2020-10-21","18:00:00",""
"4309144","15.106","0.0004","15.106","0.0004","13.11","0.0005","90","","90","","90","","2991.59","0.16","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C28 H38 Cl4 N2 O4 Ti -","- C28 H38 Cl4 N2 O4 Ti -","- C112 H152 Cl16 N8 O16 Ti4 -","4","0.5","","Adi Yeori; Stanislav Groysman; Israel Goldberg; Moshe Kol","Diastereoisomerically Selective Enantiomerically Pure Titanium Complexes of Salan Ligands: Synthesis, Structure, and Preliminary Activity Studies","Inorganic Chemistry","2005","44","","4466","4468","10.1021/ic050745b","","","0.71073","MoKα","","0.0859","0.0756","","","0.1393","0.1421","","","","","","1.187","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309145","14.947","0.0005","14.947","0.0005","13.199","0.0003","90","","90","","90","","2948.83","0.15","106","2","106","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C26 H34 Cl4 N2 O4 Ti -","- C26 H34 Cl4 N2 O4 Ti -","- C104 H136 Cl16 N8 O16 Ti4 -","4","0.5","","Adi Yeori; Stanislav Groysman; Israel Goldberg; Moshe Kol","Diastereoisomerically Selective Enantiomerically Pure Titanium Complexes of Salan Ligands: Synthesis, Structure, and Preliminary Activity Studies","Inorganic Chemistry","2005","44","","4466","4468","10.1021/ic050745b","","","0.71073","MoKα","","0.0717","0.0408","","","0.0893","0.114","","","","","","1.01","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309604","7.612","0.0001","7.612","","49.4945","0.0009","90","","90","","90","","2867.84","0.06","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C10 H6 Ag Cu N4 O8 Re -","- C10 H6 Ag Cu N4 O8 Re -","- C80 H48 Ag8 Cu8 N32 O64 Re8 -","8","1","","Bangbo Yan; Michael D. Capracotta; Paul A. Maggard","Structural Origin of Chirality and Properties of a Remarkable Helically Pillared Solid","Inorganic Chemistry","2005","44","","6509","6511","10.1021/ic050794o","","","0.71073","MoKα","","0.0471","0.0329","","","0.0791","0.0827","","","","","","1.074","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4310198","14.757","0.002","14.757","0.002","10.72","0.002","90","","90","","90","","2334.5","0.6","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C15 H18 Mn3 O6 S6 -","- C15 H18 Mn3 O6 S6 -","- C60 H72 Mn12 O24 S24 -","4","0.5","","Noorjahan Begum; Md. Iqbal Hyder; Shariff E. Kabir; G. M. Golzar Hossain; Ebbe Nordlander; Dalia Rokhsana; Edward Rosenberg","Dithiolate Complexes of Manganese and Rhenium: X-ray Structure and Properties of an Unusual Mixed Valence Cluster Mn3(CO)6(μ-η2-SCH2CH2CH2S)3","Inorganic Chemistry","2005","44","","9887","9894","10.1021/ic050987b","","","0.71073","MoKα","","0.031","0.0302","","","0.0738","0.0743","","","","","","1.062","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310425","8.095","0.001","8.095","0.001","46.283","0.006","90","","90","","90","","3032.9","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Cobalt complex of dinitrobenzoic acid and 4,4'-bipyridine","","","- C26 H20 Co N6 O14 -","- C26 H20 Co N6 O14 -","- C104 H80 Co4 N24 O56 -","4","0.5","","V. R. Pedireddi; Sunil Varughese","Solvent-Dependent Coordination Polymers: Cobalt Complexes of 3,5-Dinitrobenzoic Acid and 3,5-Dinitro-4-methylbenzoic Acid with 4,4'-Bipyrdine","Inorganic Chemistry","2004","43","","450","457","10.1021/ic0349499","","","0.71073","MoKα","","0.059","0.05","","0.121","0.114","","","","1.229","1.221","1.221","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312368","9.6306","0.0006","9.6306","0.0006","11.8125","0.001","90","","90","","90","","1095.59","0.13","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C6 H12 O8 U -","- C6 H12 O8 U -","- C24 H48 O32 U4 -","4","0.5","","Lauren A. Borkowski; Christopher L. Cahill","Topological Evolution in Uranyl Dicarboxylates: Synthesis and Structures of One-Dimensional UO2(C6H8O4)(H2O)2 and Three-Dimensional UO2(C6H8O4)","Inorganic Chemistry","2003","42","","7041","7045","10.1021/ic030196e","","","0.71073","MoKα","","0.0231","0.0194","","","0.043","0.0436","","","","","","1.071","","","","has coordinates","179162","2020-10-21","18:00:00",""
"4313376","10.503","0.002","10.503","0.002","26.038","0.005","90","","90","","90","","2872.3","1","150.2","","150.2","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C18 H30 B2 Cd N8 O S5 -","- C18 H30 B2 Cd N8 O S5 -","- C72 H120 B8 Cd4 N32 O4 S20 -","4","0.5","","Hamsell M. Alvarez; Thuy B. Tran; Mary A. Richter; Dania M. Alyounes; Daniel Rabinovich; Joseph M. Tanski; Mariusz Krawiec","Homoleptic Group 12 Metal Bis(mercaptoimidazolyl)borate Complexes M(BmR)2(M = Zn, Cd, Hg)","Inorganic Chemistry","2003","42","","2149","2156","10.1021/ic025780m","","","0.7107","MoKα","","0.0479","0.04","","0.043","","0.042","","","11.235","","","11.31","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313918","16.7143","0.0007","16.7143","0.0007","30.61","0.002","90","","90","","90","","8551.4","0.8","123.1","","","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C66 H36 F36 Mn4 N12 Ni2 O18 -","- C66 H36 F36 Mn4 N12 Ni2 O18 -","- C264 H144 F144 Mn16 N48 Ni8 O72 -","4","0.5","","Hitoshi Miyasaka; Tomohiro Nezu; Fumiyasu Iwahori; Sachie Furukawa; Kunihisa Sugimoto; Rodolphe Clérac; Ken-ichi Sugiura; Masahiro Yamashita","Heterometallic Hexanuclear Cluster with an S= 8 Spin Ground State: MnII{MnII(hfac)2}3{NiII(pao)3}2 (hfac-= Hexafluoroacetylacetonate, pao-= Pyridine-2-aldoximate)","Inorganic Chemistry","2003","42","","4501","4503","10.1021/ic034302o","","","0.7107","MoKα","","","0.052","","","","0.117","","","","","","0.455","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314702","16.3377","0.0003","16.3377","0.0003","11.2811","0.0004","90","","90","","90","","3011.16","0.13","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C9 H3 Li O6 Zn -","- C9 H3 Li O6 Zn -","- C72 H24 Li8 O48 Zn8 -","8","1","","Lin-Hua Xie; Jian-Bin Lin; Xiao-Min Liu; Yu Wang; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Porous Coordination Polymer with Flexibility Imparted by Coordinatively Changeable Lithium Ions on the Pore Surface","Inorganic Chemistry","2010","49","","1158","1165","10.1021/ic902077j","","","0.71073","MoKα","","0.0255","0.0238","","","0.0584","0.0594","","","","","","1.074","","","","has coordinates","179227","2020-10-21","18:00:00",""
"4315414","21.483","0.002","21.483","0.002","33.421","0.007","90","","90","","90","","15424","4","100","0.1","100","0.1","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","5","","","- C71.5 H87 Cl F12 Ir O5 P2 Sb2 -","- C56.5 H52 Cl F12 Ir O5 P2 Sb2 -","- C452 H416 Cl8 F96 Ir8 O40 P16 Sb16 -","8","1","","Abdurrahman C. Atesin; Jing Zhang; Tulaza Vaidya; William W. Brennessel; Alison J. Frontier; Richard Eisenberg","Synthesis, Characterization, and Catalytic Properties of New Electrophilic Iridium(III) Complexes Containing the (R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl Ligand","Inorganic Chemistry","2010","49","","4331","4342","10.1021/ic100300y","","","0.71073","MoKα","","0.0718","0.0561","","","0.1446","0.1516","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4315808","9.0688","0.0006","9.0688","0.0006","24.056","0.002","90","","90","","90","","1978.4","0.2","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C14 H24 Cl F6 N4 P Zn -","- C14 H24 Cl F6 N4 P Zn -","- C56 H96 Cl4 F24 N16 P4 Zn4 -","4","0.5","","Corinna R. Hess; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt","Influence of the Redox Active Ligand on the Reactivity and Electronic Structure of a Series of Fe(TIM) Complexes","Inorganic Chemistry","2010","49","","5686","5700","10.1021/ic100586h","","","0.71073","MoKα","","0.0197","0.0193","","","0.0537","0.054","","","","","","1.127","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4316429","9.618","0.0018","9.618","0.0018","29.49","0.008","90","","90","","90","","2728","1","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","adeninenitrile silver nitrate","","","- C16 H16 Ag3 N15 O12 -","- C16 H16 Ag3 N15 O12 -","- C64 H64 Ag12 N60 O48 -","4","0.5","","Ashutosh Kumar Mishra; Sandeep Verma","Interconnected Trimeric, Pentameric, and Hexameric Metallacycles in a Singular Silver-Adenine Framework","Inorganic Chemistry","2010","49","","8012","8016","10.1021/ic1010902","","","0.71073","MoKα","","0.0525","0.0432","","","0.1118","0.1304","","","","","","1.16","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4316874","7.7105","0.0009","7.7105","0.0009","41.386","0.005","90","","90","","90","","2460.5","0.5","135","2","135","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H18 Fe0.5 P S -","- C12 H18 Fe0.5 P S -","- C96 H144 Fe4 P8 S8 -","8","1","","Chelsea L. Mandell; Shannon S. Kleinbach; William G. Dougherty; W. Scott Kassel; Chip Nataro","Electrochemistry of 1,1'-Bis(2,4-dialkylphosphetanyl)ferrocene and 1,1'-Bis(2,5-dialkylphospholanyl)ferrocene Ligands: Free Phosphines, Metal Complexes, and Chalcogenides","Inorganic Chemistry","2010","49","","9718","9727","10.1021/ic1016164","","","0.71073","MoKα","","0.0329","0.0298","","","0.0741","0.0755","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316877","7.819","0.0003","7.819","0.0003","41.6262","0.0018","90","","90","","90","","2544.89","0.18","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H18 Fe0.5 P Se -","- C12 H18 Fe0.5 P Se -","- C96 H144 Fe4 P8 Se8 -","8","1","","Chelsea L. Mandell; Shannon S. Kleinbach; William G. Dougherty; W. Scott Kassel; Chip Nataro","Electrochemistry of 1,1'-Bis(2,4-dialkylphosphetanyl)ferrocene and 1,1'-Bis(2,5-dialkylphospholanyl)ferrocene Ligands: Free Phosphines, Metal Complexes, and Chalcogenides","Inorganic Chemistry","2010","49","","9718","9727","10.1021/ic1016164","","","0.71073","MoKα","","0.0442","0.0323","","","0.0636","0.0667","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317913","9.259","0.001","9.259","0.001","39.194","0.005","90","","90","","90","","3360.1","0.7","297","","297","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C32 H38 N4 O3 S4 V -","- C32 H38 N4 O2.5 S4 V0.5 -","- C128 H152 N16 O10 S16 V2 -","4","0.5","","Sudeep Bhattacharyya; Suman Mukhopadhyay; Satyabrata Samanta; Timothy J. R. Weakley; Muktimoy Chaudhury","Synthesis, Characterization, and Reactivity of Mononuclear O,N-Chelated Vanadium(IV) and -(III) Complexes of Methyl 2-Aminocyclopent-1-ene-1-dithiocarboxylate Based Ligand: Reporting an Example of Conformational Isomerism in the Solid State","Inorganic Chemistry","2002","41","","2433","2440","10.1021/ic0108639","","","0.71073","MoKα","","0.061","0.068","","0.106","","0.052","","","1.53","","","1.56","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317939","9.54","0.003","9.54","0.003","29.551","0.005","90","","90","","90","","2689.5","1.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- K24 Na8 O120 S28 V8 -","- K24 Na8 O120 S28 V8 -","- K24 Na8 O120 S28 V8 -","1","0.125","","D. A. Karydis; S. Boghosian; K. Nielsen; K. M. Eriksen; R. Fehrmann","Crystal Structure and Spectroscopic Properties of Na2K6(VO)2(SO4)7","Inorganic Chemistry","2002","41","","2417","2421","10.1021/ic011156i","","","0.71073","MoKα","","0.1472","0.0463","","0.1068","0.086","","","","1.038","1.117","1.117","","","","","has coordinates","179259","2020-10-21","18:00:00",""
"4318802","10.5191","0.0006","10.5191","0.0006","28.825","0.003","90","","90","","90","","3189.5","0.4","173","2","173","2","","","","","","","Way-Zen Lee","4","P 43 21 2","P 4nw 2abw","96","02127","LCuPy","","- C34 H46 Cu N3 -","- C34 H46 Cu N3 -","- C136 H184 Cu4 N12 -","4","0.5","","Way-Zen Lee; William B. Tolman","Toward Synthetic Analogues of Linked Redox and Catalytic Multimetal Sites in Proteins: A Model of the Histidine-Cysteine Bridged Dicopper Array","Inorganic Chemistry","2002","41","","5656","5658","10.1021/ic025937a","","","0.71073","MoKα","","0.0469","0.0385","","","0.1061","0.1097","","","","","","1.067","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4319438","12.6584","0.0005","12.6584","0.0005","28.6483","0.0014","90","","90","","90","","4590.5","0.3","295","2","295","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C32 H54 Br Cu2 F18 N8 P3 -","- C32 H54 Br Cu2 F18 N8 P3 -","- C128 H216 Br4 Cu8 F72 N32 P12 -","4","0.5","","Manawadevi Y. Udugala-Ganehenege; Mary Jane Heeg; Lew M. Hryhorczuk; Lowell E. Wenger; John F. Endicott","Electron/Atom Transfer in Halo-Bridged Homobimetallic Complexes. Structure and Donor-Acceptor Properties of Face-to-Face Dicopper Complexes with Teraazamacrocyclic Ligands","Inorganic Chemistry","2001","40","","1614","1625","10.1021/ic000726w","","","0.71073","MoKα","","0.1303","0.0711","","0.1713","0.1469","","","","1.025","1.14","1.14","","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4320036","8.229","0.002","8.229","0.002","16.915","0.007","90","","90","","90","","1145.4","0.6","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C10 H8 Mn N8 -","- C10 H8 Mn N8 -","- C40 H32 Mn4 N32 -","4","0.5","","Susana Martín; M. Gotzone Barandika; Luis Lezama; J. Luis Pizarro; Zurine E. Serna; J. Ignacio Ruiz de Larramendi; M. Isabel Arriortua; Teófilo Rojo; Roberto Cortés","Weak M(II)-Azide-4,4'-Bipy Ferromagnets Based on Unusual Diamondoid (M = Mn) and 2D Arrays (M = Co, Ni)","Inorganic Chemistry","2001","40","","4109","4115","10.1021/ic001067q","","","0.7107","MoKα","","0.0635","0.0499","","","0.0873","0.0938","","","","","","1.178","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4320371","16.8083","0.0016","16.8083","0.0016","19.121","0.003","90","","90","","90","","5402","1.1","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H8 Co4 N2 O13 -","- C19 H8 Co4 N2 O13 -","- C152 H64 Co32 N16 O104 -","8","1","","Fung-E Hong; Yu-Tain Tsai; Chang; Bao-Tsan Ko","Linking Two Alkyne-Bridged Dicobalt Complexes via a Urea-Based Ligand: Synthesis and Spectroscopic and Structural Characterization of {[Co2(CO)6(μ-HC\τbC-)]-CH2NH}2CO","Inorganic Chemistry","2001","40","","5487","5488","10.1021/ic010071e","","","0.71073","MoKα","","0.1135","0.048","","","0.0971","0.1176","","","","","","1.015","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4321002","15.0903","0.0004","15.0903","0.0004","26.1521","0.0007","90","","90","","90","","5955.3","0.3","203","2","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C59 H53 Cl4 N P4 Re2 -","- C59 H53 Cl4 N P4 Re2 -","- C236 H212 Cl16 N4 P16 Re8 -","4","0.5","","Yan Ding; Shan-Ming Kuang; Michael J. Siwajek; Phillip E. Fanwick; Richard A. Walton","Reactions of the Dirhenium(II) Complexes Re2X4(μ-dppm)2 (X = Cl, Br; dppm = Ph2PCH2PPh2) with Isocyanides. 21.1A Comparison with the Complexes Re2Cl4(μ-dppE)2 and Re2Cl4(μ-dcpm)2 (dppE = Ph2PC(CH2)PPh2; dcpm = Cy2PCH2PCy2) and the Structural Characterization of Complexes of the Types Re2Cl4(μ-LL)2(CNR), Re2Cl4(μ-LL)2(CNR)2, and [Re2Cl3(μ-LL)2(CNR)3]+ (LL = dppm, dppE, dcpm; R =t-Bu, Xyl)","Inorganic Chemistry","2000","39","","2676","2683","10.1021/ic000064a","","","0.71073","MoKα","","","0.0709","","","","0.202","","","","","","1.161","","","","has coordinates","179313","2020-10-21","18:00:00",""
"4321027","9.915","0.001","9.915","0.001","14.715","0.002","90","","90","","90","","1446.6","0.3","298","","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H12 Cu N6 O3 -","- C13 H9 Cu N6 O3 -","- C52 H36 Cu4 N24 O12 -","4","0.5","","Vassilis Tangoulis; Catherine P. Raptopoulou; Vassilis Psycharis; Aris Terzis; Konstantina Skorda; Spyros P. Perlepes; Olivier Cador; Olivier Kahn; Evangelos G. Bakalbassis","Ferromagnetism in an Extended Three-Dimensional, Diamond-like Copper(II) Network: A New Copper(II)/1-Hydroxybenzotriazolato Complex Exhibiting Soft-Magnet Properties and Two Transitions at 6.4 and 4.4 K","Inorganic Chemistry","2000","39","","2522","2529","10.1021/ic991149i","","","0.7107","MoKα","","0.0288","0.0232","","0.0706","0.0634","","","","0.895","0.848","0.848","","","","","has coordinates","179313","2020-10-21","18:00:00",""
"4322744","9.263","0.001","9.263","0.001","35.897","0.007","90","","90","","90","","3080.1","0.8","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C22 H36 Ba F6 N2 O10 -","- C22 H36 Ba F6 N2 O10 -","- C88 H144 Ba4 F24 N8 O40 -","4","0.5","","William A. Wojtczak; Mark J. Hampden-Smith; Eileen N. Duesler","Synthesis, Characterization, and Thermal Behavior of Polydentate Ligand Adducts of Barium Trifluoroacetate","Inorganic Chemistry","1998","37","","1781","1790","10.1021/ic9613220","","","0.71073","MoKα","","0.0771","0.0442","","0.0312","0.0267","","","","","0.97","0.97","","","","","has coordinates,has disorder","179330","2020-10-21","18:00:00",""
"4323640","12.888","0.002","12.8881","","42.927","0.002","90","","90","","90","","7130.3","1.2","296.2","","296.2","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C54 H55 Fe2 N36 Ni3 O7 -","- C54 H48 Fe2 N36 Ni2.5 O6.5 -","- C216 H192 Fe8 N144 Ni10 O26 -","4","0.5","","Kenneth Van Langenberg; Stuart R. Batten; Kevin J. Berry; David C. R. Hockless; Boujemaa Moubaraki; Keith S. Murray","Structure and Magnetism of a Bimetallic Pentanuclear Cluster [(Ni(bpm)2)3(Fe(CN)6)2].7H2O (bpm = Bis(1-pyrazolyl)methane)). The Role of the Hydrogen-Bonded 7H2O ""Cluster"" in Long-Range Magnetic Ordering","Inorganic Chemistry","1997","36","","5006","5015","10.1021/ic970160k","","","1.5418","CuKα","","0.1715","0.0468","","0.0517","0.038","","","","1.304","1.549","1.549","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324681","15.3937","0.001","15.3937","0.001","43.421","0.004","90","","90","","90","","10289.3","1.3","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C36 H81 Dy N3 O12 P3 -","- C36 H81 Dy N3 O12 P3 -","- C288 H648 Dy8 N24 O96 P24 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.1083","0.0801","","","0.2244","0.2589","","","","","","1.049","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324684","15.2872","0.0006","15.2872","0.0006","43.078","0.003","90","","90","","90","","10067.3","0.9","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C36 H81 N3 O12 P3 Tm -","- C36 H81 N3 O12 P3 Tm -","- C288 H648 N24 O96 P24 Tm8 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.1027","0.0566","","","0.1166","0.138","","","","","","1.036","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324685","15.3887","0.0006","15.3887","0.0006","43.295","0.003","90","","90","","90","","10252.8","0.9","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C36 H81 N3 O12 P3 Yb -","- C36 H81 N3 O12 P3 Yb -","- C288 H648 N24 O96 P24 Yb8 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.1339","0.1039","","","0.2051","0.2182","","","","","","1.176","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324716","12.8009","0.0011","12.8009","0.0011","37.601","0.004","90","","90","","90","","6161.4","1","223","2","223","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H94 N3 O2 Si2 Yb -","- C60 H94 N3 O2 Si2 Yb -","- C240 H376 N12 O8 Si8 Yb4 -","4","0.5","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71075","MoKα","","0.0737","0.0659","","","0.1437","0.1489","","","","","","1.113","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324717","12.7298","0.0007","12.7298","0.0007","37.972","0.003","90","","90","","90","","6153.3","0.7","223","2","223","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H94 N3 O2 Si2 Y -","- C60 H80 N3 O2 Si2 Y -","- C240 H320 N12 O8 Si8 Y4 -","4","0.5","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71073","MoKα","","0.0811","0.0672","","","0.1619","0.1705","","","","","","1.048","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324718","12.6488","0.0018","12.6488","0.0018","38.283","0.008","90","","90","","90","","6125","1.8","223","2","223","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H94 N3 Nd O2 Si2 -","- C60 H94 N3 Nd O2 Si2 -","- C240 H376 N12 Nd4 O8 Si8 -","4","0.5","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71073","MoKα","","0.0407","0.0373","","","0.0743","0.0763","","","","","","1.091","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324719","12.6732","0.0007","12.6732","0.0007","38.391","0.003","90","","90","","90","","6166","0.7","223","2","223","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H94 La N3 O2 Si2 -","- C60 H94 La N3 O2 Si2 -","- C240 H376 La4 N12 O8 Si8 -","4","0.5","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71075","MoKα","","0.0738","0.0582","","","0.1244","0.1394","","","","","","1.098","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4325007","21.6668","0.0017","21.6668","0.0017","10.4424","0.0008","90","","90","","90","","4902.2","0.7","123","","123","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C14 H32 B10 Br2 N2 O2 -","- C14 H32 B10 Br2 N2 O2 -","- C112 H256 B80 Br16 N16 O16 -","8","1","","Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura","m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis","Inorganic Chemistry","2011","50","","4149","4161","10.1021/ic2002095","","","0.71073","MoKα","","0.032","0.0259","","","0.0592","0.0608","","","","","","1.057","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325494","10.7648","0.0006","10.7648","0.0006","37.937","0.003","90","","90","","90","","4396.2","0.5","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C34 H64 Fe N2 O8 Si2 -","- C34 H64 Fe N2 O8 Si2 -","- C136 H256 Fe4 N8 O32 Si8 -","4","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez","Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles","Inorganic Chemistry","2011","50","","6174","6182","10.1021/ic200423m","","","0.71073","MoKα","","0.0533","0.0463","","","0.1119","0.1174","","","","","","1.044","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4326575","17.956","0.006","17.956","0.006","41.03","0.02","90","","90","","90","","13229","9","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","MoI3(THF)(CNArDipp2)","","","- C66 H82 I3 Mo N2 O -","- C66 H82 I3 Mo N2 O -","- C528 H656 I24 Mo8 N16 O8 -","8","1","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","0.71073","MoKα","","0.0799","0.064","","","0.1422","0.1519","","","","","","1.021","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4327016","12.2692","0.0009","12.2692","0.0009","17.0398","0.0014","90","","90","","90","","2565.1","0.3","120","2","120","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C16 H44 P4 U -","- C16 H44 P4 U -","- C64 H176 P16 U4 -","4","0.5","","Brian S. Newell; Trevor C. Schwaab; Matthew P. Shores","Synthesis and Characterization of a Novel Tetranuclear 5f Compound: A New Synthon for Exploring U(IV) Chemistry","Inorganic Chemistry","2011","50","","12108","12115","10.1021/ic201670z","","","0.71073","MoKα","","0.037","0.0318","","","0.0815","0.0841","","","","","","1.298","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4329668","21.553","0.002","21.553","0.002","40.781","0.005","90","","90","","90","","18944","3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C41 H35 N O24 Zn4 -","- C41 H20 N O24 Zn4 -","- C328 H160 N8 O192 Zn32 -","8","1","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.1458","0.0521","","","0.0678","0.0731","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330396","10.204","0.0015","10.204","0.0015","13.0998","0.0018","90","","90","","90","","1364","0.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C6 H12 N8 O Zn -","- C6 H12 N8 O Zn -","- C24 H48 N32 O4 Zn4 -","4","0.5","","Rui-Biao Lin; Da Chen; Yan-Yong Lin; Jie-Peng Zhang; Xiao-Ming Chen","A Zeolite-Like Zinc Triazolate Framework with High Gas Adsorption and Separation Performance","Inorganic Chemistry","2012","51","","9950","9955","10.1021/ic301463z","","","0.71073","MoKα","","0.1369","0.1359","","","0.3243","0.3248","","","","","","1.074","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4331045","12.9305","0.0002","12.9305","0.0002","27.1526","0.0008","90","","90","","90","","4539.86","0.17","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","[K(2,2,2-crypt)][Ni(2,2'-bipy)(Mes)2]","","- C46 H66 K N4 Ni O6 -","- C46 H66 K N4 Ni O6 -","- C184 H264 K4 N16 Ni4 O24 -","4","0.5","","Mark Irwin; Laurence R. Doyle; Tobias Krämer; Radovan Herchel; John E. McGrady; Jose M. Goicoechea","A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding","Inorganic Chemistry","2012","51","","12301","12312","10.1021/ic301587f","","","0.71073","MoKα","","0.0423","0.0338","","","0.0798","0.0839","","","","","","1.027","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331490","12.8","0.005","12.8","0.005","42.8","0.03","90","","90","","90","","7012","6","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C54 H55 Co2 N36 Ni3 O3.5 -","- C54 H48 Co2 N36 Ni3 O3.5 -","- C216 H192 Co8 N144 Ni12 O14 -","4","0.5","","Chen, Xiao-Yan; Shi, Wei; Xia, Jun; Cheng, Peng; Zhao, Bin; Song, Hai-Bin; Wang, Hong-Gen; Yan, Shi-Ping; Liao, Dai-Zheng; Jiang, Zong-Hui","Effect of the Semirigid Capping Ligand on the Structure Formation of Cyano-Bridged Bimetallic Assemblies: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","12","4263","4269","10.1021/ic050099g","","","0.71073","MoKα","","0.1194","0.0871","","","0.1523","0.1662","","","","","","1.12","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331496","9.6525","0.0003","9.6525","0.0003","22.4773","0.0017","90","","90","","90","","2094.23","0.18","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H18 Be N4 O2 -","- C26 H18 Be N4 O2 -","- C104 H72 Be4 N16 O8 -","4","0.5","","Tong, Yi-Ping; Zheng, Shao-Liang; Chen, Xiao-Ming","Syntheses, Structures, Photoluminescence, and Theoretical Studies of a Class of Beryllium(II) Compounds of Aromatic N,O-Chelate Ligands","Inorganic Chemistry","2005","44","12","4270","4275","10.1021/ic0501059","","","0.71073","MoKα","","0.0524","0.0425","","","0.1072","0.1134","","","","","","1.114","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4332008","8.2295","0.0003","8.2295","0.0003","25.681","0.002","90","","90","","90","","1739.24","0.16","150","","150","","","","","","","","?","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 Cl4 Cu N2 S4 -","- C12 H8 Cl4 Cu N2 S4 -","- C48 H32 Cl16 Cu4 N8 S16 -","4","0.5","","Staniland, Sarah S.; Harrison, Andrew; Robertson, Neil; Kamenev, Konstantin V.; Parsons, Simon","Structural and Magnetic Properties of [BDTA]2[MCl4] [M = Cu (1), Co (2), and Mn (3)], Revealing anS=1/2Square-Lattice Antiferromagnet with Weak Magnetic Exchange","Inorganic Chemistry","2006","45","15","5767","5773","10.1021/ic052024i","","","0.71073","MoKα","","0.0362","0.027","","0.0734","0.0651","0.0734","","","","","","0.9225","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332216","15.204","0.0008","15.204","0.0008","24.9089","0.0017","90","","90","","90","","5758","0.6","295","2","295","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H40 Cu2 F24 N8 O12 -","- C44 H40 Cu2 F24 N8 O12 -","- C176 H160 Cu8 F96 N32 O48 -","4","0.5","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.0437","0.0363","","","0.0844","0.0875","","","","","","0.893","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332587","6.8015","0.0002","6.8015","0.0002","9.2196","0.0006","90","","90","","90","","426.5","0.03","100","2","100","2","","","","","","","synthesized","4","P 43 21 2","P 4nw 2abw","96","","","","- C2 H2 Ca O4 -","- C2 H2 Ca O4 -","- C8 H8 Ca4 O16 -","4","0.5","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.0135","0.0133","","","0.035","0.035","","","","","","1.18","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4333901","12.5563","0.0003","12.5563","0.0003","48.8146","0.0012","90","","90","","90","","7696.1","0.3","100","2","100","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C34 H30 F12 N4 O2 P2 Ru S2 -","- C34 H30 F12 N4 O2 P2 Ru S2 -","- C272 H240 F96 N32 O16 P16 Ru8 S16 -","8","1","","Albert W. King; Yuhuan Jin; James T. Engle; Christopher J. Ziegler; Jeffrey J. Rack","Sequential Picosecond Isomerizations in a Photochromic Ruthenium Sulfoxide Complex Triggered by Pump-Repump-Probe Spectroscopy","Inorganic Chemistry","2013","52","","2086","2093","10.1021/ic302489a","","","1.54178","CuKα","","0.0574","0.0569","","","0.1505","0.1509","","","","","","0.858","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4335797","13.0633","0.0006","13.0633","0.0006","65.076","0.005","90","","90","","90","","11105.2","1.1","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C100 H132 Eu2 N8 O2 -","- C100 H132 Eu2 N8 O2 -","- C400 H528 Eu8 N32 O8 -","4","0.5","","Zhijun Feng; Xiancui Zhu; Shaoyin Wang; Shaowu Wang; Shuangliu Zhou; Yun Wei; Guangchao Zhang; Baojia Deng; Xiaolong Mu","Synthesis, Structure, and Reactivity of Lanthanide Complexes Incorporating Indolyl Ligands in Novel Hapticities","Inorganic Chemistry","2013","52","","9549","9556","10.1021/ic401515q","","","0.71073","MoKα","","0.0961","0.0723","","","0.1725","0.1834","","","","","","1.027","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335851","9.5341","0.0015","9.5341","0.0015","14.075","0.002","90","","90","","90","","1279.4","0.3","173.1","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H8 N4 O4 S -","- C13 H6 N4 O4 S -","- C52 H24 N16 O16 S4 -","4","0.5","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0353","","","","0.0956","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336056","10.7457","0.0007","10.7457","0.0007","14.4185","0.0013","90","","90","","90","","1664.9","0.2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H12 Fe N6 S2 -","- C10 H12 Fe N6 S2 -","- C40 H48 Fe4 N24 S8 -","4","0.5","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller","First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition","Inorganic Chemistry","2013","52","","10583","10594","10.1021/ic401558f","","","0.71073","MoKα","","0.0471","0.0437","","","0.1073","0.1103","","","","","","1.073","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336074","16.8968","0.0002","16.8968","0.0002","32.295","0.0005","90","","90","","90","","9220.3","0.2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Chloro(μ^4^-1,5-cyclooctadiene)[1,3-bis(2,4,6-triisopropylbenzyl)- (5,6-dimethyl)benzimidazol-2-ylidene] iridium(I)","","- C49 H70 Cl Ir N2 -","- C49 H70 Cl Ir N2 -","- C392 H560 Cl8 Ir8 N16 -","8","1","","Süleyman Gülcemal; Aytaç Gürhan Gökçe; Bekir Çetinkaya","N-Benzyl Substituted N-Heterocyclic Carbene Complexes of Iridium(I): Assessment in Transfer Hydrogenation Catalyst","Inorganic Chemistry","2013","52","","10601","10609","10.1021/ic401626e","","","0.71073","MoKα","","0.0573","0.0444","","","0.1071","0.1142","","","","","","1.053","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4338274","13.5401","0.0004","13.5401","0.0004","16.1906","0.001","90","","90","","90","","2968.3","0.2","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H24 Cu2 N6 O6 -","- C19 H24 Cu2 N6 O6 -","- C76 H96 Cu8 N24 O24 -","4","0.5","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0692","0.0652","","","0.19","0.1936","","","","","","1.021","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338279","13.505","0.0004","13.505","0.0004","14.9246","0.001","90","","90","","90","","2722","0.2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H24 Cu2 N6 O6 -","- C19 H24 Cu2 N6 O6 -","- C76 H96 Cu8 N24 O24 -","4","0.5","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0339","0.0322","","","0.0883","0.0896","","","","","","1.019","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338848","10.1135","0.0006","10.1135","0.0006","52.752","0.005","90","","90","","90","","5395.6","0.7","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C22 H48 N4 Ni O4 S2 -","- C22 H48 N4 Ni O4 S2 -","- C176 H384 N32 Ni8 O32 S16 -","8","1","","Green, Kayla N.; Brothers, Scott M.; Jenkins, Roxanne M.; Carson, Cody E.; Grapperhaus, Craig A.; Darensbourg, Marcetta Y.","An experimental and computational study of sulfur-modified nucleophilicity in a dianionic NiN2S2 complex.","Inorganic chemistry","2007","46","18","7536","7544","10.1021/ic700878y","","","0.71073","MoKα","","0.0642","0.0597","","","0.1571","0.1619","","","","","","1.04","","","","has coordinates,has disorder","179491","2020-10-21","18:00:00",""
"4340945","20.8348","0.0016","20.8348","0.0016","14.064","0.002","90","","90","","90","","6105","1.1","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H23.82 Ca N2 O9.91 -","- C30 H22 Ca N2 O9.911 -","- C240 H176 Ca8 N16 O79.288 -","8","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.0695","0.0564","","","0.1428","0.1516","","","","","","1.033","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340948","19.9415","0.0009","19.9415","0.0009","14.9995","0.0013","90","","90","","90","","5964.8","0.6","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H28.1 N2 O12.05 Sr -","- C30 H22 N2 O12.047 Sr -","- C240 H176 N16 O96.376 Sr8 -","8","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.0356","0.0325","","","0.0841","0.086","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341422","12.5085","0.0001","12.5085","0.0001","70.2284","0.0015","90","","90","","90","","10988.1","0.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","D-453","","","- C35 H35 Cu4 N2.5 O22.5 -","- C35 H20 Cu4 N2 O21 -","- C280 H160 Cu32 N16 O168 -","8","1","","Xu, Zhong-Xuan; Tan, Yan-Xi; Fu, Hong-Ru; Liu, Juan; Zhang, Jian","Homochiral Metal‒Organic Frameworks with Enantiopure Proline Units for the Catalytic Synthesis of β-Lactams","Inorganic Chemistry","2014","","","141031102220000","","10.1021/ic501849g","","","1.54178","CuKα","","0.0924","0.0874","","","0.2544","0.262","","","","","","1.013","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341735","7.088","0.003","7.088","0.003","34.725","0.016","90","","90","","90","","1744.6","1.3","100","2","100","2","","","","","","","synthesis as described","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H28 N2 Ni O9 -","- C14 H28 N2 Ni O9 -","- C56 H112 N8 Ni4 O36 -","4","0.5","","Regueiro-Figueroa, Martín; Lima, Luís M. P.; Blanco, Víctor; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Delgado, Rita; Platas-Iglesias, Carlos","Reasons behind the Relative Abundances of Heptacoordinate Complexes along the Late First-Row Transition Metal Series","Inorganic Chemistry","2014","","","141121114021002","","10.1021/ic501869y","","x-ray","0.71073","MoKα","","0.032","0.0279","","","0.0588","0.0602","","","","","","1.075","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4343002","13.427","0.003","13.427","0.003","44.203","0.007","90","","90","","90","","7969","3","100.02","0.1","100.02","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C103 H64 Cl2 N6 O4 Ru2 -","- C102 H62 N6 O4 Ru2 -","- C408 H248 N24 O16 Ru8 -","4","0.5","","Białek, Michał J; Białońska, Agata; Latos-Grażyński, Lechosław","Oxidation and Oxygenation of Carbonyl Ruthenium(II) Azuliporphyrin.","Inorganic chemistry","2015","54","13","6184","6194","10.1021/acs.inorgchem.5b00324","","","0.71073","MoKα","","0.3286","0.1055","","","0.1698","0.2643","","","","","","0.967","","","","has coordinates","152795","2020-10-21","18:00:00",""
"4343022","18.076","0.003","18.076","0.003","45.656","0.009","90","","90","","90","","14918","5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Co4L6-NO2-DBU(R)","","","- C96 H86 Co4 N14 O26 -","- C96 H86 Co4 N14 O26 -","- C384 H344 Co16 N56 O104 -","4","0.5","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.7","SynchrotronRadiation","","0.052","0.0482","","","0.1446","0.149","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343639","7.49","","7.49","","13.24","","90","","90","","90","","742.765","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","U (B H4)4","","- B4 H16 U -","- B4 H16 U -","- B16 H64 U4 -","4","0.5","","Bernstein, E.R.; Lippard, S.J.; Hamilton, W.C.; Mayerle, J.J.; Keiderling, T.A.; la Placa, S.J.","14-Coordinate Uranium(IV). The structure of uranium borohydride by single-crystal neutron diffraction","Inorganic Chemistry","1972","11","","3009","3016","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343813","13.524","","13.524","","13.765","","90","","90","","90","","2517.6","","","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","(Cu (S C (N H2)2)3) Br","","- C3 H12 Br Cu N6 S3 -","- C3 H12 Br Cu N6 S3 -","- C24 H96 Br8 Cu8 N48 S24 -","8","1","","Bowmaker, G.A.; Hanna, J.V.; White, A.H.; Pakawatchai, C.; Thanyasirikul, Y.; Skelton, B.W.","Crystal structures and vibrational spectroscopy of copper(I) thiourea complexes","Inorganic Chemistry","2009","48","","350","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343815","13.836","","13.836","","14.027","","90","","90","","90","","2685.26","","","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","(Cu (S C (N H2)2)3) I","","- C3 H12 Cu I N6 S3 -","- C3 H12 Cu I N6 S3 -","- C24 H96 Cu8 I8 N48 S24 -","8","1","","Bowmaker, G.A.; Hanna, J.V.; Pakawatchai, C.; Skelton, B.W.; White, A.H.; Thanyasirikul, Y.","Crystal structures and vibrational spectroscopy of copper(I) thiourea complexes","Inorganic Chemistry","2009","48","","350","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4345423","16.9724","0.0003","16.9724","0.0003","23.6721","0.0005","90","","90","","90","","6819","0.2","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H38 O20 Pb U2 -","- C24 H36 O20 Pb U2 -","- C192 H288 O160 Pb8 U16 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0622","0.053","","","0.1461","0.1543","","","","","","1.099","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4347043","16.3524","0.0003","16.3524","0.0003","47.408","0.002","90","","90","","90","","12676.9","0.6","296","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C25 H64 Cu8 N3 Na5 O58 -","- C25 H64 Cu8 N3 Na4.999 O58 -","- C200 H512 Cu64 N24 Na39.992 O464 -","8","1","","Meng, Wei; Xu, Feng; Xu, Weijian","Enantiomerically Pure Chiral {Cu(II)32}-Based 2D-Layered Frameworks: From the Asymmetric Octacopper(II) Subcomponents to 3D Hierarchical Supramolecular Structures.","Inorganic chemistry","2016","55","6","2673","2675","10.1021/acs.inorgchem.5b02654","","","0.71073","MoKα","","0.121","0.0817","","","0.1917","0.2042","","","","","","1.068","","","","has coordinates,has disorder","232138","2020-10-21","18:00:00",""
"4347198","14.5081","0.0006","14.5081","0.0006","29.8275","0.0016","90","","90","","90","","6278.2","0.5","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C55 H63 F12 N14 O2.5 P2 Ru2 -","- C55 H63 F12 N14 O2.5 P2 Ru2 -","- C220 H252 F48 N56 O10 P8 Ru8 -","4","0.5","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Dechert, Sebastian; Benet-Buchholz, Jordi; Llobet, Antoni; Meyer, Franc","Establishing the Family of Diruthenium Water Oxidation Catalysts Based on the Bis(bipyridyl)pyrazolate Ligand System.","Inorganic chemistry","2016","55","5","2508","2521","10.1021/acs.inorgchem.5b02869","","","0.71073","MoKα","","0.0944","0.0582","","","0.1181","0.1327","","","","","","1.079","","","","has coordinates,has disorder","232216","2020-10-21","18:00:00",""
"4348460","11.4466","0.0001","11.4466","0.0001","14.7076","0.0002","90","","90","","90","","1927.06","0.04","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C11 H13 Cu3 N9 O7 -","- C11 H13 Cu3 N9 O7 -","- C44 H52 Cu12 N36 O28 -","4","0.5","","Ahmed, Basil M.; Mezei, Gellert","From Ordinary to Extraordinary: Insights into the Formation Mechanism and pH-Dependent Assembly/Disassembly of Nanojars.","Inorganic chemistry","2016","55","15","7717","7728","10.1021/acs.inorgchem.6b01172","","","0.71073","MoKα","","0.0573","0.0284","","","0.0579","0.0663","","","","","","1.03","","","","has coordinates,has disorder","232960","2020-10-21","18:00:00",""
"4348660","14.8383","0.001","14.8383","0.001","33.384","0.005","90","","90","","90","","7350.3","1.3","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C68 H88 Cl4 N8 O16 Zn2 -","- C68 H88 Cl4 N8 O16 Zn2 -","- C272 H352 Cl16 N32 O64 Zn8 -","4","0.5","","Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei","Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.","Inorganic chemistry","2016","55","17","8260","8262","10.1021/acs.inorgchem.6b01493","","","0.71073","MoKα","","0.0974","0.0517","","","0.1043","0.1177","","","","","","1.002","","","","has coordinates","233234","2020-10-21","18:00:00",""
"4348988","13.5432","0.0014","13.5432","0.0014","41.646","0.009","90","","90","","90","","7639","2","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C123 H166 B4 Cl6 Cu4 F16 N24 -","- C123 H166 B4 Cl6 Cu4 F16 N24 -","- C246 H332 B8 Cl12 Cu8 F32 N48 -","2","0.25","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Exploring potential cooperative effects in dicopper(i)-di-mesoionic carbene complexes: applications in click catalysis","Inorganic Chemistry Frontiers","2016","3","1","67","","10.1039/C5QI00163C","","","0.71073","MoKα","","0.1015","0.09","","","0.2381","0.2475","","","","","","1.082","","","","has coordinates,has disorder","233529","2020-10-21","18:00:00",""
"4349109","10.5373","0.0007","10.5373","0.0007","26.5599","0.0018","90","","90","","90","","2949.1","0.3","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C18 H35 Cl3 Dy N O20 -","- C18 H35 Cl3 Dy N O20 -","- C72 H140 Cl12 Dy4 N4 O80 -","4","0.5","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.0827","0.0747","","","0.1877","0.1932","","","","","","1.125","","","","has coordinates","233582","2020-10-21","18:00:00",""
"4349280","8.882","0.001","8.882","0.001","35.469","0.001","90","","90","","90","","2798.1","0.5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H32 I3 P4 Sc -","- C20 H32 I3 P4 Sc -","- C80 H128 I12 P16 Sc4 -","4","0.5","","Carravetta, Marina; Concistre, Maria; Levason, William; Reid, Gillian; Zhang, Wenjian","Rare Neutral Diphosphine Complexes of Scandium(III) and Yttrium(III) Halides.","Inorganic chemistry","2016","55","24","12890","12896","10.1021/acs.inorgchem.6b02268","","","0.71075","MoKα","","0.0278","0.0258","","","0.0575","0.0581","","","","","","1.156","","","","has coordinates","233808","2020-10-21","18:00:00",""
"4500027","7.8","0.0002","7.8","0.0002","13.6369","0.0003","90","","90","","90","","829.67","0.04","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 43 21 2","P 4nw 2abw","96","","","","- C7 H7 N7 -","- C7 H7 N7 -","- C28 H28 N28 -","4","0.5","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0274","0.0274","","","0.0735","0.0735","","","","","","1.071","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500189","8.8551","0.0019","8.8551","0.0019","30.282","0.007","90","","90","","90","","2374.5","0.9","293","","293","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C96 H88 N8 O16 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.","Sulfonamide Molecular Crystals: Thermodynamic and Structural Aspects","Crystal Growth & Design","2011","11","4","1067","","10.1021/cg1012389","","","0.7107","MoKα","","","0.0615","","","","0.0537","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500462","15.543","0.003","15.543","0.003","19.21","0.005","90","","90","","90","","4640.8","1.8","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C17.5 H22 Cl4 N2 O5.5 S -","- C17.5 H16 Cl4 N2 O5.5 S -","- C140 H128 Cl32 N16 O44 S8 -","8","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Organic Complexes Built by Halogenated Molecules: Unexpectedin SituC‒N Bond Formation in Metal-Free Solvothermal Conditions","Crystal Growth & Design","2011","11","6","2035","","10.1021/cg101550w","","","0.71073","MoKα","","0.0604","0.0541","","","0.1673","0.1819","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500671","7.8871","0.0005","7.8871","0.0005","51.1","0.007","90","","90","","90","","3178.7","0.5","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H14 Cl N3 O4 S -","- C16 H14 Cl N3 O4 S -","- C128 H112 Cl8 N24 O32 S8 -","8","1","","Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini","Sulfonamide−Pyridine-N-oxide Cocrystals","Crystal Growth & Design","2011","11","5","1930","","10.1021/cg200094x","","","0.71073","MoKα","","0.0325","0.0325","","","0.078","0.0781","","","","","","1.151","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4501772","8.7358","0.0002","8.7358","0.0002","30.2334","0.0007","90","","90","","90","","2307.24","0.09","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C24 H26 O4 S2 -","- C24 H26 O4 S2 -","- C96 H104 O16 S8 -","4","0.5","","Lee, Tu; Peng, Jen Fan","Photoluminescence and Crystal Structures of Chiro-Optical 1,1′-Bi-2-naphthol Crystals and Their Inclusion Compounds with Dimethyl Sulfoxide","Crystal Growth & Design","2010","10","8","3547","","10.1021/cg1004648","","","","","","0.115","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502391","13.45","0.0004","13.45","0.0004","45.141","0.0013","90","","90","","90","","8166.1","0.4","296","2","296","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","(S)-1-(p-chlorophenyl)ethylammonium_(Rp)-O-ethyl(p-chlrophenyl)phosphonothioate","","","- C16 H20 Cl2 N O2 P S -","- C16 H19.5 Cl2 N O2 P S -","- C256 H312 Cl32 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","0.0487","0.0428","","","0.1242","0.1347","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502392","13.489","0.0005","13.489","0.0005","45.241","0.0017","90","","90","","90","","8231.7","0.5","103","2","103","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","(S)-1-(p-bromophenyl)ethylammonium_(Rp)-O-ethyl(p-chlorophenyl)phosphonothioate","","","- C16 H20 Br Cl N O2 P S -","- C16 H20 Br Cl N O2 P S -","- C256 H320 Br16 Cl16 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","0.0819","0.0607","","","0.1629","0.1821","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503248","10.9115","0.0015","10.9115","0.0015","23.638","0.005","90","","90","","90","","2814.4","0.8","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C18 H36 Cu3 N3 S4 W -","- C18 H36 Cu3 N3 S4 W -","- C72 H144 Cu12 N12 S16 W4 -","4","0.5","","Zhang, Jinfang; Song, Yinglin; Yang, Junyi; Humphrey, Mark G.; Zhang, Chi","A Single-Bridge Strategy for Synthesis of a 3-D Heterobimetallic Cluster with a Heavily Distorted Diamondoid Topology and Enhanced Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2008","8","2","387","","10.1021/cg700877n","","","0.71073","MoKα","","0.1274","0.0641","","","0.122","0.1516","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504392","11.0983","0.0007","11.0983","0.0007","19.6865","0.0019","90","","90","","90","","2424.8","0.3","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","Co-pyrimidine helix","","","- C4 H4 Co F6 N2 O5 Si -","- C4 H4 Co F6 N2 O5 Si -","- C32 H32 Co8 F48 N16 O40 Si8 -","8","1","","Cordes, David, B.; Rogers, Robin D.","Enantiomorphic Helical Coordination Polymers of {[M(pyrimidine)(OH2)4][SiF6]·H2O}∞(M = Co2+, Cu2+, Zn2+)","Crystal Growth & Design","2007","7","10","1943","","10.1021/cg070462p","","","0.71073","MoKα","","0.1107","0.0854","","","0.2103","0.2233","","","","","","1.117","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504784","18.6724","0.0006","18.6724","0.0006","16.8341","0.0005","90","","90","","90","","5869.4","0.3","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C50 H38 Mn N4 O14 P -","- C50 H36 Mn N4 O14 P -","- C200 H144 Mn4 N16 O56 P4 -","4","0.5","","George, Sumod; Goldberg, Israel","Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections","Crystal Growth & Design","2006","6","3","755","","10.1021/cg050624m","","","0.71073","MoKα","","0.0912","0.0663","","","0.1676","0.1802","","","","","","0.978","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4505057","9.289","0.0013","9.289","0.0013","25.028","0.005","90","","90","","90","","2159.6","0.6","193","2","193","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","3,3,3',3'-tetra(2-hydroxyethyl)-1,1'-isophthaloylbis(thiourea)","","- C18 H26 N4 O6 S2 -","- C18 H26 N4 O6 S2 -","- C72 H104 N16 O24 S8 -","4","0.5","","Bourne, Susan A.; Hallale, Oren; Koch, Klaus R.","Hydrogen-Bonding Networks in a Bipodal Acyl-thiourea and Its NiII2:2 Metallamacrocyclic Complex","Crystal Growth & Design","2005","5","1","307","","10.1021/cg049877q","","","0.71073","MoKα","","0.0287","0.0266","","","0.0736","0.0753","","","","","","1.026","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505502","12.5879","0.0018","12.5879","0.0018","25.09","0.005","90","","90","","90","","3975.6","1.1","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C8 H12 Co1.5 N5 O8 -","- C8 H4 Co1.5 N5 O8 -","- C64 H32 Co12 N40 O64 -","8","1","","Xie, Li-Xia; Hou, Xiao-Wei; Fan, Yao-Ting; Hou, Hong-Wei","Four Three-Dimensional Coordination Polymers Constructed by 2-((1H-1,2,4-Triazol-1-yl)methyl)-1H-Imidazole-4,5-Dicarboxylate: Syntheses, Topological Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1282","","10.1021/cg201287t","","","0.71073","MoKα","","0.0662","0.0658","","","0.2021","0.2025","","","","","","1.195","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507218","11.4957","0.0008","11.4957","0.0008","37.257","0.004","90","","90","","90","","4923.6","0.7","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H23 Co N3 O5 -","- C27 H22 Co N3 O5 -","- C216 H176 Co8 N24 O40 -","8","1","","Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle; Öhrström Lars","Concomitant Metal Organic Frameworks of Cobalt(II) and 3-(4-Pyridyl)benzoate: Optimized Synthetic Conditions of Solvatochromic and Thermochromic Systems","Crystal Growth & Design","2013","13","2","633","","10.1021/cg301312v","","","0.71073","MoKα","","0.079","0.0658","","","0.1384","0.1432","","","","","","1.179","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507364","15.8964","0.0006","15.8964","0.0006","17.0316","0.0012","90","","90","","90","","4303.8","0.4","273","2","273","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H15 Co N3 O6 -","- C26 H15 Co N3 O6 -","- C208 H120 Co8 N24 O48 -","8","1","","Yang, Qingxiang; Huang, Liangfang; Zhang, Mingdao; Li, Yizhi,; Zheng, Hegen; Lu, Qingyi","An Unprecedented Homochiral Metal‒Organic Framework Based on Achiral Nanosized Pyridine and V-Shaped Polycarboxylate Acid Ligand","Crystal Growth & Design","2013","13","2","440","","10.1021/cg301600x","","","0.71073","MoKα","","0.0496","0.0399","","","0.0807","0.0824","","","","","","1.009","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507770","7.0694","0.001","7.0694","0.001","35.24","0.007","90","","90","","90","","1761.2","0.5","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C7 H10 F3 N O3 -","- C7 H10 F3 N O3 -","- C56 H80 F24 N8 O24 -","8","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","1.54178","CuKα","","0.0437","0.0437","","","0.1122","0.1122","","","","","","1.099","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507981","8.3066","0.0015","8.3066","0.0015","25.829","0.005","90","","90","","90","","1782.2","0.6","293","2","293","2","","","","","","","synthesis as described","3","P 43 21 2","P 4nw 2abw","96","","","","- C11 H11 O2 -","- C11 H11 O2 -","- C88 H88 O16 -","8","1","","Mahieux, J.; Sanselme, M.; Harthong, S.; Melan, C.; Aronica, C.; Guy, L.; Coquerel, G.","Preparative Resolution of (±)-Bis-tetralone by Means of Autoseeded Preferential Crystallization Induced by Solvent Evaporation (ASPreCISE)","Crystal Growth & Design","2013","13","8","3621","","10.1021/cg400589u","","x-ray","0.71073","MoKα","","0.0429","0.0408","","","0.1138","0.1163","","","","","","1.064","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4508447","17.764","0.003","17.764","0.003","15.355","0.003","90","","90","","90","","4845.4","1.5","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C18 H16 Ho2 O12 -","- C18 H16 Ho2 O12 -","- C144 H128 Ho16 O96 -","8","1","","Gomez, Germ E.; Bernini, Mar C.; Brusau, Elena V.; Narda, Griselda E.; Massad, Walter A.; Labrador, Ana","Two Sets of Metal Organic Frameworks along the Lanthanide Series Constructed by 2,3-Dimethylsuccinate: Structures, Topologies, and Strong Emission without Ligand Sensitization","Crystal Growth & Design","2013","13","12","5249","","10.1021/cg401006d","","","1.54184","CuKα","","0.0681","0.0587","","","0.1316","0.1347","","","","","","1.131","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508559","15.8642","0.0004","15.8642","0.0004","42.9758","0.0015","90","","90","","90","","10815.8","0.5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","PCH469","","","- C57 H65 Cd N5 O12 -","- C51 H42 Cd N3 O9 -","- C408 H336 Cd8 N24 O72 -","8","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.7749","synchrotron","","0.0687","0.0643","","","0.1764","0.1804","","","","","","1.048","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4510232","15.3019","0.0004","15.3019","0.0004","23.1993","0.0009","90","","90","","90","","5432.1","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C29 H23 N5 O14 Zn3 -","- C26 H14 N4 O12 Zn3 -","- C104 H56 N16 O48 Zn12 -","4","0.5","","Wang, Jing; Luo, Jiahuan; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of Two Flexible Metal‒Organic Frameworks with Stepwise Gas Adsorption and Highly Selective CO2Adsorption","Crystal Growth & Design","2014","14","5","2375","","10.1021/cg500091k","","","0.71073","MoKα","","0.0793","0.0583","","","0.1579","0.1714","","","","","","1.051","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510443","22.943","0.003","22.943","0.003","10.4944","0.0013","90","","90","","90","","5524.1","1.2","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C43 H58 Ag2 N16 O4 -","- C43 H58 Ag2 N16 O4 -","- C172 H232 Ag8 N64 O16 -","4","0.5","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1209","0.0878","","","0.2155","0.2276","","","","","","1.254","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4511485","16.622","0.003","16.622","0.003","17.733","0.006","90","","90","","90","","4899","2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H24 Br2 Cu2 N4 -","- C24 H24 Br2 Cu2 N4 -","- C192 H192 Br16 Cu16 N32 -","8","1","","Hu, Sheng; Zhou, Ai-Ju; Zhang, Yue-Hua; Ding, Shu; Tong, Ming-Liang","1D Tubular Chains and 3D Polycatenane Frameworks Constructed with Cu2X2Dimers (X = Br-, I-, CN-) and Flexible Dipyridyl Spacers","Crystal Growth & Design","2006","6","11","2543","","10.1021/cg060370k","","","0.71073","MoKα","","0.0995","0.0466","","","0.0709","0.0814","","","","","","0.828","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511487","12.2098","0.001","12.2098","0.001","35.803","0.004","90","","90","","90","","5337.5","0.9","123","2","123","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H28 Br2 Cu2 N4 -","- C26 H28 Br2 Cu2 N4 -","- C208 H224 Br16 Cu16 N32 -","8","1","","Hu, Sheng; Zhou, Ai-Ju; Zhang, Yue-Hua; Ding, Shu; Tong, Ming-Liang","1D Tubular Chains and 3D Polycatenane Frameworks Constructed with Cu2X2Dimers (X = Br-, I-, CN-) and Flexible Dipyridyl Spacers","Crystal Growth & Design","2006","6","11","2543","","10.1021/cg060370k","","","0.71073","MoKα","","0.0938","0.0641","","","0.1492","0.1666","","","","","","1.021","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4512206","18.1041","0.0002","18.1041","0.0002","16.4374","0.0005","90","","90","","90","","5387.5","0.18","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C40 H40 Cl N6 Nd O10 -","- C40 H40 Cl N6 Nd O10 -","- C160 H160 Cl4 N24 Nd4 O40 -","4","0.5","","Sun, Jing-Wen; Zhu, Jing; Song, Hui-Feng; Li, Guang-Ming; Yao, Xu; Yan, Peng-Fei","Spontaneous Resolution of Racemic Salen-Type Ligand in the Construction of 3D Homochiral Lanthanide Frameworks","Crystal Growth & Design","2014","14","11","5356","","10.1021/cg501211f","","","0.71073","MoKα","","0.0506","0.0411","","","0.1186","0.1245","","","","","","1.096","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512207","18.1798","0.0002","18.1798","0.0002","16.4174","0.0003","90","","90","","90","","5426.03","0.13","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C40 H40 Cl La N6 O10 -","- C40 H40 Cl La N6 O10 -","- C160 H160 Cl4 La4 N24 O40 -","4","0.5","","Sun, Jing-Wen; Zhu, Jing; Song, Hui-Feng; Li, Guang-Ming; Yao, Xu; Yan, Peng-Fei","Spontaneous Resolution of Racemic Salen-Type Ligand in the Construction of 3D Homochiral Lanthanide Frameworks","Crystal Growth & Design","2014","14","11","5356","","10.1021/cg501211f","","","0.71073","MoKα","","0.0591","0.0457","","","0.1151","0.1222","","","","","","1.061","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512208","18.216","0.003","18.216","0.003","16.483","0.003","90","","90","","90","","5469.4","1.6","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C40 H44 Ce Cl N6 O10 -","- C40 H44 Ce Cl N6 O10 -","- C160 H176 Ce4 Cl4 N24 O40 -","4","0.5","","Sun, Jing-Wen; Zhu, Jing; Song, Hui-Feng; Li, Guang-Ming; Yao, Xu; Yan, Peng-Fei","Spontaneous Resolution of Racemic Salen-Type Ligand in the Construction of 3D Homochiral Lanthanide Frameworks","Crystal Growth & Design","2014","14","11","5356","","10.1021/cg501211f","","","0.71073","MoKα","","0.0669","0.048","","","0.1111","0.1173","","","","","","1.031","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512279","8.9256","0.0001","8.9256","0.0001","18.4297","0.0002","90","","90","","90","","1468.23","0.03","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","dichloro-(bis(2-pyridylmethyl)selenide-N,N')-zinc(ii)","","- C12 H12 Cl2 N2 Se Zn -","- C12 H12 Cl2 N2 Se Zn -","- C48 H48 Cl8 N8 Se4 Zn4 -","4","0.5","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.0188","0.0187","","","0.0533","0.0533","","","","","","0.916","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512568","9.4259","0.0003","9.4259","0.0003","45.174","0.003","90","","90","","90","","4013.6","0.3","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C22 H22 N4 O5 -","- C22 H22 N4 O5 -","- C176 H176 N32 O40 -","8","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0539","0.0471","","","0.1351","0.1418","","","","","","1.034","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512571","9.1474","0.0003","9.1474","0.0003","45.447","0.002","90","","90","","90","","3802.8","0.2","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H19 N3 O5 S -","- C20 H19 N3 O5 S -","- C160 H152 N24 O40 S8 -","8","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0766","0.0631","","","0.1561","0.1687","","","","","","1.026","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512577","9.2737","0.0003","9.2737","0.0003","45.268","0.002","90","","90","","90","","3893.1","0.2","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C168 H160 N32 O40 -","8","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0715","0.0645","","","0.1497","0.1541","","","","","","0.997","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4513383","12.3687","0.0005","12.3687","0.0005","44.436","0.002","90","","90","","90","","6798","0.5","200","2","200","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(R,R,SN-R,R,SN)-2A","","","- C72 H78 N4 O11 Ti2 -","- C72 H78 N4 O11 Ti2 -","- C288 H312 N16 O44 Ti8 -","4","0.5","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.0429","0.0389","","","0.1084","0.1112","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513386","12.2324","0.0004","12.2324","0.0004","45.9762","0.0016","90","","90","","90","","6879.5","0.4","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(R,R,SN-R,R,SN)-Ti-3A","","","- C68 H66 Br4 N4 O7 Ti2 -","- C68 H66 Br4 N4 O7 Ti2 -","- C272 H264 Br16 N16 O28 Ti8 -","4","0.5","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.042","0.0339","","","0.091","0.0934","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513652","15.7679","0.0001","15.7679","0.0001","32.7215","0.0005","90","","90","","90","","8135.44","0.14","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","cis-dibromido(methyl-4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-glucopyranoside)palladium(II)","","- C14.75 H21.5 Br2 Cl1.5 N2 O4 Pd -","- C14.75 H21.5 Br2 Cl1.5 N2 O4 Pd -","- C236 H344 Br32 Cl24 N32 O64 Pd16 -","16","2","","Böge, Matthias; Heck, Jürgen","One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System","Crystal Growth & Design","2015","15","11","5280","","10.1021/acs.cgd.5b00797","","","0.71073","MoKα","","0.0362","0.0298","","","0.0642","0.0666","","","","","","1.045","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4516223","6.0598","0.0004","6.0598","0.0004","60.491","0.004","90","","90","","90","","2221.3","0.3","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H30 N2 O5 Pd -","- C22 H30 N2 O5 Pd -","- C88 H120 N8 O20 Pd4 -","4","0.5","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.71073","MoKα","","0.0517","0.0455","","","0.0984","0.1005","","","","","","1.056","","","","has coordinates,has disorder","227711","2020-10-21","18:00:00",""
"4516515","6.3949","0.0002","6.3949","0.0002","57.5399","0.0018","90","","90","","90","","2353.08","0.13","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H14 F10 N2 O3 -","- C26 H14 F10 N2 O3 -","- C104 H56 F40 N8 O12 -","4","0.5","","Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Finding the Perfect Match: Halogen vs Hydrogen Bonding","Crystal Growth & Design","2015","15","10","4756","","10.1021/acs.cgd.5b01260","","","0.71073","MoKα","","0.0477","0.043","","","0.1057","0.1078","","","","","","1.135","","","","has coordinates,has disorder","231352","2020-10-21","18:00:00",""
"4516552","15.0506","0.0006","15.0506","0.0006","55.721","0.002","90","","90","","90","","12622","0.8","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C120 H91 La3 N8 O46 -","- C120 H72 La3 N8 O46 -","- C480 H288 La12 N32 O184 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","x-ray","0.71073","MoKα","","0.0635","0.0502","","","0.097","0.1012","","","","","","1.077","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516553","15.0749","0.001","15.0749","0.001","55.646","0.007","90","","90","","90","","12646","2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C120 H91 Ce3 N8 O46 -","- C120 H72 Ce3 N8 O46 -","- C480 H288 Ce12 N32 O184 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0394","0.0368","","","0.0894","0.0905","","","","","","1.093","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516554","14.9573","0.0009","14.9573","0.0009","55.69","0.003","90","","90","","90","","12459","1.3","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 N8 O45 Sm3 -","- C122 H77 N8 O45 Sm3 -","- C488 H308 N32 O180 Sm12 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","x-ray","0.71073","MoKα","","0.034","0.0326","","","0.0717","0.0722","","","","","","1.14","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516555","14.9044","0.001","14.9044","0.001","55.8","0.004","90","","90","","90","","12395.5","1.5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 Eu3 N8 O45 -","- C122 H85 Eu3 N8 O45 -","- C488 H340 Eu12 N32 O180 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","x-ray","0.71073","MoKα","","0.0316","0.0304","","","0.0657","0.0661","","","","","","1.171","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516556","14.9247","0.0008","14.9247","0.0008","55.654","0.006","90","","90","","90","","12396.7","1.6","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 Gd3 N8 O45 -","- C122 H77 Gd3 N8 O45 -","- C488 H308 Gd12 N32 O180 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0439","0.0424","","","0.0938","0.0944","","","","","","1.19","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516557","14.9043","0.0007","14.9043","0.0007","55.841","0.005","90","","90","","90","","12404.4","1.4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 N8 O45 Tb3 -","- C122 H77 N8 O45 Tb3 -","- C488 H308 N32 O180 Tb12 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0414","0.0394","","","0.0891","0.0898","","","","","","1.139","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516558","14.9189","0.0005","14.9189","0.0005","55.485","0.004","90","","90","","90","","12349.5","1.1","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 Dy3 N8 O45 -","- C122 H77 Dy3 N8 O45 -","- C488 H308 Dy12 N32 O180 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0592","0.0539","","","0.1223","0.1243","","","","","","1.133","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516559","14.8679","0.0016","14.8679","0.0016","55.353","0.006","90","","90","","90","","12236","2","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C120 H89 Ce2.27 N8 O45 Tb0.73 -","- C120 H72 Ce2.27 N8 O45 Tb0.73 -","- C480 H288 Ce9.08 N32 O180 Tb2.92 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","x-ray","0.71073","MoKα","","0.0793","0.0548","","","0.1137","0.122","","","","","","1.052","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516560","14.9095","0.0006","14.9095","0.0006","55.729","0.004","90","","90","","90","","12388.2","1.1","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 Gd0.36 N8 O45 Tb2.64 -","- C122 H77 Gd0.36 N8 O45 Tb2.64 -","- C488 H308 Gd1.44 N32 O180 Tb10.56 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.047","0.0378","","","0.0748","0.077","","","","","","1.018","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516561","14.9837","0.0007","14.9837","0.0007","55.753","0.005","90","","90","","90","","12517.2","1.4","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C120 H89 Ce1.41 Gd0.27 N8 O45 Tb1.32 -","- C120 H72 Ce1.41 Gd0.27 N8 O44.999 Tb1.32 -","- C480 H288 Ce5.64 Gd1.08 N32 O179.996 Tb5.28 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0478","0.0411","","","0.0975","0.0998","","","","","","1.068","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4517425","7.97537","0.00005","7.97537","0.00005","34.7796","0.0003","90","","90","","90","","2212.21","0.03","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond","C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles","ACS Catalysis","2020","","","2929","2941","10.1021/acscatal.9b04551","","","1.54184","CuKα","","0.0272","0.0271","","","0.0699","0.07","","","","","","1.058","","","","has coordinates","257056","2020-10-21","18:00:00",""
"4517523","10.9434","0.0006","10.9434","0.0006","60.442","0.004","90","","90","","90","","7238.4","0.7","295","2","295","2","","","","","","","","9","P 43 21 2","P 4nw 2abw","96","","","","- C35 H40 Cl F3 N2 O5 P Rh S -","- C35 H40 Cl F3 N2 O5 P Rh S -","- C280 H320 Cl8 F24 N16 O40 P8 Rh8 S8 -","8","1","","Xu, Wen-Bin; Ghorai, Samir; Huang, Wenyu; Li, Changkun","Rh(I)/Bisoxazolinephosphine-Catalyzed Regio- and Enantioselective Allylic Substitutions","ACS Catalysis","2020","","","4491","4496","10.1021/acscatal.0c00712","","","1.54178","CuKα","","0.0264","0.0256","","","0.0683","0.0692","","","","","","0.996","","","","has coordinates","257048","2020-10-21","18:00:00",""
"4517709","14.75","0.007","14.75","0.007","35.67","0.02","90","","90","","90","","7760","7","90","2","90.15","","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C31 H60 F6 In N2 O2 P Si -","- C31 H60 F6 In N2 O2 P Si -","- C248 H480 F48 In8 N16 O16 P8 Si8 -","8","1","","Jung, Hyuk-Joon; Yu, Insun; Nyamayaro, Kudzanai; Mehrkhodavandi, Parisa","Indium-Catalyzed Block Copolymerization of Lactide and Methyl Methacrylate by Sequential Addition","ACS Catalysis","2020","","","6488","6496","10.1021/acscatal.0c01365","","x-ray","0.71069","MoKα","","0.0304","0.0273","","","0.0581","0.0589","","","","","","1.147","","","","has coordinates,has disorder","257021","2020-10-21","18:00:00",""
"4517773","10.5631","0.0003","10.5631","0.0003","34.9612","0.0011","90","","90","","90","","3900.9","0.2","170","2","170","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20 H18 Br2 Fe N2 O2 -","- C20 H18 Br2 Fe N2 O2 -","- C160 H144 Br16 Fe8 N16 O16 -","8","1","","Liu, Lei; Song, Hong; Liu, Yan-Hua; Wu, Le-Song; Shi, Bing-Feng","Achiral CpxIr(III)/Chiral Carboxylic Acid Catalyzed Enantioselective C‒H Amidation of Ferrocenes under Mild Conditions","ACS Catalysis","2020","10","13","7117","7122","10.1021/acscatal.0c02049","","","0.71073","MoKα","","0.0458","0.038","","","0.0797","0.083","","","","","","1.031","","","","has coordinates","257004","2020-10-21","18:00:00",""
"4518093","18.048","0.008","18.048","0.008","18.684","0.008","90","","90","","90","","6086","5","153","2","153","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C53 H76 Cl2 F6 Mn N4 O9 S2 -","- C53 H76 Cl2 F6 Mn N4 O9 S2 -","- C212 H304 Cl8 F24 Mn4 N16 O36 S8 -","4","0.5","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.0562","0.0512","","","0.1407","0.1469","","","","","","1.067","","","","has coordinates","256829","2020-10-21","18:00:00",""
"4518094","15.2678","0.0016","15.2678","0.0016","17.167","0.002","90","","90","","90","","4001.7","0.8","298","2","298","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C36 H40 F6 Mn N4 O8 S2 -","- C36 H40 F6 Mn N4 O8 S2 -","- C144 H160 F24 Mn4 N16 O32 S8 -","4","0.5","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.1302","0.0491","","","0.0815","0.0989","","","","","","1.004","","","","has coordinates","256830","2020-10-21","18:00:00",""
"4518200","12.9396","0.0011","12.9396","0.0011","35.996","0.004","90","","90","","90","","6026.9","1","125","2","125","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Ti(NtBu)ind2py2","","","- C30 H31 N5 Ti -","- C30 H31 N5 Ti -","- C240 H248 N40 Ti8 -","8","1","","See, Xin Yi; Wen, Xuelan; Wheeler, T. Alexander; Klein, Channing K.; Goodpaster, Jason D.; Reiner, Benjamin R.; Tonks, Ian A.","Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis","ACS Catalysis","2020","10","22","13504","13517","10.1021/acscatal.0c03939","","","0.71073","MoKα","","0.0266","0.0237","","","0.0599","0.0617","","","","","","1.071","","","","has coordinates","259500","2020-12-04","02:11:41",""
"4518765","18.9333","0.0005","18.9333","0.0005","13.1408","0.0005","90","","90","","90","","4710.6","0.3","193","2","193","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C14 H27 Ag F6 N3 O4 S2 -","- C14 H27 Ag F6 N3 O4 S2 -","- C112 H216 Ag8 F48 N24 O32 S16 -","8","1","","Zou, Chuncheng; Yang, Lei; Zhang, Lei; Liu, Chengyu; Ma, Yueyue; Song, Gonghua; Liu, Zhen; Cheng, Ruihua; Ye, Jinxing","Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex","ACS Catalysis","2021","","","6865","6871","10.1021/acscatal.1c01033","","","0.71073","MoKα","","0.0744","0.0655","","","0.1931","0.2065","","","","","","1.079","","","","has coordinates,has disorder","265725","2021-06-03","19:12:01",""
"6000481","9.864","","9.864","","30.353","","90","","90","","90","","2953.3","","","","","","","","","","","","","7","P 43 21 2","","","","","","- C4 H8 F4 Fe5 N4 O29 P7 -","","","","","","Choudhury, A.; Natarajan, S.","A three-dimensional iron(III) phosphate, [C2N2H10](2)[Fe5F4(PO4)(HPO4)(6)]","Journal of Solid State Chemistry","2000","154","","507","513","10.1006/jssc.2000.8871","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000106","15.488","0.002","15.488","0.002","58.128","0.011","90","","90","","90","","13944","4","208","2","208","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C58.5 H53 Br4 Cl9 N2 Ni2 P4 -","- C58.5 H53 Br4 Cl9 N2 Ni2 P4 -","- C468 H424 Br32 Cl72 N16 Ni16 P32 -","8","1","","Majoumo-Mbe, Félicité; Lönnecke, Peter; Novikova, Elena V.; Belov, Gennadiy P.; Hey-Hawkins, Evamarie","Oligodentate P,N ligands: N,N,N',N'-tetrakis(diphenylphosphanyl)-1,3-diaminobenzene complexes of rhodium, nickel and palladium.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3326","3330","10.1039/b508537c","","","0.71073","MoKα","","0.1541","0.1071","","","0.2411","0.2641","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7001063","17.6716","0.001","17.6716","0.001","21.525","0.003","90","","90","","90","","6721.9","1.1","148","2","148","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C21 H48 N6 Ni O3 -","- C21 H48 N6 Ni O3 -","- C168 H384 N48 Ni8 O24 -","8","1","","Powell-Jia, Darla; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Borovik, A. S.","A structure and reactivity analysis of monomeric Ni(ii)‒hydroxo complexes prepared from water","Dalton Transactions","2009","","16","2986","2992","10.1039/b820209e","","","0.71073","MoKα","","0.1142","0.0996","","","0.3029","0.3248","","","","","","1.471","","","","has coordinates","179688","2020-10-21","18:00:00",""
"7001072","22.135","0.003","22.135","0.003","15.515","0.003","90","","90","","90","","7602","2","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H68 Br4 O2 P4 Pd4 -","- C76 H68 Br4 O2 P4 Pd4 -","- C304 H272 Br16 O8 P16 Pd16 -","4","0.5","","Koshevoy, Igor O.; Gutierrez-Puebla, Enrique; Lahuerta, Pascual; Monge, Angeles; Ubeda, M.Angeles; Sanaú, Mercedes","Isolation of enantiomerically pure organometallic palladium compounds: synthesis of the triangles prepared from enantiopure [cis-Pd2(C6H4PPh2)2(NCCH3)4]2+","Dalton Transactions","2009","","16","2993","2998","10.1039/b816803b","","","0.71073","MoKα","","0.0899","0.0758","","","0.1883","0.202","","","","","","1.192","","","","has coordinates","179688","2020-10-21","18:00:00",""
"7001106","10.7303","0.0001","10.7303","0.0001","41.1772","0.0007","90","","90","","90","","4741.12","0.1","296","2","296","2","","","","","","","synthesized","6","P 43 21 2","P 4nw 2abw","96","","","","- C48 H52 Cu Fe2 N6 O6 -","- C48 H49 Cu Fe2 N6 O6 -","- C192 H196 Cu4 Fe8 N24 O24 -","4","0.5","","Sahoo, Subash Chandra; Ray, Manabendra","Formation of a narrow chiral cavity in bis-copper(ii) complexes of ferrocenylmethyl-l-tyrosine and its interaction with achiral guests","Dalton Transactions","2009","","17","3230","3236","10.1039/b819915a","","","0.71073","MoKα","","0.0511","0.0347","","","0.0702","0.0766","","","","","","1.012","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001542","15.8001","0.0001","15.8001","0.0001","35.7434","0.0004","90","","90","","90","","8923.1","0.13","150","2","150","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C49 H47 Cl2 N2 O3.5 P Ru -","- C49 H47 Cl2 N2 O3.5 P Ru -","- C392 H376 Cl16 N16 O28 P8 Ru8 -","8","1","","Seubert, Christoph K.; Sun, Yu; Thiel, Werner R.","A facile access to a novel bidentate enantiomerically pure P,N-donor ligand","Dalton Transactions","2009","","25","4971","4977","10.1039/b822144h","","","1.54184","CuKα","","0.0452","0.0405","","","0.0989","0.1005","","","","","","1.104","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7001665","14.0812","0.0001","14.0812","0.0001","12.9372","0.0002","90","","90","","90","","2565.19","0.05","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C3 H12 Cu N7 O3 S3 -","- C3 H12 Cu N7 O3 S3 -","- C24 H96 Cu8 N56 O24 S24 -","8","1","","Bowmaker, Graham A.; Hanna, John V.; Skelton, Brian W.; White, Allan H.","Control of reversible ligand insertion via supramolecular interactions in the solid state","Dalton Transactions","2009","","28","5447","5449","10.1039/b909055j","","","0.71073","MoKα","","0.0455","0.0328","","","0.0853","0.0873","","","","","","1.121","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7002772","11.624","0.002","11.624","0.002","30.72","0.008","90","","90","","90","","4150.8","1.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H14 Cu N4 O5 -","- C26 H14 Cu N4 O5 -","- C208 H112 Cu8 N32 O40 -","8","1","","Han, Zheng-Bo; Ji, Jian-Wei; An, Hai-Yan; Zhang, Wei; Han, Guang-Xi; Zhang, Guo-Xin; Yang, Li-Guo","Two 3D chiral coordination polymers with 4-connected 66 topological net: synthesis, structure and magnetic properties","Dalton Transactions","2009","","44","9807","9811","10.1039/b909083e","","","0.71073","MoKα","","0.0631","0.048","","","0.1091","0.1193","","","","","","1.046","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7002773","11.6004","0.0013","11.6004","0.0013","31.419","0.005","90","","90","","90","","4228","0.9","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H14 Co N4 O5 -","- C26 H14 Co N4 O5 -","- C208 H112 Co8 N32 O40 -","8","1","","Han, Zheng-Bo; Ji, Jian-Wei; An, Hai-Yan; Zhang, Wei; Han, Guang-Xi; Zhang, Guo-Xin; Yang, Li-Guo","Two 3D chiral coordination polymers with 4-connected 66 topological net: synthesis, structure and magnetic properties","Dalton Transactions","2009","","44","9807","9811","10.1039/b909083e","","","0.71073","MoKα","","0.0493","0.037","","","0.0786","0.0857","","","","","","1.051","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7005654","10.1405","0.0005","10.1405","0.0005","11.9784","0.0007","90","","90","","90","","1231.74","0.11","213","2","213","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Copper(i) Iodide 2:1 Complex with 4,4'-Bipyridazine","Copper(I) Iodide 2:1 Complex with 4,4'-Bipyridazine","","- C8 H6 Cu2 I2 N4 -","- C8 H6 Cu2 I2 N4 -","- C32 H24 Cu8 I8 N16 -","4","0.5","","Konstantin V. Domasevitch; Il'ya A. Gural'skiy; Pavlo V. Solntsev; Eduard B. Rusanov; Harald Krautscheid; Judith A. K. Howard; Alexander N. Chernega","4,4'-Bipyridazine: a new twist for the synthesis of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2007","","29","3140","3148","10.1039/b703911e","","","0.71073","MoKα","","0.013","0.0117","","","0.0238","0.024","","","","","","0.966","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7006187","16.1552","0.0003","16.1552","0.0003","50.7709","0.0018","90","","90","","90","","13250.7","0.6","160","2","160","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C100 H222 N8 O37 Ti2 W10 -","- C100 H222 N8 O37 Ti2 W10 -","- C400 H888 N32 O148 Ti8 W40 -","4","0.5","","Errington, R. John; Petkar, Sagar S.; Middleton, Paul S.; McFarlane, William; Clegg, William; Coxall, Robert A.; Harrington, Ross W.","Non-aqueous synthetic methodology for TiW(5) polyoxometalates: protonolysis of [(MeO)TiW(5)O(18)](3-) with alcohols, water and phenols.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5211","5222","10.1039/b709732h","","","0.71073","MoKα","","0.0481","0.0409","","","0.0826","0.0853","","","","","","1.243","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006344","11.0763","0.0002","11.0763","0.0002","27.4307","0.0005","90","","90","","90","","3365.32","0.11","150","1","150","1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C12 H32 Cl4 Cu N8 Ni O28 -","- C12 H32 Cl4 Cu N8 Ni O28 -","- C48 H128 Cl16 Cu4 N32 Ni4 O112 -","4","0.5","","Ismayilov, Rayyat H.; Wang, Wen-Zhen; Lee, Gene-Hsiang; Peng, Shie-Ming","One-, two- and three-dimensional Cu(II) complexes built via new oligopyrazinediamine ligands: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2006","","3","478","491","10.1039/b507485a","","","0.71073","MoKα","","0.0603","0.0444","","","0.1121","0.1201","","","","","","1.014","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006708","12.981","0.005","12.981","0.005","36.183","0.005","90","","90","","90","","6097","3","173","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H34 Cl2 N8 S3 Ti2 -","- C20.5 H34 Cl2 N8 S3 Ti2 -","- C164 H272 Cl16 N64 S24 Ti16 -","8","1","","Hill, Anthony F.; Smith, Matthew K.","Dihydrobis(methimazolyl)borate and methimazolyl complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2006","","1","28","30","10.1039/b513251g","","","0.71069","MoKα","","0.0407","0.0315","","","0.0772","0.0828","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006814","10.8908","0.0017","10.8908","0.0017","22.327","0.005","90","","90","","90","","2648.2","0.8","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C14 H16 Mn N10 O0 S2 -","- C14 H16 Mn N10 S2 -","- C56 H64 Mn4 N40 S8 -","4","0.5","","Li, Mingxue; Sun, Qiaozhen; Bai, Yan; Duan, Chunying; Zhang, Bingguang; Meng, Qingjin","Chiral aggregation and spontaneous resolution of thiosemicarbazone metal complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2572","2578","10.1039/b514425f","","","0.71073","MoKα","","0.0548","0.052","","","0.1546","0.1569","","","","","","1.049","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006815","10.8203","0.001","10.8203","0.001","22.637","0.003","90","","90","","90","","2650.3","0.5","293","2","293","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C14 H21 B F4 N10 O2 S2 Zn -","- C14 H20.52 B F4 N10 O2.01 S2 Zn -","- C56 H82.08 B4 F16 N40 O8.04 S8 Zn4 -","4","0.5","","Li, Mingxue; Sun, Qiaozhen; Bai, Yan; Duan, Chunying; Zhang, Bingguang; Meng, Qingjin","Chiral aggregation and spontaneous resolution of thiosemicarbazone metal complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2572","2578","10.1039/b514425f","","","0.71073","MoKα","","0.1182","0.0674","","","0.1465","0.1598","","","","","","0.985","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006816","10.84","0.002","10.84","0.002","22.079","0.006","90","","90","","90","","2594.4","1","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C15 H19 N10 O0.5 S2 Zn -","- C15 H19.12 N10 O0.52 S2 Zn -","- C60 H76.48 N40 O2.08 S8 Zn4 -","4","0.5","","Li, Mingxue; Sun, Qiaozhen; Bai, Yan; Duan, Chunying; Zhang, Bingguang; Meng, Qingjin","Chiral aggregation and spontaneous resolution of thiosemicarbazone metal complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2572","2578","10.1039/b514425f","","","0.71073","MoKα","","0.044","0.0418","","","0.1183","0.1196","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006817","10.878","0.0011","10.878","0.0011","22.466","0.003","90","","90","","90","","2658.4","0.5","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C14 H22 Cl2 N10 Ni O10 S2 -","- C14 H21 Cl2 N10 Ni O10 S2 -","- C56 H84 Cl8 N40 Ni4 O40 S8 -","4","0.5","","Li, Mingxue; Sun, Qiaozhen; Bai, Yan; Duan, Chunying; Zhang, Bingguang; Meng, Qingjin","Chiral aggregation and spontaneous resolution of thiosemicarbazone metal complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2572","2578","10.1039/b514425f","","","0.71073","MoKα","","0.0777","0.0616","","","0.1499","0.1581","","","","","","1.011","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006840","22.8047","0.0008","22.8049","0.0008","40.898","0.0018","90","","90","","90","","21269.4","1.4","173","2","173","2","","","","","","","synthesis as described","6","P 43 21 2","P 4nw 2abw","96","","","","- C96 H152 K2 N8 O10 Si4 -","- C101.4 H136 K2 N8 O6 Si4 -","- C811.2 H1088 K16 N64 O48 Si32 -","8","1","","Gehrhus, Barbara; Hitchcock, Peter B.; Pongtavornpinyo, Ruti; Zhang, Lihong","Insights into the making of a stable silylene.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1847","1857","10.1039/b514666f","","x-ray","0.71073","MoKα","","0.1582","0.1224","","","0.3237","0.3508","","","","","","1.264","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7007153","11.4992","0.0003","11.4992","0.0003","12.7341","0.0006","90","","90","","90","","1683.85","0.1","110","2","110","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H6 Cu F6 N6 P -","- C12 H6 Cu F6 N6 P -","- C48 H24 Cu4 F24 N24 P4 -","4","0.5","","Shatruk, Mikhail; Chouai, Abdellatif; Dunbar, Kim R.","Influence of anions on the dimensionality of extended networks based on Cu I cations and 1,4,5,8,9,12-hexaazatriphenylene (HAT) ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2184","2191","10.1039/b600306k","","","0.71073","MoKα","","0.0658","0.0651","","","0.1877","0.1882","","","","","","1.232","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7008122","12.4558","0.0005","12.4558","0.0005","49.648","0.003","90","","90","","90","","7702.7","0.6","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C56 H84 Mo4 N8 S12 -","- C56 H84 Mo4 N8 S12 -","- C224 H336 Mo16 N32 S48 -","4","0.5","","Hogarth, Graeme; Richards, Idris","Regioselective and reversible carbon-nitrogen bond formation: synthesis, structure and reactivity of ureato-bridged complexes [Mo2(NAr)2(mu-X){mu-ArNC(O)NAr}(S2CNR2)2](Ar = Ph, p-tol; X = S, NAr; R = Me, Et, Pr).","Dalton transactions (Cambridge, England : 2003)","2005","","4","760","773","10.1039/b417234p","","","0.71073","MoKα","","0.0625","0.0472","","","0.1","0.1057","","","","","","1.092","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7008207","14.867","0.0003","14.867","0.0003","33.9336","0.0012","90","","90","","90","","7500.3","0.3","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C36 H52 Ce2 I2 -","- C36 H52 Ce2 I2 -","- C288 H416 Ce16 I16 -","8","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuery, Pierre; Ephritikhine, Michel","The distinct affinity of cyclopentadienyl ligands towards trivalent uranium over lanthanide ions. Evidence for cooperative ligation and back-bonding in the actinide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1263","1272","10.1039/b419088b","","","0.71073","MoKα","","0.0582","0.0418","","","0.0753","0.0814","","","","","","1.047","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008379","18.1852","0.0011","18.1852","0.0011","48.087","0.003","90","","90","","90","","15902.4","1.7","120","0.1","120","0.1","","","","","","","synthesis as described","7","P 43 21 2","P 4nw 2abw","96","tetrakis((mu!3$-Sulfido)-(1,2-bis(diphenylarsino)ethane)- platinum)-zinc(ii) bis(tetraphenylborate)","tetrakis((μ~3~-Sulfido)-(1,2-bis(diphenylarsino)ethane)-platinum)-zinc(ii) bis(tetraphenylborate)","","- C152 H136 As8 B2 Pt4 S4 Zn -","- C152 H136 As8 B2 Pt4 S4 Zn -","- C608 H544 As32 B8 Pt16 S16 Zn4 -","4","0.5","","Novio, Fernando; Mas-Ballesté, Rubén; Gallardo, Iluminada; González-Duarte, Pilar; Lledós, Agustí; Vila, Neus","Influence of the terminal ligands on the redox properties of the {Pt2(mu-S)2} core in [Pt2(Ph2X(CH2)2XPh2)2(mu-S)2] (X = P or As) complexes and on their reactivity towards metal centres, protic acids and organic electrophiles.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2742","2753","10.1039/b502196k","","x-ray","0.71073","MoKα","","0.0613","0.0436","","","0.1009","0.1088","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009159","19.6398","","19.6398","","31.8342","0.0004","90","","90","","90","","12279.1","0.15","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H12 In10 N S18 -","- C4 H12 In10 N S18 -","- C32 H96 In80 N8 S144 -","8","1","","Cahill, Christopher L.; Parise, J. B.","On the formation of framework indium sulfides","Journal of the Chemical Society, Dalton Transactions","2000","","9","1475","","10.1039/a909005c","","","0.71073","MoKα","","0.0655","0.0454","","0.074","0.071","","","","1.015","1.131","1.131","","","","","has coordinates","179795","2020-10-21","18:00:00",""
"7009268","14.6982","0.0001","14.6793","0.0001","28.3219","0.0003","90","","90","","90","","6110.71","0.09","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H68 Cu4 N10 S8 W -","- C44 H68 Cu4 N10 S8 W -","- C176 H272 Cu16 N40 S32 W4 -","4","0.5","","Zhang, Chi; Song, Yinglin; Jin, Guocheng; Fang, Guangyu; Wang, Yuxiao; Raj, S. Shanmuga Sundara; Fun, Hoong-Kun; Xin, Xinquan","Two novel anion cluster compounds with a planar 'open' structure [Et4N]2[MS4Cu4(SCN)4(2-pic)4] (M = W, Mo; 2-pic = 2-methylpyridine): synthesis, structural characterization, nonlinear response and large optical limiting properties","Journal of the Chemical Society, Dalton Transactions","2000","","8","1317","","10.1039/a909656f","","","0.71073","MoKα","","0.0213","0.0202","","","0.0519","0.0524","","","","","","1.14","","","","has coordinates,has disorder","179796","2020-10-21","18:00:00",""
"7009269","14.6884","0.0003","14.6881","0.0002","28.3778","0.0006","90","","90","","90","","6122.4","0.2","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H68 Cu4 Mo N10 S8 -","- C44 H68 Cu4 Mo N10 S8 -","- C176 H272 Cu16 Mo4 N40 S32 -","4","0.5","","Zhang, Chi; Song, Yinglin; Jin, Guocheng; Fang, Guangyu; Wang, Yuxiao; Raj, S. Shanmuga Sundara; Fun, Hoong-Kun; Xin, Xinquan","Two novel anion cluster compounds with a planar 'open' structure [Et4N]2[MS4Cu4(SCN)4(2-pic)4] (M = W, Mo; 2-pic = 2-methylpyridine): synthesis, structural characterization, nonlinear response and large optical limiting properties","Journal of the Chemical Society, Dalton Transactions","2000","","8","1317","","10.1039/a909656f","","","0.71073","MoKα","","0.0702","0.0452","","","0.0848","0.0958","","","","","","1.076","","","","has coordinates,has disorder","179796","2020-10-21","18:00:00",""
"7009412","11.527","0.001","11.527","0.001","25.481","0.001","90","","90","","90","","3385.7","0.4","123","2","123","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H24 Li N O -","- C19 H24 Li N O -","- C152 H192 Li8 N8 O8 -","8","1","","Andrews, Philip C.; Duggan, Peter J.; Fallon, Gary D.; McCarthy, Tom D.; Peatt, Anna C.","Solid state structures of the chiral lithium amide complexes (S )-[(Ph(Me)CH)(PhCH2)NLi·thf]2 and (R)-[(Ph(Me)CH)(PhCH2)NLi·pmdta] †","Journal of the Chemical Society, Dalton Transactions","2000","","12","1937","","10.1039/b000747l","","","0.71073","MoKα","","0.0981","0.0682","","","0.1178","0.127","","","","","","1.082","","","","has coordinates,has disorder","179798","2020-10-21","18:00:00",""
"7010440","11.4366","0.0001","11.4366","0.0001","27.5591","0.0001","90","","90","","90","","3604.62","0.05","293","2","293","2","","","","","","","-","7","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Au Cl N O2 P -","- C16 H18 Au Cl N O2 P -","- C128 H144 Au8 Cl8 N8 O16 P8 -","8","1","","Slawin, Alexandra M. Z.; Woollins, J. Derek; Zhang, Qingzhi","Novel chiral phosphine ligands and complexes from amino acid esters","Journal of the Chemical Society, Dalton Transactions","2001","","5","621","","10.1039/b009074n","","","0.71073","MoKα","","0.0474","0.0346","","0.0755","0.0655","","","","0.89","0.919","0.919","","","","","has coordinates","179808","2020-10-21","18:00:00",""
"7012176","17.2236","0.0014","17.2236","0.0014","16.9834","0.0012","90","","90","","90","","5038.2","0.7","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C24.25 H26.5 Cl0.5 Fe N2 O4 -","- C24.25 H26 Cl0.5 Fe N2 O4 -","- C194 H208 Cl4 Fe8 N16 O32 -","8","1","","van Staveren, Dave R.; Weyhermüller, Thomas; Metzler-Nolte, Nils","Organometallic β-turn mimetics. A structural and spectroscopic study of inter-strand hydrogen bonding in ferrocene and cobaltocenium conjugates of amino acids and dipeptides","Dalton Transactions","2003","","2","210","","10.1039/b208363a","","","0.71073","MoKα","","0.0972","0.0703","","0.2124","0.1965","","","","1.079","1.182","1.182","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012920","12.0134","0.0003","12.0134","0.0003","11.2821","0.0003","90","","90","","90","","1628.25","0.07","223","2","223","2","","","","","","","synthesis as described","5","P 43 21 2","P 4nw 2abw","96","[Mo(CO)4(NC5H10)2]","","","- C14 H20 Mo N2 O4 -","- C14 H20 Mo N2 O4 -","- C56 H80 Mo4 N8 O16 -","4","0.5","","Grundy, Joanna; Coles, Martyn P.; Hitchcock, Peter B.","Synthesis and coordination chemistry of neutral phospha(iii)guanidines. Formation of 1-aza-3-phospha-4-metallacyclobut-1-ene rings at group 6 metalsElectronic supplementary information (ESI) available: an ORTEP representation and bond lengths and angles for 3a; crystal structure and refinement data, bond lengths and angles and an ORTEP representation of the molecular structure of Mo(CO)4(pip)2. See http://www.rsc.org/suppdata/dt/b3/b302554c/","Dalton Transactions","2003","","12","2573","","10.1039/b302554c","","x-ray","0.71073","MoKα","","0.0285","0.0251","","","0.0567","0.058","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013464","17.81","0.08","17.81","0.08","14.15","0.06","90","","90","","90","","4488","3","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C44 H30 Cu F6 N6 O11 S2 -","- C44 H30 Cu F6 N6 O11 S2 -","- C176 H120 Cu4 F24 N24 O44 S8 -","4","0.5","","Licchelli, Maurizio; Biroli, Alessio Orbelli; Poggi, Antonio; Sacchi, Donatella; Sangermani, Corrado; Zema, Michele","Excimer emission induced by metal ion coordination in 1,8-naphthalimide-tethered iminopyridine ligands","Dalton Transactions","2003","","23","4537","","10.1039/b308439f","","","0.71073","MoKα","","0.3323","0.1677","","","0.4202","0.5012","","","","","","1.289","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014038","15.107","0.001","15.107","0.0019","24.052","0.003","90","","90","","90","","5489.2","1","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Bis(1,2,3,4,5-pentamethylcyclopentadienyl)barium(II) diglyme","","- C26 H44 Ba O3 -","- C26 H44 Ba O3 -","- C208 H352 Ba8 O24 -","8","1","","Hatanpää, Timo; Vehkamäki, Marko; Mutikainen, Ilpo; Kansikas, Jarno; Ritala, Mikko; Leskelä, Markku","Synthesis and characterisation of cyclopentadienyl complexes of barium: precursors for atomic layer deposition of BaTiO3.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1181","1188","10.1039/b400235k","","","0.71073","MoKα","","0.0969","0.0482","","","0.0708","0.0809","","","","","","1.012","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014098","9.416","0.005","9.416","0.005","32.226","0.005","90","0.005","90","0.005","90","0.005","2857","2","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","Ho(HBPz)3(TRP)","","","- C12.5 H12.5 B Ho0.5 N6 O -","- C12.5 H12.5 B Ho0.5 N6 O -","- C100 H100 B8 Ho4 N48 O8 -","8","1","","Caneschi, Andrea; Dei, Andrea; Gatteschi, Dante; Poussereau, Sandrine; Sorace, Lorenzo","Antiferromagnetic coupling between rare earth ions and semiquinones in a series of 1:1 complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1048","1055","10.1039/b401144a","","","0.71069","MoKα","","0.0504","0.0295","","","0.0669","0.0885","","","","","","1.312","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014199","15.011","0.007","15.011","0.007","25.622","0.005","90","","90","","90","","5773","4","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C232 H200 Cl8 N8 O4 P16 Pd8 -","- C58 H48 Cl2 N2 O P4 Pd2 -","- C232 H192 Cl8 N8 O4 P16 Pd8 -","4","0.5","","Besenyei, Gábor; Párkányi, László; Szalontai, Gábor; Holly, Sándor; Pápai, Imre; Keresztury, Gábor; Nagy, Andrea","N-benzoylimido complexes of palladium. Synthesis, structural characterisation and structure-reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2041","2050","10.1039/b403200d","","","0.7107","MoKα","","0.0926","0.044","","","0.0898","0.1036","","","","","","0.904","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7015436","16.175","0.002","16.175","0.002","41.56","0.003","90","","90","","90","","10873","2","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C102 H140 Co3 N12 O14 -","- C102 H140 Co3 N12 O14 -","- C408 H560 Co12 N48 O56 -","4","0.5","","Peng, Xiaohong; Tang, Xiaoliang; Qin, Wenwu; Dou, Wei; Guo, Yanling; Zheng, Jiangrong; Liu, Weisheng; Wang, Daqi","Aroylhydrazone derivative as fluorescent sensor for highly selective recognition of Zn(2+) ions: syntheses, characterization, crystal structures and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5271","5277","10.1039/c0dt01590c","","","0.71073","MoKα","","0.1197","0.0785","","","0.1913","0.2132","","","","","","0.979","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015573","21.106","0.005","21.106","0.005","8.547","0.003","90","","90","","90","","3807.4","1.8","150","2","150","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C36 H40 Cu F6 N4 O8 S2 -","- C36 H40 Cu F6 N4 O8 S2 -","- C144 H160 Cu4 F24 N16 O32 S8 -","4","0.5","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.6889","Synchrotron","","0.0435","0.0413","","","0.094","0.0958","","","","","","1.139","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015781","11.533","0.004","11.533","0.004","22.823","0.007","90","","90","","90","","3035.7","1.8","223","2","223","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H40 Br2 N4 Ni -","- C30 H40 Br2 N4 Ni -","- C120 H160 Br8 N16 Ni4 -","4","0.5","","Liu, Zhi-hong; Xu, Yan-Chao; Xie, Ling-Zhi; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Controlled synthesis of nickel(II) dihalides bearing two different or identical N-heterocyclic carbene ligands and the influence of carbene ligands on their structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4697","4706","10.1039/c1dt10077g","","","0.71075","MoKα","","0.0944","0.0868","","","0.2533","0.2654","","","","","","1.124","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7016306","9.6434","0.001","9.6434","0.001","34.84","0.005","90","","90","","90","","3240","0.7","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H20 Cl N3 Pd -","- C16 H20 Cl N3 Pd -","- C128 H160 Cl8 N24 Pd8 -","8","1","","Ren, Peng; Vechorkin, Oleg; Csok, Zsolt; Salihu, Isuf; Scopelliti, Rosario; Hu, Xile","Pd, Pt, and Ru complexes of a pincer bis(amino)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8906","8911","10.1039/c1dt10195a","","","0.71073","MoKα","","0.0364","0.0313","","","0.0523","0.0536","","","","","","1.281","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016308","9.63408","0.0001","9.63408","0.0001","34.6217","0.0006","90","","90","","90","","3213.43","0.07","140","2","140","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H20 Cl N3 Pt -","- C16 H20 Cl N3 Pt -","- C128 H160 Cl8 N24 Pt8 -","8","1","","Ren, Peng; Vechorkin, Oleg; Csok, Zsolt; Salihu, Isuf; Scopelliti, Rosario; Hu, Xile","Pd, Pt, and Ru complexes of a pincer bis(amino)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8906","8911","10.1039/c1dt10195a","","","0.71073","MoKα","","0.0222","0.0177","","","0.0313","0.0318","","","","","","0.971","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016367","14.309","0.002","14.309","0.002","16.961","0.003","90","","90","","90","","3472.7","0.9","291","2","291","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H17 Cl N2 Pd -","- C19 H17 Cl N2 Pd -","- C152 H136 Cl8 N16 Pd8 -","8","1","","Wang, Tao; Hao, Xin-Qi; Zhang, Xiao-Xue; Gong, Jun-Fang; Song, Mao-Ping","Synthesis, structure and catalytic properties of CNN pincer palladium(ii) and ruthenium(ii) complexes with N-substituted-2-aminomethyl-6-phenylpyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8964","8976","10.1039/c1dt10331h","","","0.71073","MoKα","","0.0584","0.0482","","","0.1038","0.1095","","","","","","1.107","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016411","9.8163","0.0004","9.8163","0.0004","28.0099","0.0015","90","","90","","90","","2699","0.2","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C11 H11 Co N5 O7 -","- C11 H11 Co N5 O7 -","- C88 H88 Co8 N40 O56 -","8","1","","Yang, En-Cui; Liu, Zhong-Yi; Liu, Tian-Yu; Li, Li-Ly; Zhao, Xiao-Jun","Co-ligand-directed structural and magnetic diversities in an anisotropic Co(II)-triazolate system.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8132","8139","10.1039/c1dt10394f","","","0.71073","MoKα","","0.0192","0.0186","","","0.0477","0.0479","","","","","","1.005","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7017969","12.4575","0.001","12.4575","0.001","43.426","0.007","90","","90","","90","","6739.3","1.3","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H44 N2 Pb Si -","- C36 H44 N2 Pb Si -","- C288 H352 N16 Pb8 Si8 -","8","1","","Yang, Dongming; Guo, Jianmei; Wu, Haishun; Ding, Yuqiang; Zheng, Wenjun","Synthesis and structural characterization of two-coordinate low-valent 14-group metal complexes bearing bulky bis(amido)silane ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2187","2194","10.1039/c1dt11774b","","","0.71073","MoKα","","0.0946","0.0618","","","0.1129","0.1233","","","","","","1.063","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7019027","13.3454","0.0002","13.3454","0.0002","26.6492","0.0005","90","","90","","90","","4746.21","0.13","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C48 H41 Cl4 Fe2 N7 S4 -","- C48 H41 Cl4 Fe2 N7 S4 -","- C192 H164 Cl16 Fe8 N28 S16 -","4","0.5","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","0.71073","MoKα","","0.081","0.046","","","0.0791","0.0874","","","","","","0.983","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019859","13.6503","0.0011","13.6503","0.0011","16.0642","0.0019","90","","90","","90","","2993.3","0.5","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C29 H33 Br Cl2 N2 Ni -","- C29 H33 Br Cl2 N2 Ni -","- C116 H132 Br4 Cl8 N8 Ni4 -","4","0.5","","Zhang, Jingshun; Gao, Wei; Lang, Xiaomei; Wu, Qiaolin; Zhang, Lei; Mu, Ying","Ni(ii) and Fe(ii) complexes based on bis(imino)aryl pincer ligands: synthesis, structural characterization and catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9639","9645","10.1039/c2dt30778b","","","0.71073","MoKα","","0.0803","0.0585","","","0.1676","0.1802","","","","","","0.984","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7022550","25.502","0.0018","25.502","0.0018","50.469","0.004","90","","90","","90","","32823","4","90","2","90","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","TMOF-2c","","","- C76.5 H60.19 N3.5 O16.5 Zn4 -","- C76.5 H60.2025 N3.5 O16.5 Zn4 -","- C1224 H963.24 N56 O264 Zn64 -","16","2","","Crane, Angela K.; Patrick, Brian O.; MacLachlan, Mark J.","New metal-organic frameworks from triptycene: structural diversity from bulky bridges.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8026","8033","10.1039/c3dt00079f","","","1.54178","CuKα","","0.0894","0.0826","","","0.2283","0.2368","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023961","26.3673","0.0005","26.3673","0.0005","15.2955","0.0004","90","","90","","90","","10634","0.4","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C58 H54 Cu N4 P Pt -","- C58 H54 Cu N4 P Pt -","- C464 H432 Cu8 N32 P8 Pt8 -","8","1","","Batcup, Rhys; Chiu, Frederick Sin Nang; Annibale, Vincent T.; Huh, Jung-Eun Ustina; Tan, Runyu; Song, Datong","Selective one-pot syntheses of Pt(II)-Cu(I) heterobimetallic complexes of 4,5-diazafluorenide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16343","16350","10.1039/c3dt52135d","","","0.71073","MoKα","","0.0364","0.0293","","","0.0656","0.0677","","","","","","1.01","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7024744","10.0092","0.0004","10.0092","0.0004","28.225","0.002","90","","90","","90","","2827.7","0.3","173","1","173","1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H42 N2 O4 Ti -","- C28 H42 N2 O4 Ti -","- C112 H168 N8 O16 Ti4 -","4","0.5","","Manna, Cesar M.; Tshuva, Edit Y.","Markedly different cytotoxicity of the two enantiomers of C(2)-symmetrical Ti(IV) phenolato complexes; mechanistic implications.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1182","1184","10.1039/b920786b","","","0.71073","MoKα","","0.094","0.0879","","","0.2533","0.2614","","","","","","1.082","","","","has coordinates","179952","2020-10-21","18:00:00",""
"7025012","13.983","0.002","13.983","0.002","33.631","0.007","90","","90","","90","","6575.7","1.9","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C68 H110 N6 Yb -","- C62 H96 N6 Yb -","- C248 H384 N24 Yb4 -","4","0.5","","Heitmann, Dennis; Jones, Cameron; Mills, David P.; Stasch, Andreas","Low coordinate lanthanide(II) complexes supported by bulky guanidinato and amidinato ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1877","1882","10.1039/b924367d","","","0.71073","MoKα","","0.0451","0.0359","","","0.0939","0.0985","","","","","","1.077","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7026388","13.1953","0.0003","13.1953","0.0003","50.6073","0.0018","90","","90","","90","","8811.5","0.4","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C42 H44 Cl2 Cu N6 O9 -","- C42 H42 Cl2 Cu N6 O9 -","- C336 H336 Cl16 Cu8 N48 O72 -","8","1","","Min, Kil Sik; Park, A. Hyun; Shin, Jong Won; Rowthu, Sankara Rao; Kim, Seog K.; Ryoo, Jae Jeong","Synthesis and characterization of enantiopure copper(II) complexes using chiral bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8741","8747","10.1039/c0dt00380h","","","0.71073","MoKα","","0.1621","0.0774","","","0.1803","0.2236","","","","","","1.028","","","","has coordinates","179969","2020-10-21","18:00:00",""
"7026396","17.4938","0.0004","17.4938","0.0004","13.2142","0.0005","90","","90","","90","","4044","0.2","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C28 H36 Cd N6 O18 Sr2 -","- C28 H36 Cd N6 O18 Sr2 -","- C112 H144 Cd4 N24 O72 Sr8 -","4","0.5","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","Syntheses, topological analyses, and NLO-active properties of new Cd(II)/M(II) (M = Ca, Sr) metal-organic frameworks based on R-isophthalic acids (R = H, OH, and t-Bu).","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10719","10728","10.1039/c0dt00390e","","","0.71073","MoKα","","0.0334","0.0322","","","0.0884","0.0895","","","","","","1.042","","","","has coordinates","179969","2020-10-21","18:00:00",""
"7026516","16.8698","0.0007","16.8698","0.0007","40.0183","0.0012","90","","90","","90","","11388.8","0.8","100","2","100","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C94 H82 Cl5 Co4 N8 O27 P6 Sb5 -","- C94 H82 Cl5 Co4 N8 O27 P6 Sb5 -","- C376 H328 Cl20 Co16 N32 O108 P24 Sb20 -","4","0.5","","Ali, Shoaib; Muryn, Christopher A.; Tuna, Floriana; Winpenny, Richard E. P.","Synthesis and structural and magnetic characterisation of cobalt(ii) complexes of mixed phosphonate-antimonate ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9588","9597","10.1039/c0dt00482k","","","0.71073","MoKα","","0.1087","0.108","","","0.2119","0.2123","","","","","","1.292","","","","has coordinates","179971","2020-10-21","18:00:00",""
"7026741","11.5899","0.0002","11.5899","0.0002","42.4182","0.0008","90","","90","","90","","5697.86","0.18","200","","200","","","","","","","","local","7","P 43 21 2","P 4nw 2abw","96","","","","- C29 H41 Cl N O0.5 P Pd -","- C29 H41 Cl N O0.5 P Pd -","- C232 H328 Cl8 N8 O4 P8 Pd8 -","8","1","","Bulbrook, Michelle; Chu, Minghui; Deane, Karen; Doyle, Roy J.; Hinc, Justina; Peterson, Charlotte; Salem, Geoffrey; Thorman, Nadia; Willis, Anthony C.","Chiral Birch reduced tertiary phosphines: precursors to asymmetric 1,2-cyclohexenebis(tertiary phosphines).","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8878","8881","10.1039/c0dt00648c","","","0.71073","MoKα","","0.0446","0.0265","","0.0879","0.0684","0.0879","","","","","","0.8527","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026879","13.8132","0.0003","13.8132","0.0003","21.5907","0.0009","90","","90","","90","","4119.6","0.2","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","(S,Δ,R)-(Tol2Bob)Ti(BINOL)","(S,R,Δ)-(2,2'-Biphenyl-bis(4-p-tolyl-2,4-butanedionato))(1,1'-bi-2- naphtholato)titanium(IV)","","- C54 H40 O6 Ti -","- C54 H40 O6 Ti -","- C216 H160 O24 Ti4 -","4","0.5","","Kongprakaiwoot, Natcharee; Armstrong, Jack B.; Noll, Bruce C.; Brown, Seth N.","Optically active bis(β-diketonate) complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10105","10115","10.1039/c0dt00828a","","","0.71073","MoKα","","0.0443","0.0361","","","0.0939","0.1005","","","","","","1.01","","","","has coordinates","179974","2020-10-21","18:00:00",""
"7026888","9.2341","0.0004","9.2341","0.0004","27.181","0.0018","90","","90","","90","","2317.7","0.2","223","2","223","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C16 H42 N4 Zn3 -","- C16 H42 N4 Zn3 -","- C64 H168 N16 Zn12 -","4","0.5","","Javed, Saba; Hoffman, David M.","Synthesis of zinc trisubstituted hydrazido complexes and ortho-metalation of 4-(dimethylamino)pyridine.","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11439","11444","10.1039/c0dt00847h","","","0.71073","MoKα","","0.0281","0.0233","","","0.0571","0.0599","","","","","","1.015","","","","has coordinates,has disorder","179974","2020-10-21","18:00:00",""
"7027848","16.3084","0.0014","16.308","0.002","19.627","0.002","90","","90","","90","","5219.9","0.9","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C24.5 H21 Cl Cu F6 N6 P -","- C24.5 H21 Cl Cu F6 N6 P -","- C196 H168 Cl8 Cu8 F48 N48 P8 -","8","1","","Fleming, James S.; Mann, Karen L. V.; Couchman, Samantha M.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.","Double-helical dinuclear copper(I) and mononuclear copper(II) complexes of a compartmental tetradentate bridging ligand: crystal structures and spectroscopic properties","Journal of the Chemical Society, Dalton Transactions","1998","","12","2047","","10.1039/a802280a","","","0.71073","MoKα","","0.0746","0.0535","","0.1576","0.1421","","","","1.029","1.058","1.058","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029898","10.412","0.0005","10.412","0.0005","29.2952","0.0015","90","","90","","90","","3175.9","0.3","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C34 H48 Li N2 O -","- C34 H48 Li N2 O -","- C136 H192 Li4 N8 O4 -","4","0.5","","Janes, Trevor; Rawson, Jeremy M.; Song, Datong","Syntheses and structures of Li, Fe, and Mo derivatives of N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamine.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10640","10648","10.1039/c3dt51063h","","","0.71073","MoKα","","0.0823","0.0587","","","0.1633","0.1855","","","","","","1.016","","","","has coordinates,has disorder","180004","2020-10-21","18:00:00",""
"7033016","18.341","0.004","18.341","0.004","17.503","0.005","90","","90","","90","","5888","2","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H12 Co2 N16 O2 -","- C16 H12 Co2 N16 O2 -","- C128 H96 Co16 N128 O16 -","8","1","","Du, Li-Yun; Wang, Hui; Liu, Ge; Xie, Dong; Guo, Fu-Sheng; Hou, Lei; Wang, Yao-Yu","Structural diversity of five new bitriazole-based complexes: luminescence, sorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1110","1119","10.1039/c4dt03129f","","","0.71073","MoKα","","0.0537","0.0376","","","0.0879","0.0919","","","","","","0.965","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033811","18.9809","0.0012","18.9809","0.0012","17.5707","0.0012","90","","90","","90","","6330.3","0.7","100","2","100.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H29 Cu2 N3 O13 -","- C20 H29 Cu2 N3 O13 -","- C160 H232 Cu16 N24 O104 -","8","1","","Karmakar, Anirban; Oliver, Clive L.; Roy, Somnath; Öhrström, Lars","The synthesis, structure, topology and catalytic application of a novel cubane-based copper(ii) metal-organic framework derived from a flexible amido tripodal acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10156","10165","10.1039/c4dt03087g","","","0.71073","MoKα","","0.0775","0.0566","","","0.1588","0.1712","","","","","","1.047","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033996","14.9238","0.0007","14.9238","0.0007","23.7779","0.0011","90","","90","","90","","5295.8","0.4","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C50 H46 Cu4 N8 O11 -","- C50 H46 Cu4 N8 O11 -","- C200 H184 Cu16 N32 O44 -","4","0.5","","Pait, Moumita; Shatruk, Michael; Lengyel, Jeff; Gómez-Coca, Silvia; Bauzá, Antonio; Frontera, Antonio; Bertolasi, Valerio; Ray, Debashis","Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6107","6117","10.1039/c4dt03224a","","","0.71073","MoKα","","0.0626","0.0388","","","0.0954","0.1092","","","","","","0.842","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033997","14.7994","0.0006","14.7994","0.0006","23.9708","0.0014","90","","90","","90","","5250.1","0.4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C54 H56 Cu4 N6 O11 -","- C54 H56 Cu4 N6 O11 -","- C216 H224 Cu16 N24 O44 -","4","0.5","","Pait, Moumita; Shatruk, Michael; Lengyel, Jeff; Gómez-Coca, Silvia; Bauzá, Antonio; Frontera, Antonio; Bertolasi, Valerio; Ray, Debashis","Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6107","6117","10.1039/c4dt03224a","","","0.71073","MoKα","","0.0466","0.036","","","0.0859","0.0902","","","","","","1.065","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7036299","9.3648","0.0002","9.3648","0.0002","51.2257","0.0012","90","","90","","90","","4492.47","0.17","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C21 H32 N O P Sn -","- C21 H32 N O P Sn -","- C168 H256 N8 O8 P8 Sn8 -","8","1","","Del Águila-Sánchez, Miguel A; Navarro, Yolanda; García López, Jesús; Guedes, Guilherme P.; López Ortiz, Fernando","Synthesis of P-stereogenic diarylphosphinic amides by directed lithiation: transformation into tertiary phosphine oxides via methanolysis, aryne chemistry and complexation behaviour toward zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2008","2022","10.1039/c5dt02860d","","x-ray","1.54178","CuKα","","0.0535","0.0528","","","0.1369","0.1376","","","","","","1.047","","","","has coordinates","176069","2020-10-21","18:00:00",""
"7036461","9.5802","0.0003","9.5802","0.0003","52.123","0.002","90","","90","","90","","4783.9","0.3","103","2","103","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C22.5 H24 Cl3 N2 O P Pd -","- C22.5 H24 Cl3 N2 O P Pd -","- C180 H192 Cl24 N16 O8 P8 Pd8 -","8","1","","Jia, Yu-Xiang; Jonathan Chew, Renta; Li, Bin-Bin; Zhu, Pengcheng; Li, Yongxin; Pullarkat, Sumod A.; Soon Tan, Nguan; Leung, Pak-Hing","Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17557","17564","10.1039/c5dt02694f","","","0.71073","MoKα","","0.1083","0.078","","","0.1858","0.2137","","","","","","1.082","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036658","10.3161","0.0013","10.3161","0.0013","15.584","0.002","90","","90","","90","","1658.5","0.4","200","2","200","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(pyr)2Ni(C4F8)","","- C14 H10 F8 N2 Ni -","- C14 H10 F8 N2 Ni -","- C56 H40 F32 N8 Ni4 -","4","0.5","","Giffin, Kaitie A.; Korobkov, Ilia; Baker, R. Tom","Brønsted acid-promoted C-F bond activation in [P,S]-ligated neutral and anionic perfluoronickelacyclopentanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19587","19596","10.1039/c5dt02912k","","","0.71073","MoKα","","0.0523","0.0313","","","0.067","0.0747","","","","","","0.993","","","","has coordinates","171168","2020-10-21","18:00:00",""
"7039013","10.343","0.003","10.343","0.003","33.282","0.01","90","","90","","90","","3560.4","1.8","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","K5PDIMoI","","","- C39 H41 I Mo N3 P2 -","- C39 H41 I Mo N3 P2 -","- C156 H164 I4 Mo4 N12 P8 -","4","0.5","","Pal, Raja; Cherry, Brian R.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","Isolation of a bis(imino)pyridine molybdenum(i) iodide complex through controlled reduction and interconversion of its reaction products.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10024","10033","10.1039/c6dt00301j","","","0.71073","MoKα","","0.0769","0.0579","","","0.1377","0.1572","","","","","","1.134","","","","has coordinates","185389","2020-10-21","18:00:00",""
"7040058","14.4471","0.0002","14.4471","0.0002","69.8751","0.0012","90","","90","","90","","14584.2","0.4","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C70 H76 Au2 F12 N6 P4 -","- C70 H76 Au2 F12.006 N6 P4.001 -","- C560 H608 Au16 F96.048 N48 P32.008 -","8","1","","Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.","Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13347","13360","10.1039/c6dt02476a","","","1.54184","CuKα","","0.0838","0.0749","","","0.1874","0.1941","","","","","","1.098","","","","has coordinates,has disorder","186417","2020-10-21","18:00:00",""
"7040251","11.8528","0.0006","11.8528","0.0006","25.589","0.0012","90","","90","","90","","3595","0.3","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C19 H22 Cl N O Ru -","- C19 H22 Cl N O Ru -","- C152 H176 Cl8 N8 O8 Ru8 -","8","1","","Jia, Wei-Guo; Zhang, Tai; Xie, Dong; Xu, Qiu-Tong; Ling, Shuo; Zhang, Qing","Half-sandwich cycloruthenated complexes from aryloxazolines: synthesis, structures, and catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14230","14237","10.1039/c6dt02734b","","","0.71073","MoKα","","0.0493","0.0323","","","0.0663","0.0743","","","","","","1.036","","","","has coordinates","187123","2020-10-21","18:00:00",""
"7040436","19.165","0.005","19.165","0.006","18.967","0.004","90","","90","","90","","6967","3","298","2","298","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C33 H26 Cu2 Mn N10 O10 -","- C33 H26 Cu2 Mn N10 O10 -","- C264 H208 Cu16 Mn8 N80 O80 -","8","1","","Chakraborty, Anindita; Escuer, Albert; Ribas, Joan; Maji, Tapas Kumar","A discrete Cu cluster and a 3D Mn(II)-Cu(II) framework based on assembly of Mn2Cu4 clusters: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15523","15531","10.1039/c6dt03094g","","","0.71073","MoKα","","0.0478","0.0316","","","0.0645","0.0699","","","","","","1.039","","","","has coordinates,has disorder","188133","2020-10-21","18:00:00",""
"7041257","7.8274","0.0003","7.8274","0.0003","36.8134","0.0015","90","","90","","90","","2255.49","0.15","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C18 H10 Br4 Cd N8 O2 -","- C18 H10 Br4 Cd N8 O2 -","- C72 H40 Br16 Cd4 N32 O8 -","4","0.5","","Zhang, Shu-Hua; Wang, Ji-Ming; Zhang, Hai-Yang; Fan, Yi-Peng; Xiao, Yu","Highly efficient electrochemiluminescence based on 4-amino-1,2,4-triazole Schiff base two-dimensional Zn/Cd coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","410","419","10.1039/c6dt04059d","","","0.71073","MoKα","","0.0499","0.0399","","","0.0641","0.0674","","","","","","1.059","","","","has coordinates","191588","2020-10-21","18:00:00",""
"7042830","8.5949","0.0003","8.5949","0.0003","27.0385","0.0014","90","","90","","90","","1997.4","0.14","100","2","100.01","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H16 Br2 N4 O2 -","- C20 H16 Br2 N4 O2 -","- C80 H64 Br8 N16 O8 -","4","0.5","","Barry, Dawn; Hawes, Chris Samuel; Byrne, Joseph Peter; la Cour Poulsen, Bjørn; Ruether, Manuel; O'Brien, John E; Gunnlaugsson, Thorfinnur","A folded [2×2] metallo-supramolecular grid from a bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) ligand","Dalton Trans.","2017","","","","","10.1039/C7DT01533J","","","0.71073","MoKα","","0.0451","0.0344","","","0.0808","0.086","","","","","","1.058","","","","has coordinates","195840","2020-10-21","18:00:00",""
"7044380","12.6711","0.0001","12.6711","0.0001","42.8676","0.0005","90","","90","","90","","6882.68","0.11","150","0.2","150","0.2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C33 H57 N3 Na P -","- C33 H57 N3 Na P -","- C264 H456 N24 Na8 P8 -","8","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.","Desolvation and aggregation of sterically demanding alkali metal diarylphosphides","Dalton Trans.","2017","","","","","10.1039/C7DT02238G","","x-ray","1.54184","CuKα","","0.0452","0.0394","","","0.099","0.1035","","","","","","1.016","","","","has coordinates,has disorder","201546","2020-10-21","18:00:00",""
"7045310","10.5238","0.0002","10.5238","0.0002","35.4237","0.0007","90","","90","","90","","3923.19","0.13","180","2","180","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C40 H46 Al2 Eu N6 -","- C40 H46 Al2 Eu N6 -","- C160 H184 Al8 Eu4 N24 -","4","0.5","","García-Rodríguez, Raúl; Kopf, Sara; Wright, Dominic S.","Modifying the donor properties of tris(pyridyl)aluminates in lanthanide(ii) sandwich compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2232","2239","10.1039/c7dt04657j","","","1.54184","CuKα","","0.0616","0.0405","","","0.0702","0.0756","","","","","","1.01","","","","has coordinates","229787","2020-10-21","18:00:00",""
"7045532","7.9778","0.0004","7.9778","0.0004","17.3831","0.0015","90","","90","","90","","1106.35","0.12","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H10 Cl0 Co N2 O4 -","- C12 H10 Co N2 O4 -","- C48 H40 Co4 N8 O16 -","4","0.5","","Zhang, Ming; Wang, Liwen; Zeng, Tianyu; Shang, Qigao; Zhou, Hong; Pan, Zhiquan; Cheng, Qingrong","Two pure MOF-photocatalysts readily prepared for the degradation of methylene blue dye under visible light.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4251","4258","10.1039/c8dt00156a","","","0.71073","MoKα","","0.0501","0.0354","","","0.064","0.0674","","","","","","1.047","","","","has coordinates","230039","2020-10-21","18:00:00",""
"7045781","7.5168","0.0004","7.5168","0.0004","39.316","0.002","90","","90","","90","","2221.4","0.2","200","2","200","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(6R,8R)-7,7-dimethyl-5,6,7,8-tetrahydro-6,8-methanoisoquinoline-3-carbaldehyde","","- C13 H15 N O -","- C13 H15 N O -","- C104 H120 N8 O8 -","8","1","","Solea, Atena B.; Wohlhauser, Tobie; Abbasi, Parisa; Mongbanziama, Yvan; Crochet, Aurelien; Fromm, Katharina M.; Novitchi, Ghenadie; Train, Cyrille; Pilkington, Melanie; Mamula, Olimpia","Versatile synthesis of chiral 6-oxoverdazyl radical ligands - new building blocks for multifunctional molecule-based magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4785","4789","10.1039/c8dt00840j","","x-ray","0.71073","MoKα","","0.0797","0.0507","","","0.1283","0.1564","","","","","","1.384","","","","has coordinates","229769","2020-10-21","18:00:00",""
"7046296","13.9257","0.0016","13.9257","0.0016","17.035","0.004","90","","90","","90","","3303.5","0.9","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C22 H32 I3 N3 O8 Pb2 -","- C22 H32 I3 N3 O8 Pb2 -","- C88 H128 I12 N12 O32 Pb8 -","4","0.5","","Liu, Shao-Xian; Yuan, Guo-Jun; Zhai, Lu; Wang, Lifeng; Luo, Hong-Bin; Ren, Xiao-Ming","Dual emissions and thermochromic luminescences of isomorphic chiral twofold interpenetrated 3-D nets built from I<sup>1</sup>O<sup>2</sup> type hybrid inorganic-organic frameworks of [NH<sub>2</sub>(CH<sub>3</sub>)<sub>2</sub>]<sub>3</sub>[Pb<sub>2</sub>X<sub>3</sub>(BDC)<sub>2</sub>] (X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14233","14240","10.1039/c8dt01469h","","","0.71073","MoKα","","0.0182","0.0165","","","0.04","0.0403","","","","","","1.19","","","","has coordinates","229734","2020-10-21","18:00:00",""
"7046537","7.95","0.0002","7.95","0.0002","19.745","0.0006","90","","90","","90","","1247.93","0.06","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Poly[(mu-2-aminopyridine-3-carboxylato-kN:kO)zinc(II)]","","- C12 H10 N4 O4 Zn -","- C12 H10 N4 O4 Zn -","- C48 H40 N16 O16 Zn4 -","4","0.5","","Pajuelo-Corral, Oier; Rodríguez-Diéguez, Antonio; García, Jose A; San Sebastián, Eider; Seco, Jose M.; Cepeda, Javier","Chiral coordination polymers based on d<sup>10</sup> metals and 2-aminonicotinate with blue fluorescent/green phosphorescent anisotropic emissions.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8746","8754","10.1039/c8dt01159a","","","1.5418","CuKα","","0.0406","0.0393","","","0.1074","0.109","","","","","","1.152","","","","has coordinates","229516","2020-10-21","18:00:00",""
"7047695","10.4179","0.0003","10.4179","0.0003","14.7046","0.0005","90","","90","","90","","1595.93","0.08","293","","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C6 H14 Cl6 N2 Pb2 -","- C6 H12 Cl6 N2 Pb2 -","- C24 H48 Cl24 N8 Pb8 -","4","0.5","","Song, Jun-Ling; Chen, Wen-Jun; Chu, Kai-Bin; Zhou, Yu-Hua","A facile synthesis of two new IR optical perovskites based on 1,4-diazabicyclo[2,2,2]octane with a high laser damage threshold.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14497","14502","10.1039/c8dt03047b","","","0.71073","MoKα","","0.029","0.0268","","","0.0624","0.0636","","","","","","1.021","","","","has coordinates","229344","2020-10-21","18:00:00",""
"7047954","9.348","0.002","9.348","0.002","32.8311","0.0015","90","","90","","90","","2868.9","0.9","293","2","293","2","","","101.3","","","","synthesis","7","P 43 21 2","P 4nw 2abw","96","S,S-C4","","","- C20 H30 F6 Mn N6 O6 S2 -","- C20 H30 F6 Mn N6 O6 S2 -","- C80 H120 F24 Mn4 N24 O24 S8 -","4","0.5","","Vermaak, Vincent; Young, Desmond A.; Swarts, Andrew J.","Catalytic oxidation of alcohols with novel non-heme N<sub>4</sub>-tetradentate manganese(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16534","16542","10.1039/c8dt03808b","","x-ray","0.71075","MoKα","","0.0761","0.0555","","","0.138","0.1573","","","","","","1.056","","","","has coordinates","229652","2020-10-21","18:00:00",""
"7048709","15.4493","0.0003","15.4493","0.0003","14.474","0.0005","90","","90","","90","","3454.67","0.15","100.01","0.1","100.01","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C30 H38 Cl Co F8 N4 O3 -","- C30 H38 Cl Co F8 N4 O3 -","- C120 H152 Cl4 Co4 F32 N16 O12 -","4","0.5","","King, A. Paden; Gellineau, Hendryck A.; MacMillan, Samantha N.; Wilson, Justin J.","Physical properties, ligand substitution reactions, and biological activity of Co(iii)-Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5987","6002","10.1039/c8dt04606a","","x-ray","0.71073","MoKα","","0.0592","0.0522","","","0.1481","0.1547","","","","","","1.048","","","","has coordinates,has disorder","224417","2020-10-21","18:00:00",""
"7048906","13.31003","0.00011","13.31003","0.00011","35.1489","0.0005","90","","90","","90","","6226.87","0.11","150","2","150","0.1","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C55 H59 B F24 N O2 P2 Rh -","- C55 H59 B F24 N O2 P2 Rh -","- C220 H236 B4 F96 N4 O8 P8 Rh4 -","4","0.5","","Gyton, Matthew R.; Hood, Thomas M.; Chaplin, Adrian B.","A convenient method for the generation of {Rh(PNP)}<sup>+</sup> and {Rh(PONOP)}<sup>+</sup> fragments: reversible formation of vinylidene derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2877","2880","10.1039/c8dt05049j","","x-ray","0.71073","MoKα","","0.0555","0.0503","","","0.1302","0.1345","","","","","","1.05","","","","has coordinates,has disorder","224325","2020-10-21","18:00:00",""
"7048951","14.801","0.002","14.801","0.002","18.742","0.004","90","","90","","90","","4105.8","1.2","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C43 H36 Au2 Cl2 N2 O5 P2 -","- C43 H36 Au2 Cl2 N2 O5 P2 -","- C172 H144 Au8 Cl8 N8 O20 P8 -","4","0.5","","Fernández-Moreira, Vanesa; Val-Campillo, Cynthia; Ospino, Isaura; Herrera, Raquel P.; Marzo, Isabel; Laguna, Antonio; Gimeno, M Concepción","Bioactive and luminescent indole and isatin based gold(i) derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3098","3108","10.1039/c8dt00298c","","","0.71073","MoKα","","0.0207","0.0198","","","0.0459","0.0463","","","","","","1.081","","","","has coordinates,has disorder","224327","2020-10-21","18:00:00",""
"7049034","13.1202","0.0002","13.1202","0.0002","17.6987","0.0004","90","","90","","90","","3046.65","0.1","130","2","130","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C25 H39 Co Li N4 O10 -","- C25 H39 Co Li N4 O10 -","- C100 H156 Co4 Li4 N16 O40 -","4","0.5","","Sapianik, Aleksandr A.; Kiskin, Mikhail A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Audebrand, Nathalie; Sun, Yaguang; Fedin, Vladimir P.","Rational synthesis and dimensionality tuning of MOFs from preorganized heterometallic molecular complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3676","3686","10.1039/c8dt05136d","","x-ray","0.71073","MoKα","","0.0398","0.0359","","","0.0824","0.0842","","","","","","1.092","","","","has coordinates","224534","2020-10-21","18:00:00",""
"7050035","7.8122","0.0008","7.8122","0.0008","20.232","0.003","90","","90","","90","","1234.8","0.3","223","2","223","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H8 Cu N4 O6 -","- C10 H8 Cu N4 O6 -","- C40 H32 Cu4 N16 O24 -","4","0.5","","Lu, Jack Y.; Fernandez, Wifredo A.; Ge, Zhenghua; Abboud, Khalil A.","A novel two-fold interpenetrating 3D 42.84 network self-assembled from a new 1D coordination polymer","New Journal of Chemistry","2005","29","3","434","","10.1039/b412334d","","","0.71073","MoKα","","0.0303","0.0252","","","0.0654","0.0684","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051086","14.358","0.0007","14.358","0.0007","37.944","0.002","90","","90","","90","","7822.2","0.7","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C50 H37 Co O4 -","- C50 H37 Co O4 -","- C400 H296 Co8 O32 -","8","1","","Grepioni, Fabrizia; Gladiali, Serafino; Scaccianoce, Laura; Ribeiro, Paulinha; Braga, Dario","Crystal engineering of chiral superstructures based on (R)-(+)-1,1'-bi-2-naphthol and the alkali derivatives of racemic (R,S)-1,1'-bi-2-naphthol","New Journal of Chemistry","2001","25","5","690","","10.1039/b009665m","","","0.71073","MoKα","","0.4191","0.0629","","","0.1486","0.2076","","","","","","0.644","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051087","13.2613","0.0004","13.2613","0.0004","33.4406","0.0015","90","","90","","90","","5880.9","0.4","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C40 H30 Co O3 -","- C40 H30 Co O3 -","- C320 H240 Co8 O24 -","8","1","","Grepioni, Fabrizia; Gladiali, Serafino; Scaccianoce, Laura; Ribeiro, Paulinha; Braga, Dario","Crystal engineering of chiral superstructures based on (R)-(+)-1,1'-bi-2-naphthol and the alkali derivatives of racemic (R,S)-1,1'-bi-2-naphthol","New Journal of Chemistry","2001","25","5","690","","10.1039/b009665m","","","0.71073","MoKα","","0.1186","0.0331","","","0.0625","0.075","","","","","","0.812","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7052626","12.5928","0.0007","12.5928","0.0007","19.4047","0.0019","90","","90","","90","","3077.2","0.4","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","1,5-Diphenylamino-8-ethylamino-tri-s-triazine","1,5-Diphenylamino-8-ethylamino-tri-s-triazine","","- C34 H34 N10 O2 -","- C34 H34 N10 O2 -","- C136 H136 N40 O8 -","4","0.5","","Schwarzer, Anke; Kroke, Edwin","A series of aryl-/alkyl-substituted melems","New Journal of Chemistry","2011","35","4","953","","10.1039/c0nj00989j","","","0.71073","MoKα","","0.2683","0.0569","","","0.1159","0.1544","","","","","","0.808","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052716","12.4072","0.0001","12.4072","0.0001","39.0374","0.0004","90","","90","","90","","6009.36","0.09","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C62 H88 N8 O4 Rh4 -","- C62 H88 N8 O4 Rh4 -","- C248 H352 N32 O16 Rh16 -","4","0.5","","Jozak, Thomas; Sun, Yu; Thiel, Werner R.","Synthesis, characterization and co-ordination chemistry of dioxolanedipyrazoles","New Journal of Chemistry","2011","35","10","2114","","10.1039/c1nj20148d","","","1.54184","CuKα","","0.0204","0.0197","","","0.0414","0.0416","","","","","","1.059","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7053626","14.865","0.005","14.865","0.005","13.139","0.004","90","","90","","90","","2903.3","1.6","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C50 H48 Cd2 N10 O13 -","- C50 H38 Cd2 N10 O13 -","- C100 H76 Cd4 N20 O26 -","2","0.25","","Aijaz, Arshad; Lama, Prem; Sañudo, E. Carolina; Mishra, Rupali; Bharadwaj, Parimal K.","Coordination polymers of various architectures built with mixed imidazole/benzimidazole and carboxylate donor ligands and different metal ions: syntheses, structural features and magnetic properties","New Journal of Chemistry","2010","34","11","2502","","10.1039/c0nj00302f","","","0.71073","MoKα","","0.0751","0.0692","","","0.2208","0.2269","","","","","","1.223","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7055188","12.2504","0.0001","12.2504","0.0001","42.3729","0.0007","90","","90","","90","","6359","0.13","100","2","100.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","[Cu(syn-25)]","","","- C23 H34 Cu N10 O4 -","- C23 H34 Cu N10 O4 -","- C184 H272 Cu8 N80 O32 -","8","1","","Felten, A.-S.; Petry, N.; Henry, B.; Pellegrini-Moïse, N.; Selmeczi, K.","C-Functionalized chiral dioxocyclam and cyclam derivatives with 1,2,3-triazole units: synthesis, complexation properties and crystal structures of copper(ii) complexes","New J. Chem.","2016","40","2","1507","","10.1039/C5NJ01927C","","","1.5418","CuKα","","0.0463","0.0438","","","0.1061","0.1083","","","","","","1.043","","","","has coordinates","177887","2020-10-21","18:00:00",""
"7055349","11.8773","0.0007","11.8773","0.0007","44.58","0.003","90","","90","","90","","6288.9","0.7","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C66 H104 N6 O7 -","- C66 H104 N6 O7 -","- C264 H416 N24 O28 -","4","0.5","","Yuan, Minghui; Tanabe, Iori; Bernard-Schaaf, Jean-Marie; Shi, Qin-Yin; Schlegel, Vicki; Schurhammer, Rachel; Dowben, Peter A.; Doudin, Bernard; Routaboul, Lucie; Braunstein, Pierre","Influence of steric hindrance on the molecular packing and the anchoring of quinonoid zwitterions on gold surfaces","New J. Chem.","2016","40","7","5782","","10.1039/C5NJ03251B","","","0.71073","MoKα","","0.0685","0.0527","","","0.1145","0.1228","","","","","","1.074","","","","has coordinates,has disorder","185583","2020-10-21","18:00:00",""
"7055434","21.087","0.004","21.087","0.004","12.382","0.003","90","","90","","90","","5506","2","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H25 Co2 N2 O10 -","- C30 H25 Co2 N2 O10 -","- C240 H200 Co16 N16 O80 -","8","1","","Fan, Yan; Hu, Dong-Cheng; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Four cobalt(ii) complexes based on a new tricarboxylate with a naphthalene ring and different N-containing ligands: synthesis, crystal structures and magnetic properties","New J. Chem.","2016","40","6","5010","","10.1039/C6NJ00065G","","","0.71073","MoKα","","0.0474","0.0343","","","0.0725","0.0781","","","","","","1.027","","","","has coordinates","183730","2020-10-21","18:00:00",""
"7056651","20.0846","0.0007","20.0846","0.0007","38.506","0.002","90","","90","","90","","15533","1.1","153","2","153","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H48 F12 N8 P2 Pd -","- C44 H48 F12 N8 P2 Pd -","- C528 H576 F144 N96 P24 Pd12 -","12","1.5","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.0802","0.0663","","","0.1685","0.1758","","","","","","1.097","","","","has coordinates,has disorder","201497","2020-10-21","18:00:00",""
"7057181","12.0348","0.0013","12.0348","0.0013","21.3648","0.0017","90","","90","","90","","3094.4","0.5","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H24 N2 O10 Ru3 -","- C28 H24 N2 O10 Ru3 -","- C112 H96 N8 O40 Ru12 -","4","0.5","","Hao, Zhiqiang; Li, Ning; Yan, Xinlong; Li, Ying; Zong, Siqi; Liu, Huating; Han, Zhangang; Lin, Jin","Ruthenium carbonyl complexes with pyridylalkanol ligands: synthesis, characterization and catalytic properties for aerobic oxidation of secondary alcohols","New Journal of Chemistry","2018","42","9","6968","","10.1039/C8NJ00329G","","","0.71073","MoKα","","0.0482","0.0335","","","0.0784","0.0884","","","","","","1.087","","","","has coordinates","230432","2020-10-21","18:00:00",""
"7058150","13.88","","13.88","","45.438","","90","","90","","90","","8753.83","","293.15","","293.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C25 H27 Co2 N5 O11.34 -","- C25 H27 Co2 N5 O11.343 -","- C200 H216 Co16 N40 O90.744 -","8","1","","Di, Min; Shen, Jingwen; Cui, Zheng; Zhang, Xiaoying; Zhang, Jingping","Assembly of metal‒organic frameworks based on 4-connected 3,3′,5,5′-azobenzenetetracarboxylic acid: structures, magnetic properties, and sensing of Fe3+ ions","New Journal of Chemistry","2019","43","10","4226","","10.1039/C8NJ05139A","","","0.71073","MoKα","","0.1013","0.0684","","","0.1569","0.1765","","","","","","1.018","","","","has coordinates","224690","2020-10-21","18:00:00",""
"7058781","8.7877","0.0006","8.7877","0.0006","24.203","0.003","90","","90","","90","","1869","0.3","296","2","296.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H16 Cl2 N2 Zn -","- C20 H16 Cl2 N2 Zn -","- C80 H64 Cl8 N8 Zn4 -","4","0.5","","Ma, Xiaofan; Kong, Weili; Abudoureheman, Maierhaba; Zhang, Jun; Xuan, Xiaopeng","A homo-chiral helical coordination polymer constructed from an achiral ligand with excellent photo-physical properties and cell imaging application","New Journal of Chemistry","2019","43","37","15023","","10.1039/C9NJ03791H","","x-ray","0.71073","MoKα","","0.0245","0.0226","","","0.0575","0.0583","","","","","","1.11","","","","has coordinates","224699","2020-10-21","18:00:00",""
"7058851","17.0286","0.001","17.0286","0.001","12.7776","0.0015","90","","90","","90","","3705.2","0.5","173","2","173","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C46 H38 O4 -","- C46 H38 O4 -","- C184 H152 O16 -","4","0.5","","Liu, Yong; Yan, Xiaodong; Li, Tao; Zhang, Wen-Da; Fu, Qiu-Ting; Lu, Hui-Shu; Wang, Xuan; Gu, Zhi-Guo","Three-dimensional porphyrin-based covalent organic frameworks with tetrahedral building blocks for single-site catalysis","New Journal of Chemistry","2019","43","43","16907","","10.1039/C9NJ04017J","","","0.71073","MoKα","","0.1928","0.0979","","","0.2256","0.3318","","","","","","1.155","","","","has coordinates,has disorder","224764","2020-10-21","18:00:00",""
"7058906","8.9845","0.0004","8.9845","0.0004","8.5007","0.0005","90","","90","","90","","686.19","0.06","110.15","","110.15","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C5 H10 O4 -","- C5 H10 O4 -","- C20 H40 O16 -","4","0.5","","Arp, Fabian Felix; Ahn, Shin Hye; Bhuvanesh, Nattamai; Bluemel, Janet","Selective Synthesis and Stabilization of Peroxides via Phosphine Oxides","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04858H","","","1.54178","CuKα","","0.0261","0.0246","","","0.0555","0.0557","","","","","","1.195","","","","has coordinates","219478","2020-10-21","18:00:00",""
"7059158","29.369","0.002","29.369","0.002","50.089","0.004","90","","90","","90","","43204","5","120","2","120","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","Trimer Trip","","- C232 H458 F6 N36 Na12 O217 S12 -","- C232 H224 F6 N36 O70 S12 -","- C928 H896 F24 N144 O280 S48 -","4","0.5","","Ndendjio, Sandra Zebaze; Liu, Wenjin; Yvanez, Nicolas; Meng, Zihui; Zavalij, Peter Y.; Isaacs, Lyle","Triptycene walled glycoluril trimer: synthesis and recognition properties","New Journal of Chemistry","2020","44","2","338","345","10.1039/C9NJ05336K","","","0.71073","MoKα","","0.099","0.0536","","","0.1044","0.1158","","","","","","1.286","","","","has coordinates,has disorder","257747","2020-10-21","18:00:00",""
"7059731","30.16","0.004","30.16","0.004","14.716","0.003","90","","90","","90","","13386","4","100.15","","100.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(PPh4)4[(MoO2)4(9HL)4].4MeOH.3H2O","","","- C152 H122 Mo4 O35 P4 -","- C148 H100 Mo4 O28 P4 -","- C592 H400 Mo16 O112 P16 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles","New Journal of Chemistry","2020","44","27","11437","11440","10.1039/D0NJ02413A","","","0.7109","Synchrotron","","0.1022","0.0745","","","0.1505","0.1694","","","","","","1.061","","","","has coordinates,has disorder","257678","2020-10-21","18:00:00",""
"7059733","30.135","0.004","30.135","0.004","14.809","0.003","90","","90","","90","","13448","4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(AsPh4)4[(MoO2)4(9HL)4].3MeOH.4H2O","","","- C151 H120 As4 Mo4 O35 -","- C148 H104 As4 Mo4 O32 -","- C592 H416 As16 Mo16 O128 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles","New Journal of Chemistry","2020","44","27","11437","11440","10.1039/D0NJ02413A","","","0.7107","MoKα","","0.0562","0.047","","","0.1126","0.1191","","","","","","1.034","","","","has coordinates,has disorder","257678","2020-10-21","18:00:00",""
"7059734","30.2142","0.0002","30.2142","0.0002","14.7473","0.0002","90","","90","","90","","13462.8","0.2","100","0.1","100","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(PPh4)4[(WO2)4(9HL)4].4MeOH.3H2O","","","- C152 H122 O35 P4 W4 -","- C148 H100 O28 P4 W4 -","- C592 H400 O112 P16 W16 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles","New Journal of Chemistry","2020","44","27","11437","11440","10.1039/D0NJ02413A","","","1.54184","CuKα","","0.0446","0.0406","","","0.1027","0.1051","","","","","","1.056","","","","has coordinates,has disorder","257678","2020-10-21","18:00:00",""
"7060743","12.9908","0.0004","12.9908","0.0004","30.0245","0.0016","90","","90","","90","","5067","0.3","296.15","","296.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H69 Cl2 Eu0.97 N2 O6 -","- C55 H69 Cl2 Eu0.989 N2 O6 -","- C220 H276 Cl8 Eu3.956 N8 O24 -","4","0.5","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.1423","0.1259","","","0.2777","0.287","","","","","","1.078","","","","has coordinates,has disorder","268833","2021-09-06","11:57:01",""
"7060744","12.8865","0.0005","12.8865","0.0005","29.8955","0.0017","90","","90","","90","","4964.5","0.4","296.15","","296.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H69 Cl2 Lu N2 O6 -","- C55 H69 Cl2 Lu N2 O6 -","- C220 H276 Cl8 Lu4 N8 O24 -","4","0.5","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.1098","0.07","","","0.1538","0.1728","","","","","","1.093","","","","has coordinates,has disorder","268833","2021-09-06","11:57:01",""
"7060745","12.9011","0.0005","12.9011","0.0005","29.9105","0.0016","90","","90","","90","","4978.3","0.4","296.15","","296.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C47 H53 Cl2 N2 O4 Yb -","- C47 H53 Cl2 N2 O4 Yb -","- C188 H212 Cl8 N8 O16 Yb4 -","4","0.5","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.0837","0.0671","","","0.1542","0.1652","","","","","","1.048","","","","has coordinates,has disorder","268833","2021-09-06","11:57:01",""
"7062667","10.02","0.0005","10.02","0.0005","88.189","0.004","90","","90","","90","","8854.2","0.7","190","2","190.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","tetragonal","","- C108 H64 Cd2 K O16 -","- C108 H64 Cd2 K O16 -","- C432 H256 Cd8 K4 O64 -","4","0.5","","Cen, Peipei; Ma, Tongtong; Jiang, Fujunrui; Zhang, Fengyuan; He, Yanping; Ding, Runmei; Tian, Danian","Fluorescent cadmium(ii) metal–organic frameworks exhibit excellent stability and detection ability to Fe3+ and MnO4− ions","New Journal of Chemistry","2023","47","35","16741","16747","10.1039/D3NJ02631K","","","1.34139","GaKα","","0.1847","0.1204","","","0.3306","0.3745","","","","","","1.059","","","","has coordinates","286777","2023-10-06","00:33:37",""
"7062789","16.2257","0.0006","16.2257","0.0006","38.4293","0.0018","90","","90","","90","","10117.4","0.7","150","","150","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H59 Cr2 Gd2 O41.5 -","- C30 H59 Cr2 Gd2 O41.5 -","- C240 H472 Cr16 Gd16 O332 -","8","1","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Voronina, Julia K.; Korotkova, Natalia A.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Belova, Ekaterina V.; Gogoleva, Natalia V.; Kottsov, Sergey Yu.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structural features, magnetic properties and thermal decomposition of a new series of polymeric Ln(iii)–Cr(iii) cyclopropane-1,1-dicarboxylates","New Journal of Chemistry","2023","47","41","19251","19264","10.1039/D3NJ03027J","","","0.71073","MoKα","","0.039","0.0315","","","0.064","0.067","","","","","","1.037","","","","has coordinates,has disorder","287367","2023-11-06","07:57:38",""
"7062792","16.2441","0.0003","16.2441","0.0003","38.4605","0.0017","90","","90","","90","","10148.6","0.5","150","2","150","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H59 Cr2 Eu2 O41.5 -","- C30 H59 Cr2 Eu2 O41.5 -","- C240 H472 Cr16 Eu16 O332 -","8","1","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Voronina, Julia K.; Korotkova, Natalia A.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Belova, Ekaterina V.; Gogoleva, Natalia V.; Kottsov, Sergey Yu.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structural features, magnetic properties and thermal decomposition of a new series of polymeric Ln(iii)–Cr(iii) cyclopropane-1,1-dicarboxylates","New Journal of Chemistry","2023","47","41","19251","19264","10.1039/D3NJ03027J","","","0.71073","MoKα","","0.0269","0.0242","","","0.0559","0.057","","","","","","1.042","","","","has coordinates,has disorder","287367","2023-11-06","07:57:39",""
"7063134","18.864","0.0002","18.864","0.0002","19.6976","0.0004","90","","90","","90","","7009.4","0.18","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C37 H37 N3 O8 -","- C37 H37 N3 O8 -","- C296 H296 N24 O64 -","8","1","","Bakija, Marija; Perić, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","48","19","8702","8719","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.1149","0.0852","","","0.2386","0.2762","","","","","","1.053","","","","has coordinates,has disorder","293207","2024-07-05","17:41:19",""
"7100204","10.2364","0.0004","10.2364","0.0004","28.109","0.002","90","","90","","90","","2945.4","0.3","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 Ag F3 N2 O4 S -","- C12 H8 Ag F3 N2 O4 S -","- C96 H64 Ag8 F24 N16 O32 S8 -","8","1","","T. C. W. Mak; Xu-Dong Chen; Miao Du","Controlled Generation of Heterochiral or Homochiral Coordination Polymer: Helical Conformational Polymorphs and Argentophilicity-Induced Spontaneous Resolution","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100325","8.2007","0.0004","8.2007","0.0004","26.5896","0.0009","90","","90","","90","","1788.19","0.14","180","2","180","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C80 H112 O16 -","8","1","","Andrew B. Holmes; Andrew Ayscough; Andrew Bond; Gary C. H. Chiang; Sylvie Duckie; Gilles Pain","Synthesis of a simplified analogue of eleutherobin via a Claisen rearrangement and ring closing metathesis strategy","Chemical Communications","2005","","","","","10.1039/b413426e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100551","12.3252","0.0005","12.3252","0.0005","33.675","0.003","90","","90","","90","","5115.6","0.5","90","","90","","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","DB-DABP-Pt-DABNTf","","","- C25 H19 Cl1.5 F3 N2 O3 Pd0.5 S -","- C25 H19 Cl1.5 F3 N2 O3 Pd0.5 S -","- C200 H152 Cl12 F24 N16 O24 Pd4 S8 -","8","1","","","","Chemical Communications","2005","","","","","10.1039/b510910h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100849","11.532","0.001","11.532","0.001","18.29","0.001","90","","90","","90","","2432.3","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 Cu N5 -","- C12 H8 Cu N5 -","- C96 H64 Cu8 N40 -","8","1","","Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen","Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical Enumeration of Supramolecular Isomerism Based on a Predesigned Metal-Organic Building Block","Chemical Communications","2005","","","","","10.1039/b416095a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101217","11.9811","0.0003","11.9811","0.0003","40.4968","0.0019","90","","90","","90","","5813.2","0.3","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C31 H35 F6 Fe N2 O P -","- C31 H35 F6 Fe N2 O P -","- C248 H280 F48 Fe8 N16 O8 P8 -","8","1","","G. C. W. Fu; E. Bappert; Peter Muller","Asymmetric [3+2] Annulations Catalyzed by a Planar-Chiral Derivative of DMAP","Chemical Communications","2006","","24","","","10.1039/b603172b","","","0.71073","MoKα","","0.0501","0.0405","","","0.0862","0.0904","","","","","","1.074","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7102554","10.6505","0.0007","10.6505","0.0007","43.402","0.004","90","","90","","90","","4923.3","0.6","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","N-[(2R)-t-Boc-Aminocyclopent-(1S)-yl]-N-(thymin-1-acetyl)-glycine ethyl ester","","- C21 H32 N4 O7 -","- C21 H32 N4 O7 -","- C168 H256 N32 O56 -","8","1","","Govindaraju, T; Kumar, Vaijayanti A; Ganesh, Krishna N","cis-Cyclopentyl PNA (cpPNA) as constrained chiral PNA analogues: stereochemical dependence of DNA/RNA hybridization.","Chemical communications (Cambridge, England)","2004","","7","860","861","10.1039/b317000d","","","0.71073","MoKα","","0.0746","0.0733","","","0.1537","0.1543","","","","","","1.37","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102849","13.4066","0.0002","13.4066","0.0002","32.0618","0.0011","90","","90","","90","","5762.7","0.2","273","2","273","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H34 Cd2 O11 -","- C20 H34 Cd2 O11 -","- C160 H272 Cd16 O88 -","8","1","","Zhang, Jian; Bu, Xianhui","Temperature dependent charge distribution in three-dimensional homochiral cadmium camphorates.","Chemical communications (Cambridge, England)","2008","","4","444","446","10.1039/b715945e","","","0.71073","MoKα","","0.0558","0.0456","","","0.1413","0.1508","","","","","","1.053","","","","has coordinates","180130","2020-10-21","18:00:00",""
"7103061","13.215","0.001","13.215","0.001","12.8435","0.0001","90","","90","","90","","2242.9","0.2","273","2","273","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C10 H12 O4 Zn -","- C10 H12 O4 Zn -","- C80 H96 O32 Zn8 -","8","1","","Zhang, Jian; Bu, Xianhui","A new enantiopure unsaturated dicarboxylate as a 4-connected unit in a flexible homochiral PtS-type framework.","Chemical communications (Cambridge, England)","2008","","15","1756","1758","10.1039/b719368h","","","0.71073","MoKα","","0.0355","0.0289","","","0.0656","0.0683","","","","","","1.033","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103428","8.2718","0.0001","8.2718","0.0001","33.0787","0.0007","90","","90","","90","","2263.33","0.06","180","2","180","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H9 Cl N2 Se -","- C12 H9 Cl N2 Se -","- C96 H72 Cl8 N16 Se8 -","8","1","","Bacon, Catherine E; Eisler, Dana J; Melen, Rebecca L; Rawson, Jeremy M","Formation of N-bridgehead 1,2,5-thiadiazolium and selenadiazolium rings through an intramolecular cyclisation reaction.","Chemical communications (Cambridge, England)","2008","","40","4924","4926","10.1039/b809987a","","","0.71073","MoKα","","0.0505","0.0412","","","0.0816","0.0853","","","","","","1.19","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103601","16.8698","0.0007","16.8698","0.0007","40.0183","0.0012","90","","90","","90","","11388.8","0.8","100","2","100","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C94 H82 Cl5 Co4 N8 O27 P6 Sb5 -","- C94 H82 Cl5 Co4 N8 O27 P6 Sb5 -","- C376 H328 Cl20 Co16 N32 O108 P24 Sb20 -","4","0.5","","Ali, Shoaib; Baskar, Viswanathan; Muryn, Christopher A; Winpenny, Richard E P","Mixed antimonate-phosphonate ligands as polydentate bridging oxygen donors.","Chemical communications (Cambridge, England)","2008","","47","6375","6377","10.1039/b815270e","","","0.71073","MoKα","","0.1087","0.108","","","0.2119","0.2123","","","","","","1.292","","","","has coordinates","180139","2020-10-21","18:00:00",""
"7103975","15.4503","0.0001","15.4503","0.0001","52.1008","0.0004","90","","90","","90","","12437.1","0.15","110","1","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H80 Br2 N6 O15 Zn -","- C60.01 H76 Br2 N6 O15 Zn -","- C480.08 H608 Br16 N48 O120 Zn8 -","8","1","","Vila, Stéphane; Canet, Isabelle; Guyot, Jacques; Jeminet, Georges; Toupet, Loïc","Unusual structure of the dimeric 4-bromocalcimycin‒Zn^2+^ complex","Chemical Communications (Cambridge, United Kingdom)","2003","","4","516","517","10.1039/b210280n","","","0.71069","MoKα","","0.1635","0.0974","","","0.2404","0.2763","","","","","","1.023","","","","has coordinates,has disorder","210568","2020-10-21","18:00:00",""
"7104449","12.8637","0.0003","12.8637","0.0003","36.191","0.0013","90","","90","","90","","5988.7","0.3","150","2","150","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C19 H47 I N4 O Si3 U -","- C19 H47 I N4 O Si3 U -","- C152 H376 I8 N32 O8 Si24 U8 -","8","1","","Gardner, Benedict M; McMaster, Jonathan; Lewis, William; Liddle, Stephen T","Synthesis and structure of [{N(CH2CH2NSiMe3)3}URe(eta5-C5H5)2]: a heterobimetallic complex with an unsupported uranium-rhenium bond.","Chemical communications (Cambridge, England)","2009","34","20","2851","2853","10.1039/b906554g","","","0.71073","MoKα","","0.0424","0.0279","","","0.049","0.053","","","","","","1.06","","","","has coordinates","180147","2020-10-21","18:00:00",""
"7104545","19.895","0.004","19.895","0.004","52.6","0.014","90","","90","","90","","20819","8","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","Mn5Gd6","","","- C49 H74 Gd6 Mn5 N8 O49 -","- C49 H70 Gd6 Mn5 N8 O49 -","- C392 H560 Gd48 Mn40 N64 O392 -","8","1","","Shiga, Takuya; Onuki, Tatsuya; Matsumoto, Takuto; Nojiri, Hiroyuki; Newton, Graham N; Hoshino, Norihisa; Oshio, Hiroki","Undecanuclear mixed-valence 3d-4f bimetallic clusters.","Chemical communications (Cambridge, England)","2009","34","24","3568","3570","10.1039/b905480d","","","0.71073","MoKα","","0.0572","0.0428","","","0.0884","0.0916","","","","","","0.914","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7104546","19.904","0.003","19.904","0.003","52.596","0.012","90","","90","","90","","20838","6","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","Mn5Tb6","","","- C49 H74 Mn5 N8 O49 Tb6 -","- C49 H70 Mn5 N8 O49 Tb6 -","- C392 H560 Mn40 N64 O392 Tb48 -","8","1","","Shiga, Takuya; Onuki, Tatsuya; Matsumoto, Takuto; Nojiri, Hiroyuki; Newton, Graham N; Hoshino, Norihisa; Oshio, Hiroki","Undecanuclear mixed-valence 3d-4f bimetallic clusters.","Chemical communications (Cambridge, England)","2009","34","24","3568","3570","10.1039/b905480d","","","0.71073","MoKα","","0.0642","0.0395","","","0.0699","0.0734","","","","","","0.862","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7105596","13.789","0.0006","13.789","0.0006","19.1083","0.0015","90","","90","","90","","3633.2","0.4","123","2","123","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H42 Co N8 O2 -","- C44 H42 Co N8 O2 -","- C176 H168 Co4 N32 O8 -","4","0.5","","Wu, Jin-Ji; Cao, Man-Li; Ye, Bao-Hui","Spontaneous chiral resolution of mer-[Co(II)(N,N,O-L3)2] enantiomers mediated by pi-pi interactions.","Chemical communications (Cambridge, England)","2010","46","21","3687","3689","10.1039/c002167a","","","0.71073","MoKα","","0.0454","0.0382","","","0.0828","0.0868","","","","","","1.055","","","","has coordinates","180159","2020-10-21","18:00:00",""
"7105686","13.897","0.005","13.897","0.005","20.108","0.005","90","0.005","90","0.005","90","0.005","3883","2","153","2","153","2","","","","","","","synthesis as described","3","P 43 21 2","P 4nw 2abw","96","","","","- C37 H2 F5 -","- C37 H2 F5 -","- C296 H16 F40 -","8","1","","Chang-Zhu Li; Yutaka Matsuo; Takaaki Niinomi; Yoshiharu Sato; Eiichi Nakamura","Face-to-face C6F5-[60]Fullerene Interaction for Ordering Fullerene Molecules and Application to Thin-film Organic Photovoltaics","Chem.Commun.","2010","46","","8582","","10.1039/c0cc03028g","","x-ray","0.71069","MoKα","","0.0501","0.0498","","","0.1304","0.1307","","","","","","1.039","","","","has coordinates","209363","2020-10-21","18:00:00",""
"7105688","10.543","0.0015","10.543","0.0015","15.766","0.003","90","","90","","90","","1752.5","0.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H12 Mn N10 O2 -","- C16 H12 Mn N10 O2 -","- C64 H48 Mn4 N40 O8 -","4","0.5","","Xiao-Lan Tong; Tong-Liang Hu; Jiong-Peng Zhao; Yue-Kui Wang; Hui Zhang; Xiang-He Bu","Chiral Magnetic MnII Metal-Organic Frameworks with Achiral Tetrazolate-Based Ligand by Spontaneous Resolution","Chem.Commun.","2010","46","","8543","","10.1039/c0cc03111a","","","0.71073","MoKα","","0.0361","0.0324","","","0.0685","0.0696","","","","","","1.2","","","","has coordinates","180160","2020-10-21","18:00:00",""
"7106160","12.593","0.001","12.593","0.001","59.124","0.006","90","","90","","90","","9376.1","1.4","170","","170","","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C54.5 H47 F6 N O2 P Pd Sb -","- C54.5 H47 F6 N O2 P Pd Sb -","- C436 H376 F48 N8 O16 P8 Pd8 Sb8 -","8","1","","Xavier Urbaneja; Audrey Mercier; Celine Besnard; Peter Kundig","Highly efficient desymmetrisation of a tricarbonylchromium 1,4-dibromonaphthalene complex by asymmetric Suzuki–Miyaura coupling","Chem.Commun.","2011","47","","3739","","10.1039/c1cc10347d","","","0.71073","MoKα","","0.0458","0.0435","","0.0965","0.0953","0.0965","","","","","","0.9205","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7106568","10.9288","0.0004","10.9288","0.0004","56.2966","0.0017","90","","90","","90","","6724","0.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H18.59 N2 O8 Zn2 -","- C28 H18.59 N2 O8 Zn2 -","- C224 H148.72 N16 O64 Zn16 -","8","1","","Deyun Ma; Yingwei Li; Zhong Li","Tuning the moisture stability of metal-organic frameworks by incorporating hydrophobic functional groups at different positions of ligands","Chem.Commun.","2011","47","","7377","","10.1039/c1cc11752a","","","0.71073","MoKα","","0.057","0.0518","","","0.1726","0.1759","","","","","","1.073","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7106597","8.0493","0.0005","8.0493","0.0005","54.9","0.005","90","","90","","90","","3557","0.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C21 H16 Br N O2 -","- C21 H16 Br N O2 -","- C168 H128 Br8 N8 O16 -","8","1","","Kai Gao; Chang-Bin Yu; Wei Li; Yong-Gui Zhou; Xumu Zhang","Synthesis and enantioselective hydrogenation of seven-membered cyclic imines: substituted dibenzo[b,f][1,4]oxazepines","Chem.Commun.","2011","47","","7845","","10.1039/c1cc12263k","","","0.71073","MoKα","","0.0667","0.0433","","","0.1064","0.1149","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7107030","15.8591","0.0012","15.8591","0.0012","21.685","0.003","90","","90","","90","","5454","1","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C50 H40 Cd Cl6 N12 O8 -","- C50 H40 Cd Cl6 N12 O8 -","- C200 H160 Cd4 Cl24 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.0819","0.0708","","","0.1813","0.1893","","","","","","1.121","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107034","15.8178","0.0016","15.8178","0.0016","21.503","0.005","90","","90","","90","","5380.1","1.5","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C50 H40 Cd Cl6 N12 O8 -","- C50 H40 Cd Cl6 N12 O8 -","- C200 H160 Cd4 Cl24 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.0648","0.0589","","","0.1711","0.1765","","","","","","1.182","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107035","15.8545","0.0008","15.8545","0.0008","21.596","0.002","90","","90","","90","","5428.5","0.6","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C50 H38 Cd Cl8 N12 O8 -","- C50 H38 Cd Cl8 N12 O8 -","- C200 H152 Cd4 Cl32 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.0543","0.0522","","","0.1418","0.1443","","","","","","1.052","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107036","15.8633","0.001","15.8633","0.001","21.586","0.003","90","","90","","90","","5432","0.9","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C50 H38 Cd Cl8 N12 O8 -","- C50 H38 Cd Cl8 N12 O8 -","- C200 H152 Cd4 Cl32 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.0587","0.0557","","","0.1493","0.1521","","","","","","1.05","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107581","15.9922","0.0012","15.9922","0.0012","12.4393","0.0019","90","","90","","90","","3181.4","0.6","180","3","180","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C34 H42 N4 O2 -","- C34 H42 N4 O2 -","- C136 H168 N16 O8 -","4","0.5","","Jonathan P. Hill; Navaneetha K. Subbaiyan; Francis DfSouza; Yonshu Xie; Satyajit Sahu; Noelia M. Sanchez-Ballester; Gary J. Richards; Toshiyuki Mori; Katsuhiko Ariga","Antioxidant-substituted Tetrapyrazinoporphyrinazine as a Turn-on Fluorescent Sensor for Basic Anions","Chem.Commun.","2012","48","","3951","","10.1039/c2cc30712j","","","0.71073","MoKα","","0.0533","0.0491","","","0.1294","0.136","","","","","","1.527","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107590","9.4861","0.0011","9.4861","0.0011","36.031","0.006","90","","90","","90","","3242.3","0.8","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H50 B2 N2 O9 -","- C15 H16 B2 N2 O4 -","- C60 H64 B8 N8 O16 -","4","0.5","","Jorge Cruz-Huerta; Domingo Salazar-Mendoza; Javier Hernandez-Paredes; Iran F. Hernandez Ahuactzi; Herbert Hopfl","N-containing boronic esters as self-complementary building blocks for the assembly of 2D and 3D molecular networks","Chem.Commun.","2012","48","","4241","","10.1039/c2cc00144f","","","0.71073","MoKα","","0.0907","0.0722","","","0.1993","0.2083","","","","","","1.07","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107644","15.344","0.015","15.344","0.015","38.99","0.04","90","","90","","90","","9180","16","253","","253","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C37 H46 N8 O8 -","- C37 H42 N8 O8 -","- C296 H336 N64 O64 -","8","1","","Noriko Fujimoto; Mio Matsumura; Isao Azumaya; Shizuka Nishiyama; Hyuma Masu; Hiroyuki Kagechika; Aya Tanatani","Molecular chirality and chiral capsule-type dimer formation of cyclic triamides via hydrogen-bonding interactions","Chem.Commun.","2012","48","","4809","","10.1039/c2cc18177k","","","0.71073","MoKα","","0.1355","0.0864","","","0.2408","0.2729","","","","","","0.934","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107789","18.3252","0.001","18.3252","0.001","37.083","0.004","90","","90","","90","","12453","1.7","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C136 H92 Fe2 N4 O5 -","- C136 H92 Fe2 N4 O5 -","- C544 H368 Fe8 N16 O20 -","4","0.5","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.0988","0.0802","","","0.2318","0.253","","","","","","1.141","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107804","15.9327","0.0009","15.9327","0.0009","12.4522","0.001","90","","90","","90","","3161","0.4","213","2","213","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(3,4,4a,5,6,9,10,10a,11,12-decahydroanthra [1,9,8-cdef:5,10,4-cdef]dicinnoline)dichlorodicopper(I), Solvate with 4 Acetonitrile","","- C28 H30 Cl2 Cu2 N8 -","- C24 H24 Cl2 Cu2 N6 -","- C96 H96 Cl8 Cu8 N24 -","4","0.5","","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Krautscheid, Harald; Zhylenko, Iryna S.; Rusanov, Eduard B.; Chernega, Alexander N.","Facile access to a series of large polycondensed pyridazines and their utility for the supramolecular synthesis of coordination polymers","Chem.Commun.","2012","48","","5847","","10.1039/c2cc31770b","","","0.71073","MoKα","","0.0591","0.0384","","","0.0959","0.1019","","","","","","0.835","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7108233","9.2214","0.0004","9.2214","0.0004","46.482","0.002","90","","90","","90","","3952.6","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","foldamers","","","- C17 H24 N2 O5 S -","- C17 H22.8 N2 O5 S -","- C136 H182.4 N16 O40 S8 -","8","1","","Gowri Priya; Amol Kotmale; Rupesh Gawade; Deepti Mishra; Sourav Pal; Vedavati Puranik; Pattuparambil Rajamohanan; Gangadhar J.Sanjayan","Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding","Chem.Commun.","2012","48","","8922","","10.1039/c2cc33235c","","","0.71073","MoKα","","0.0547","0.0454","","","0.1193","0.1275","","","","","","1.047","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7109248","6.1737","","6.1737","","8.4219","","90","","90","","90","","320.997","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","Ag2 (Hg O2)","","- Ag2 Hg O2 -","- Ag2 Hg O2 -","- Ag8 Hg4 O8 -","4","0.5","","Deibele, Stephan; Curda, Jan; Peters, Eva-Maria; Jansen, Martin","Ag~2~HgO~2~: the first silver mercurate","Chemical Communications (Cambridge, United Kingdom)","2000","","8","679","680","10.1039/b000400f","","","","","","","","","","","","","","","","","","","","","has coordinates","210984","2020-10-21","18:00:00",""
"7110088","13.6542","0.0019","13.6542","0.0019","42.16","0.008","90","","90","","90","","7860","2","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C15.5 H24.5 Cu4 N3.5 O19.5 S3 -","- C14 H14 Cu4 N3 O16 S3 -","- C112 H112 Cu32 N24 O128 S24 -","8","1","","Jiahuan Luo; Jing Wang; Guanghua Li; Qisheng Huo; Yunling Liu","Assembly of a unique octa-nuclear copper cluster-based metal-organic framework with highly selective CO2 adsorption over N2 and CH4","Chem.Commun.","2013","49","","11433","","10.1039/c3cc47462c","","","0.71073","MoKα","","0.0384","0.0349","","","0.0931","0.0943","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110364","10.5735","0.0015","10.5735","0.0015","30.251","0.006","90","","90","","90","","3382","1","293","2","293","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","ferrocene cyclam x Ni(II)triflate complex","1,8-(1,1'-ferrocenedimethyldiyl),4,11-tetraaza-cyclotetradecane- Nickel(II)triflate complex'","","- C13.5 H20 F3 Fe0.5 N2 Ni0.5 O3.5 S -","- C13.5 H20 F3 Fe0.5 N2 Ni0.5 O3.5 S -","- C108 H160 F24 Fe4 N16 Ni4 O28 S8 -","8","1","","Plenio, Herbert; Aberle, Clemens","Synthesis of a ferrocene bridged cyclam: a new redox-active macrocycle and the structure of a nickel(II) complex with strongly coupled metal centers","Chemical Communications","1998","","24","2697","","10.1039/a807240j","","","0.71073","MoKα","","0.1175","0.0452","","","0.1101","0.1323","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110507","13.28","0.002","13.28","0.002","26.529","0.005","90","","90","","90","","4678.6","1.3","193","2","193","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C49 H54 Cl3 Mn N4 O8 -","- C49 H52 Cl3 Mn N4 O8 -","- C196 H208 Cl12 Mn4 N16 O32 -","4","0.5","","Simonato, Jean-Pierre; Pécaut, Jacques; Marchon, Jean-Claude; Robert Scheidt, W.","Antagonistic metal-directed inductions in catalytic asymmetric aziridination by manganese and iron tetramethylchiroporphyrins","Chemical Communications","1999","","11","989","","10.1039/a901559k","","","0.71073","MoKα","","0.0512","0.0458","","0.1277","0.123","","","","1.034","1.052","1.052","","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110730","12.1187","0.0008","12.1187","0.0008","29.753","0.003","90","","90","","90","","4369.6","0.6","153","2","153","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C40 H28 N4 O12 Rh6 -","- C40 H28 N4 O12 Rh6 -","- C160 H112 N16 O48 Rh24 -","4","0.5","","Tejel, Cristina; Bordonaba, Marta; Ciriano, Miguel A.; Lahoz, Fernando J.; Oro, Luis A.","Bi-edge condensation of imido‒rhodium clusters leading to novel planar hexametallic structures","Chemical Communications","1999","","23","2387","","10.1039/a907853c","","","0.71073","MoKα","","0.1251","0.0619","","","0.0613","0.0722","","","","","","0.959","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110823","11.396","0.007","11.396","0.007","13.913","0.009","90","","90","","90","","1807","2","150","2","150","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","{[Ag(2,2'-bpyz)]BF4.2MeNO2}","{Silver(I)(2,2'-bipyrazine)](tetrafluoroborate)}n.MeNO2 solvate","","- C10 H12 Ag B F4 N6 O4 -","- C10 H12 Ag B F4 N6 O4 -","- C40 H48 Ag4 B4 F16 N24 O16 -","4","0.5","","Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Nicolson, James E. B.","Synthesis of a chiral adamantoid network— the role of solvent in the construction of new coordination networks with silver(i)","Chemical Communications","2000","","8","665","","10.1039/a909868b","","","0.71073","MoKα","","0.0684","0.0549","","","0.1262","0.1359","","","","","","1.176","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7112163","10.0579","0.0006","10.0579","0.0006","36.133","0.002","90","","90","","90","","3655.3","0.4","123","","123","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C18.5 H24 Cl N3 O3 -","- C18.25 H24 Cl N3 O3 -","- C146 H192 Cl8 N24 O24 -","8","1","","Keiji Mori; Kazuki Kurihara; Takahiko Akiyama","Expeditious synthesis of 1-aminoindane derivatives achieved by [1,4]-hydride shift mediated C(sp3)-H bond functionalization","Chem.Commun.","2014","50","","3729","","10.1039/c4cc00894d","","","0.71073","MoKα","","0.0443","0.0412","","","0.1049","0.107","","","","","","1.026","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112877","7.8075","0.0003","7.8075","0.0003","29.146","0.003","90","","90","","90","","1776.7","0.2","123","1","123","1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","((4,4'- bipyridine)bis(carbamoylcyanonitrosomethanido)copper(ii))","[(4,4'-bipyridine)bis(carbamoylcyanonitrosomethanido)copper(II)]","","- C16 H12 Cu N8 O4 -","- C16 H12 Cu N8 O4 -","- C64 H48 Cu4 N32 O16 -","4","0.5","","Chesman, Anthony S. R.; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Transformation of a 1D to 3D coordination polymer mediated by low temperature lattice solvent loss.","Chemical communications (Cambridge, England)","2010","46","27","4899","4901","10.1039/c0cc00711k","","","0.71073","MoKα","","0.0441","0.0373","","","0.0714","0.0742","","","","","","1.035","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7113323","9.4537","0.0004","9.4537","0.0004","68.322","0.012","90","","90","","90","","6106.1","1.1","153","2","153","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C30 H27 F6 N4 O3.5 P Ru S -","- C30 H27 F6 N4 O3.5 P Ru S -","- C240 H216 F48 N32 O28 P8 Ru8 S8 -","8","1","","Zheng-Zheng Li; Su-Yang Yao; Jin-Ji Wu; Bao-Hui Ye","In situ generation of sulfoxides with predetermined chirality via a structural template with a chiral-at-metal ruthenium complex","Chem.Commun.","2014","50","","5644","","10.1039/C4CC01907E","","","1.54178","CuKα","","0.1079","0.104","","","0.2233","0.2255","","","","","","1.165","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113367","12.3183","0.0011","12.3183","0.0011","36.329","0.003","90","","90","","90","","5512.6","0.8","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H27 Br N2 O5 -","- C28 H27 Br N2 O5 -","- C224 H216 Br8 N16 O40 -","8","1","","Liwei Zou; Xiaoze Bao; Yuanyuan Ma; Yuming Song; Jingping Qu; Baomin Wang","Novel tartrate-derived guanidine-catalyzed highly enantio- and diastereoselective Michael addition of 3-substituted oxindoles to nitroolefins","Chem.Commun.","2014","50","","5760","","10.1039/C4CC01817F","","","0.71073","MoKα","","0.0753","0.0475","","","0.1208","0.1328","","","","","","1","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7114490","13.5618","0.0002","13.5618","0.0002","22.9202","0.0006","90","","90","","90","","4215.54","0.14","180","2","180","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C46 H62 N2 O2 Zr -","- C46 H62 N2 O2 Zr -","- C184 H248 N8 O8 Zr4 -","4","0.5","","Munslow, Ian J.; Clarke, Adam J.; Deeth, Robert J.; Westmoreland, Ian; Scott, Peter","Efficient predetermination of chirality-at-zirconiumElectronic supplementary information (ESI) available: DFT minimised molecular structures of ??-[ZrL2(CH2Ph)2] (.pdb) and seven further diastereomers. See http://www.rsc.org/suppdata/cc/b2/b205043a/","Chemical Communications","2002","","17","1868","","10.1039/b205043a","","","0.71073","MoKα","","0.1351","0.0636","","","0.0994","0.1239","","","","","","1.106","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114720","9.009","0.003","9.009","0.003","12.21","0.01","90","","90","","90","","991","0.9","293.2","","293.2","","","","","","","","synthesis","4","P 43 21 2","P 4nw 2abw","96","","","","- C3 H6 Br Se0.5 -","- C3 H6 Br Se0.25 -","- C24 H48 Br8 Se2 -","8","1","","Takada, Hiroya; Metzner, Patrick; Philouze, Christian","First chiral selenium ylides used for asymmetric conversion of aldehydes into epoxides","Chemical Communications","2001","","22","2350","","10.1039/b106063p","","","0.7107","MoKα","","0.0452","0.0452","","0.0358","","0.0358","","","1.077","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114920","14.4211","0.0006","14.4211","0.0006","34.489","0.002","90","","90","","90","","7172.6","0.6","153","2","153","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C45 H36 N1.5 O2 P Rh -","- C45 H36 N1.5 O2 P Rh -","- C360 H288 N12 O16 P8 Rh8 -","8","1","","Barberis, Mario; Pérez-Prieto, Julia; Lahuerta, Pascual; Sanaú, Mercedes","Enantiocontrol in the intermolecular cyclopropanation reaction catalyzed by dirhodium(ii) complexes with ortho-metalated aryl phosphine ligands","Chemical Communications","2001","","5","439","","10.1039/b010145c","","","0.71073","MoKα","","0.0474","0.0365","","","0.0735","0.0776","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116355","7.0094","0.0003","7.0094","0.0003","32.787","0.002","90","","90","","90","","1610.88","0.14","250","2","250","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","2,3DhaTphmonomer","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","0.5","","Digambar Balaji Shinde; Sharath Kandambeth; Pradip Pachfule; Raya Rahul Kumar; Rahul Banerjee","Bifunctional covalent organic frameworks with two dimensional organocatalytic micropores","Chem.Commun.","2015","51","","310","","10.1039/C4CC07104B","","","0.71073","MoKα","","0.0672","0.0588","","","0.1411","0.1455","","","","","","1.151","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116404","8.67","0.004","8.67","0.004","12.722","0.013","90","","90","","90","","956.3","1.2","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C H B N O Zn -","- C1.2 H3.6 B1.6 N0.8 O2.8 Zn0.4 -","- C12 H36 B16 N8 O28 Zn4 -","10","1.25","","Chun-Yang Pan; Li-Juan Zhong; Feng-Hua Zhao; Hong-Mei Yang; Jian Zhou","Zn(1,3-DAP)[B4O7]: a rare chiral zeolitic framework constructed of four-connected [B4O9] clusters with a single-stranded helical channel","Chem.Commun.","2015","51","","753","","10.1039/C4cc08202H","","","0.71073","MoKα","","0.016","0.0159","","","0.0482","0.0482","","","","","","1.242","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116577","9.0041","0.0003","9.0041","0.0003","31.3056","0.001","90","","90","","90","","2538.06","0.14","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H36 B4 Mo2 O2 -","- C22 H36 B4 Mo2 O2 -","- C88 H144 B16 Mo8 O8 -","4","0.5","","Bijan Mondal; Bijnaneswar Mondal; Koushik Pal; Babu Varghese; Sundargopal Ghosh","An electron-poor di-molybdenum triple-decker with a puckered [B4Ru2] bridging ring is an oblato-closo cluster","Chem.Commun.","2015","51","","3828","","10.1039/C4cc09630D","","","0.71073","MoKα","","0.0331","0.0316","","","0.0741","0.0751","","","","","","1.226","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7116876","11.6351","0.0006","11.6351","0.0006","48.952","0.003","90","","90","","90","","6626.9","0.6","292.23","0.1","292.23","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","h003-w6","","- C19 H18 Cl O2 -","- C19 H17.5 Cl O2 -","- C304 H280 Cl16 O32 -","16","2","","Yang Yang; Jinpeng Li; Biao Du; Changchun Yuan; Bo Liu; Song Qin","An entry to vinylcyclopropane through palladium-catalyzed intramolecular cyclopropanation of alkenes with unstabilized allylic tosylhydrazones","Chem.Commun.","2015","51","","6179","","10.1039/C5cc00235D","","x-ray","1.54184","CuKα","","0.1264","0.0954","","","0.2674","0.2926","","","","","","1.047","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7117024","15.8664","0.0004","15.8664","0.0004","21.7986","0.0013","90","","90","","90","","5487.6","0.4","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C54 H40 Cd Cl2 N12 O10 -","- C54 H40 Cd Cl2 N12 O10 -","- C216 H160 Cd4 Cl8 N48 O40 -","4","0.5","","Fan Yang; Qi-Kui Liu; Dan Wu; An-Yan Li; Yu-Bin Dong","p-Benzoquinone adsorption-separation, sensing and its photoinduced transformation within a robust Cd(II)-MOF in a SC-SC fashion","Chem.Commun.","2015","51","","7443","","10.1039/C5cc00127G","","","0.71073","MoKα","","0.0513","0.0433","","","0.1109","0.1185","","","","","","1.079","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117025","15.8983","0.0001","15.8983","0.0001","21.6675","0.0007","90","","90","","90","","5476.59","0.18","100.01","0.1","100.01","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C56 H46 Cd Cl2 N12 O11 -","- C56 H46 Cd Cl2 N12 O11 -","- C224 H184 Cd4 Cl8 N48 O44 -","4","0.5","","Fan Yang; Qi-Kui Liu; Dan Wu; An-Yan Li; Yu-Bin Dong","p-Benzoquinone adsorption-separation, sensing and its photoinduced transformation within a robust Cd(II)-MOF in a SC-SC fashion","Chem.Commun.","2015","51","","7443","","10.1039/C5cc00127G","","","0.71073","MoKα","","0.0495","0.0417","","","0.0998","0.1061","","","","","","1.071","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117171","18.5107","0.0019","18.5107","0.0019","18.953","0.002","90","","90","","90","","6494.2","1.2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Benzimidazolium selenate","","","- C14 H14 N4 O4 Se -","- C14 H14 N4 O4 Se -","- C224 H224 N64 O64 Se16 -","16","2","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.0449","0.029","","","0.0605","0.0663","","","","","","1.034","","","","has coordinates","136594","2020-10-21","18:00:00",""
"7118003","15.9333","0.0006","15.9333","0.0006","21.1312","0.0014","90","","90","","90","","5364.6","0.5","100","0.1","100","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C50 H44 B2 Cd F8 N12 O2 -","- C50 H44 B2 Cd F8 N12 O2 -","- C200 H176 B8 Cd4 F32 N48 O8 -","4","0.5","","Chao-Wei Zhao; Yan-An Li; Xue-Ru Wang; Gong-Jun Chen; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Fabrication of Cd(II)-MOF-based ternary photocatalytic composite materials for H2 production via a gel-to-crystal approach","Chem.Commun.","2015","51","","15906","","10.1039/C5cc06291H","","x-ray","1.54184","CuKα","","0.1158","0.0945","","","0.2324","0.2559","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7119455","14.573","0.003","14.573","0.003","28.941","0.011","90","","90","","90","","6146","3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H25 Cd N2 O4 -","- C36 H25 Cd N2 O4 -","- C288 H200 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0827","0.0543","","","0.1141","0.1276","","","","","","1.106","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119456","14.523","0.0002","14.523","0.0002","29.1177","0.0008","90","","90","","90","","6141.4","0.2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0623","0.0543","","","0.1226","0.1264","","","","","","1.149","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119457","14.3555","0.0003","14.3555","0.0003","29.4087","0.0014","90","","90","","90","","6060.6","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H24 Cd N2 O4 -","- C36 H24 Cd N2 O4 -","- C288 H192 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0393","0.0355","","","0.0874","0.0907","","","","","","1.018","","","","has coordinates","204130","2020-10-21","18:00:00",""
"7119460","14.5318","0.0004","14.5318","0.0004","29.1429","0.0015","90","","90","","90","","6154.2","0.4","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.045","0.0366","","","0.0842","0.0879","","","","","","1.061","","","","has coordinates,has disorder","204131","2020-10-21","18:00:00",""
"7119462","14.4791","0.0005","14.4791","0.0005","29.069","0.002","90","","90","","90","","6094.2","0.5","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0515","0.0402","","","0.0902","0.095","","","","","","1.072","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119463","14.4739","0.0003","14.4739","0.0003","29.0695","0.0012","90","","90","","90","","6089.9","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0661","0.0543","","","0.1292","0.1354","","","","","","1.098","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119464","14.4958","0.0003","14.4958","0.0003","29.0361","0.0015","90","","90","","90","","6101.3","0.4","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1133","0.0933","","","0.2163","0.2252","","","","","","1.207","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119465","14.5294","0.0003","14.5294","0.0003","29.1842","0.0016","90","","90","","90","","6160.9","0.4","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1112","0.0956","","","0.2184","0.2303","","","","","","1.071","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119472","14.5486","0.0002","14.5486","0.0002","29.1966","0.0011","90","","90","","90","","6179.8","0.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0957","0.0862","","","0.1888","0.1943","","","","","","1.142","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119473","14.486","0.0008","14.486","0.0008","28.911","0.003","90","","90","","90","","6066.8","0.8","273","2","273","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1436","0.0746","","","0.1523","0.1821","","","","","","1.018","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119475","14.4789","0.0004","14.4789","0.0004","29.007","0.002","90","","90","","90","","6081","0.5","273","2","273","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0957","0.0682","","","0.1528","0.1664","","","","","","1.108","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119478","14.5803","0.0004","14.5803","0.0004","29.181","0.002","90","","90","","90","","6203.4","0.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0617","0.0465","","","0.0902","0.0965","","","","","","1.067","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119480","14.5616","0.0003","14.5616","0.0003","29.153","0.0008","90","","90","","90","","6181.6","0.2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1071","0.0983","","","0.2164","0.2214","","","","","","1.154","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7122421","12.9026","0.0002","12.9026","0.0002","29.8458","0.0007","90","","90","","90","","4968.64","0.16","293.2","0.2","293.2","0.2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C43 H68 Cl2 N4 Ni O14 -","- C43 H68 Cl2 N4 Ni O14 -","- C172 H272 Cl8 N16 Ni4 O56 -","4","0.5","","Guo, Jing; Liu, Xiaohua; He, Changqiang; Tan, Fei; Dong, Shunxi; Feng, Xiaoming","Nickel(ii)-catalyzed enantioselective α-alkylation of β-ketoamides with phenyliodonium ylide via a radical process.","Chemical communications (Cambridge, England)","2018","54","86","12254","12257","10.1039/c8cc07140c","","x-ray","1.54184","CuKα","","0.0919","0.0745","","","0.2282","0.2564","","","","","","1.019","","","","has coordinates","227985","2020-10-21","18:00:00",""
"7122811","15.3383","0.0002","15.3383","0.0002","25.9466","0.0005","90","","90","","90","","6104.29","0.16","150","0.1","150","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C51 H44 Br6 P4 Rh2 -","- C51 H44 Br6 P4 Rh2 -","- C204 H176 Br24 P16 Rh8 -","4","0.5","","Hill, Anthony; Barnett, Harrison J.","Halogenation of A-Frame μ-Carbido Complexes: Synthesis of η2-Halocarbynes","Chemical Communications","2019","","","","","10.1039/C8CC09692A","","x-ray","1.54184","CuKα","","0.1383","0.0944","","","0.2596","0.3215","","","","","","1.045","","","","has coordinates,has disorder","213023","2020-10-21","18:00:00",""
"7123784","9.0883","0.0001","9.0883","0.0001","41.3484","0.0008","90","","90","","90","","3415.26","0.08","100","0.1","100","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C160 H136 N8 O40 -","8","1","","Guo, Hai-Ming; Yang, Xin-He; Li, Jianping; Wang, Dong-Chao; Xie, Ming-Sheng; Qu, Gui-Rong","Enantioselective Dearomative [3+2] Cycloaddition of 2-Nitrobenzofurans with Aldehyde-Derived Morita−Baylis−Hillman Carbonates","Chemical Communications","2019","","","","","10.1039/C9CC04542B","","x-ray","1.54184","CuKα","","0.0775","0.0768","","","0.2148","0.2155","","","","","","1.082","","","","has coordinates","216774","2020-10-21","18:00:00",""
"7124043","9.6355","0.0001","9.6355","0.0001","32.1835","0.0007","90","","90","","90","","2988.01","0.08","293.37","0.1","293.37","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H4 O4 Zn -","- C8 H4 O4 Zn -","- C128 H64 O64 Zn16 -","16","2","","Yang, Xiao-Gang; Lu, Xiao-Min; Zhai, Zhi-Min; Zhao, Ying; Liu, Xin-Yi; Ma, Lufang; Zang, Shuang-Quan","Facile Synthesis of Micro-Scale MOF Host-Guest with Long-Last Phosphorescence and Enhanced Optoelectronic Performance","Chemical Communications","2019","","","","","10.1039/C9CC05708K","","x-ray","0.71073","MoKα","","0.0666","0.0644","","","0.1565","0.1573","","","","","","1.164","","","","has coordinates","217638","2020-10-21","18:00:00",""
"7124514","14.564","0.003","14.564","0.003","14.223","0.004","90","","90","","90","","3016.8","1.2","299","2","299.02","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C9 H3 Eu N O7 -","- C9 H3 Eu N O7 -","- C72 H24 Eu8 N8 O56 -","8","1","","Wu, Dai; Zhang, Zhe; Chen, Xiwen; Meng, Lingkun; Li, Chunguang; Li, Guanghua; Chen, Xiao-Bo; Shi, Zhan; Feng, Shouhua","A non-luminescent Eu-MOF-based “turn-on” sensor towards anthrax biomark through single-crystal to single-crystal phase transition","Chemical Communications","2019","","","","","10.1039/C9CC08206A","","","0.71073","MoKα","","0.046","0.0392","","","0.1137","0.1232","","","","","","1.127","","","","has coordinates,has disorder","231016","2020-10-21","18:00:00",""
"7124656","7.8691","0.0007","7.8691","0.0007","22.353","0.003","90","","90","","90","","1384.2","0.3","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Poly[(mu-6-aminopyridine-3-carboxylato-kN:kO)zinc(II)]","","- C12 H10 N4 O4 Zn -","- C12 H10 N4 O4 Zn -","- C48 H40 N16 O16 Zn4 -","4","0.5","","Cepeda, Javier; Sebastian, Eider San; Padro, Daniel; Rodríguez-Diéguez, Antonio; García, Jose A; Ugalde, Jesus M.; Seco, Jose M.","A Zn based coordination polymer exhibiting long-lasting phosphorescence.","Chemical communications (Cambridge, England)","2016","52","56","8671","8674","10.1039/c6cc03242g","","","0.71073","MoKα","","0.0525","0.0494","","","0.1038","0.1047","","","","","","1.235","","","","has coordinates","234079","2020-10-21","18:00:00",""
"7124664","15.4204","0.0002","15.4204","0.0002","43.9852","0.0006","90","","90","","90","","10459.2","0.2","100","","100","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C98 H120 N16 O18 -","- C98 H120 N16 O18 -","- C392 H480 N64 O72 -","4","0.5","","Chung, Mee-Kyung; Lee, Stephen J.; Waters, Marcey L.; Gagné, Michel R","Tetrameric psuedo-peptide receptors with allosteric properties.","Chemical communications (Cambridge, England)","2016","52","52","8103","8106","10.1039/c6cc03296f","","","1.54178","CuKα","","0.0707","0.0652","","","0.1764","0.1815","","","","","","1.043","","","","has coordinates","234089","2020-10-21","18:00:00",""
"7124785","20.973","0.003","20.973","0.003","30.067","0.005","90","","90","","90","","13225","3","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","Ir-Co2","","- C121 H107 Cl4 Co3 Ir2 N25 O22 -","- C121 H103 Cl4 Co3 Ir2 N25 O22 -","- C484 H412 Cl16 Co12 Ir8 N100 O88 -","4","0.5","","Li, Xuezhao; Wu, Jinguo; Chen, Liyong; Zhong, Xiaoming; He, Cheng; Zhang, Rong; Duan, Chunying","Engineering an iridium-containing metal-organic molecular capsule for induced-fit geometrical conversion and dual catalysis.","Chemical communications (Cambridge, England)","2016","52","62","9628","9631","10.1039/c6cc04647a","","","0.71073","MoKα","","0.0887","0.0763","","","0.1987","0.2056","","","","","","1.023","","","","has coordinates","234226","2020-10-21","18:00:00",""
"7125166","12.4731","0.0002","12.4731","0.0002","48.7421","0.0015","90","","90","","90","","7583.2","0.3","120","2","120","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C48 H50 Li2 -","- C48 H50 Li2 -","- C384 H400 Li16 -","8","1","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.0433","0.0375","","","0.0918","0.0951","","","","","","1.033","","","","has coordinates","234567","2020-10-21","18:00:00",""
"7125317","12.362","0.003","12.362","0.003","38.073","0.007","90","","90","","90","","5818","2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H42 B2 Cl2 N2 -","- C30 H42 B2 Cl2 N2 -","- C240 H336 B16 Cl16 N16 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic","Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes.","Chemical communications (Cambridge, England)","2017","53","89","12132","12135","10.1039/c7cc07409c","","","0.71073","MoKα","","0.0348","0.0302","","","0.0695","0.0714","","","","","","1.062","","","","has coordinates","235599","2020-10-21","18:00:00",""
"7125462","15.091","0.003","15.091","0.003","63.545","0.018","90","","90","","90","","14472","6","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C106 H168 N12 Ni O16 S5 -","- C106 H132 N12 Ni O16 S5 -","- C424 H528 N48 Ni4 O64 S20 -","4","0.5","","Pérollier, Céline; Pécaut, Jacques; Ramasseul, René; Marchon, Jean-Claude; Bau, Robert","High-yield synthesis of a chiroporphyrin by hydrogen bond-directed cyclisation","Chemical Communications","1999","","16","1597","","10.1039/a904134f","","","0.71073","MoKα","","0.3255","0.1198","","","0.265","0.3091","","","","","","1.015","","","","has coordinates","243853","2020-10-21","18:00:00",""
"7126041","15.3383","0.0002","15.3383","0.0002","25.9466","0.0005","90","","90","","90","","6104.29","0.16","150","0.1","150","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C51 H44 Br6 P4 Rh2 -","- C51 H44 Br6 P4 Rh2 -","- C204 H176 Br24 P16 Rh8 -","4","0.5","","Hill, Anthony; Sharma, Manab; Sinha, Arup; Ward, Jas S.; Frogley, Benjamin","Semi-bridging σ-Silyls as Z-type Ligands","Chemical Communications","2020","","","","","10.1039/C9CC07763D","","x-ray","1.54184","CuKα","","0.1383","0.0944","","","0.2596","0.3215","","","","","","1.045","","","","has coordinates,has disorder","248299","2020-10-21","18:00:00",""
"7126215","9.0746","0.0006","9.0746","0.0006","25.3561","0.0018","90","","90","","90","","2088","0.2","173","","173","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C3 H10 I6 N6 Sn2 -","- C3 H10 I6 N6 Sn2 -","- C12 H40 I24 N24 Sn8 -","4","0.5","","McNulty, Jason A.; Lightfoot, Philip","Unprecedented tin iodide perovskite-like structures featuring ordering of organic moieties.","Chemical communications (Cambridge, England)","2020","56","33","4543","4546","10.1039/d0cc00549e","","","0.71075","MoKα","","0.0257","0.0239","","","0.0586","0.0592","","","","","","1.047","","","","has coordinates,has disorder","251560","2020-10-21","18:00:00",""
"7128758","11.683","0.0001","11.683","0.0001","39.0801","0.0003","90","","90","","90","","5334.14","0.08","301","0.1","301","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H29 I N2 O6 -","- C28 H29 I N2 O6 -","- C224 H232 I8 N16 O48 -","8","1","","Shi, Wei-Yu; Ding, Ya-Nan; Zheng, Nian; Gou, Xue-Ya; Zhang, Zhe; Chen, Xi; Luan, Yu-Yong; Niu, Zhi-Jie; Liang, Yong-Min","Highly regioselective and stereoselective synthesis of C-Aryl glycosides <i>via</i> nickel-catalyzed <i>ortho</i>-C-H glycosylation of 8-aminoquinoline benzamides.","Chemical communications (Cambridge, England)","2021","57","71","8945","8948","10.1039/d1cc03589d","","x-ray","1.54184","CuKα","","0.0273","0.0248","","","0.0616","0.0627","","","","","","1.047","","","","has coordinates","269655","2021-10-06","14:00:06",""
"7128910","10.0422","0.0003","10.0422","0.0003","53.3248","0.0016","90","","90","","90","","5377.6","0.3","104","2","104","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C64 H52 N2 O4 -","- C64 H52 N2 O4 -","- C256 H208 N8 O16 -","4","0.5","","Thiele, Maike; Octa-Smolin, Frescilia; Thölke, Simon; Wölper, Christoph; Linders, Jürgen; Mayer, Christian; Haberhauer, Gebhard; Niemeyer, Jochen","A supramolecular double-helix based on complementary phosphate-guanidinium pairing.","Chemical communications (Cambridge, England)","2021","57","77","9842","9845","10.1039/d1cc04644f","","","1.54178","CuKα","","0.0478","0.0453","","","0.1187","0.1217","","","","","","1.028","","","","has coordinates,has disorder","269622","2021-10-06","13:49:09",""
"7129173","17.438","0.003","17.438","0.003","41.986","0.008","90","","90","","90","","12767","4","373.15","","373.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C97.67 H73 Cu4 N11 O45.67 S4 -","- C97.6666 H72.9998 Cu4 N11 O45.6666 S4 -","- C390.666 H291.999 Cu16 N44 O182.666 S16 -","4","0.5","","Walker, Samuel Edward; Boer, Stephanie A.; Malcomson, Thomas; Paterson, Martin J.; Tuck, Kellie; Turner, David Roger","Steric Control of Sorting Regimes in Self-Assembled Cages","Chemical Communications","2021","","","","","10.1039/D1CC05610G","","","0.710915","Synchrotron","","0.1322","0.0967","","","0.2479","0.2879","","","","","","0.959","","","","has coordinates,has disorder","270178","2021-10-30","21:56:10",""
"7129265","15.8548","0.0003","15.8548","0.0003","21.4208","0.0005","90","","90","","90","","5384.65","0.19","150","0.1","150","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C54 H44 Cd Cl2 N12 O8 -","- C54 H44 Cd Cl2 N12 O8 -","- C216 H176 Cd4 Cl8 N48 O32 -","4","0.5","","Jin, Guo-Xia; Wang, Teng; Yue, Tai-Xing; Wang, Xiaokang; Dai, Fangna; Wu, Xiang-Wen; Liu, Qi-Kui; Ma, Jian-ping","Cd-MOF: Specific adsorption selectivity for linear alkyne (propyne, 2-butyne and phenylacetylene) molecules","Chemical Communications","2021","","","","","10.1039/D1CC05316G","","x-ray","1.54184","CuKα","","0.0446","0.0383","","","0.0967","0.1014","","","","","","1.004","","","","has coordinates","270735","2021-11-17","22:56:56",""
"7129266","15.8898","0.0003","15.8898","0.0003","21.431","0.0007","90","","90","","90","","5411","0.2","173.01","0.1","173.01","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C56 H48 Cd Cl2 N12 O8 -","- C56 H48 Cd Cl2 N12 O8 -","- C224 H192 Cd4 Cl8 N48 O32 -","4","0.5","","Jin, Guo-Xia; Wang, Teng; Yue, Tai-Xing; Wang, Xiaokang; Dai, Fangna; Wu, Xiang-Wen; Liu, Qi-Kui; Ma, Jian-ping","Cd-MOF: Specific adsorption selectivity for linear alkyne (propyne, 2-butyne and phenylacetylene) molecules","Chemical Communications","2021","","","","","10.1039/D1CC05316G","","x-ray","1.54184","CuKα","","0.1175","0.1094","","","0.2754","0.2835","","","","","","1.081","","","","has coordinates","270735","2021-11-17","22:57:00",""
"7129927","8.987","0.004","8.987","0.004","28.74","0.04","90","","90","","90","","2321","4","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H19 F2 N Sn -","- C10 H18.9999 F1.9998 N Sn -","- C80 H151.999 F15.9984 N8 Sn8 -","8","1","","Miele, Margherita; Castoldi, Laura; Simeone, Xenia; Holzer, Wolfgang; Pace, Vittorio","Straightforward Synthesis of Bench-Stable Heteroatom-Centered Difluoromethylated Entities via the Controlled Nucleophilic Transfer from Activated TMSCHF2","Chemical Communications","2022","","","","","10.1039/D2CC00886F","","x-ray","1.54186","CuKα","","0.0383","0.0344","","","0.0852","0.0874","","","","","","1.086","","","","has coordinates,has disorder","274356","2022-04-05","22:03:23",""
"7130547","7.7025","0.0001","7.7025","0.0001","36.3548","0.0005","90","","90","","90","","2156.88","0.05","301.63","0.1","301.63","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H13 N O3 S -","- C10 H13 N O3 S -","- C80 H104 N8 O24 S8 -","8","1","","Song, Xian-Jiang; Tang, Shu-Yu; Chen, Xiao-Gang; Ai, Yong","Chemical Design Homochiral Heterocyclic Organic Ferroelectric Crystals","Chemical Communications","2022","","","","","10.1039/D2CC03881A","","x-ray","1.54184","CuKα","","0.0414","0.0388","","","0.1065","0.1086","","","","","","1.069","","","","has coordinates","277285","2022-08-17","21:59:07",""
"7130945","10.4653","0.0002","10.4653","0.0002","31.2709","0.0011","90","","90","","90","","3424.87","0.15","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H15 F6 P Si -","- C16 H15 F6 P Si -","- C128 H120 F48 P8 Si8 -","8","1","","Coles, Nathan Thomas; Groth, Lucie; Dettling, Lea; Frost, Daniel Sebastian; Rigo, Massimo; Neale, Samuel E.; Muller, Christian","Triple dehydrofluorination as a route to amidine-functionalized, aromatic phosphorus heterocycles","Chemical Communications","2022","","","","","10.1039/D2CC05178H","","","0.71073","MoKα","","0.0487","0.0349","","","0.0774","0.0863","","","","","","1.08","","","","has coordinates","278926","2022-11-03","22:56:15",""
"7133818","18.1042","0.0004","18.1042","0.0004","13.2792","0.0004","90","","90","","90","","4352.42","0.19","290","","290","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H22.5 N3.5 O4 Zn -","- C13 H13 N3 O2 Zn -","- C104 H104 N24 O16 Zn8 -","8","1","","Fu, Hong-Ru; Zhang, Ruo-Yu; Li, Ting; Wei, Chen-Ying; Liu, Shuang; Xu, Jia-Yi; Zhu, Xueli; Wei, Jiaojiao; Ding, Qing-Rong; Ma, Lu-Fang","Color-tunable and white circularly polarized luminescence through confining guests into chiral MOFs.","Chemical communications (Cambridge, England)","2024","60","74","10212","10215","10.1039/d4cc03164d","","x-ray","0.71073","MoKα","","0.0458","0.0375","","","0.0889","0.0925","","","","","","1.003","","","","has coordinates,has disorder","295033","2024-10-04","04:44:14",""
"7134011","13.8769","0.0002","13.8769","0.0002","35.5657","0.0012","90","","90","","90","","6848.8","0.3","120","","120","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C65.5 H11 B N2 S -","- C65.5 H11 B N2 S -","- C524 H88 B8 N16 S8 -","8","1","","Yuan, Sheng-Hu; Ma, Shu-Chao; Wu, Jian; Zheng, Xiu-Ying; Xuan, Jun; Li, Fei","NHC-BH2-C60H: Synthesis, Characterization and Electrochemical Properties of the N‑heterocyclic Carbene Stabilized Fullerene-borane Complex","Chemical Communications","2024","","","","","10.1039/D4CC04866K","","x-ray","1.54184","CuKα","","0.197","0.1632","","","0.4182","0.4511","","","","","","1.126","","","","has coordinates","296096","2024-11-25","22:53:34",""
"7150915","9.198","0.002","9.198","0.002","40.598","0.008","90","","90","","90","","3434.7","1.3","293","","293","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C136 H176 N16 O24 -","8","1","","Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian","Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones","Organic & Biomolecular Chemistry","2008","6","14","2574","2586","10.1039/b802997k","","","1.54178","CuKα","","0.0454","0.0454","","0.0484","","0.0484","","","1.565","","","1.565","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151689","9.7065","0.0007","9.7065","0.0007","45.227","0.005","90","","90","","90","","4261.1","0.6","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C21 H20 F5 N O2 S -","- C21 H20 F5 N O2 S -","- C168 H160 F40 N8 O16 S8 -","8","1","","Li, Peng; Liu, Li-Juan; Liu, Jin-Tao","Per(poly)fluoroalkanesulfinamides assisted diastereoselective three-component inverse-electron-demand aza Diels-Alder reaction.","Organic & biomolecular chemistry","2011","9","1","74","77","10.1039/C0OB00699H","","","0.71073","MoKα","","0.1385","0.04","","","0.058","0.0781","","","","","","0.874","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7152875","8.6628","0.0004","8.6628","0.0004","55.161","0.002","90","","90","","90","","4139.5","0.3","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C184 H224 N32 O16 -","8","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0495","0.0413","","","0.0966","0.1014","","","","","","1.066","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152877","7.9849","0.0003","7.9849","0.0003","19.6071","0.0008","90","","90","","90","","1250.12","0.08","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C11 H20 N4 O2 -","- C11 H20 N4 O2 -","- C44 H80 N16 O8 -","4","0.5","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0507","0.0414","","","0.1043","0.1118","","","","","","1.02","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7155019","5.9412","0.0001","5.9412","0.0001","60.104","0.0009","90","","90","","90","","2121.54","0.06","100","2","100","2","","","","","","","synthesis","5","P 43 21 2","P 4nw 2abw","96","","1R,3S-albucidin","","- C9 H3 D10 N5 O3 -","- C9 H3 D10 N5 O3 -","- C72 H24 D80 N40 O24 -","8","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","1.54178","CuKα","","0.0297","0.0297","","","0.0839","0.0839","","","","","","0.581","","","","has coordinates","181780","2020-10-21","18:00:00",""
"7155669","10.0438","0.0009","10.0438","0.0009","29.02","0.003","90","","90","","90","","2927.5","0.5","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C13 H14 F N O5 S -","- C13 H14 F N O5 S -","- C104 H112 F8 N8 O40 S8 -","8","1","","Yan, Shenghu; Cao, Shengyu; sun, jiangtao","Synthesis of Seven-Membered Heterocycles via Copper-Catalyzed Cross-Coupling of Terminal Alkynes with Diazo Compounds and Sequential Michael Addition","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01091E","","","0.71073","MoKα","","0.0747","0.0447","","","0.1068","0.1204","","","","","","1.032","","","","has coordinates","197640","2020-10-21","18:00:00",""
"7155967","8.2526","0.0002","8.2526","0.0002","60.866","0.003","90","","90","","90","","4145.3","0.2","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H28 N2 O7 -","- C19 H28 N2 O7 -","- C152 H224 N16 O56 -","8","1","","Chiu, Din-Chi; Lin, Tzu-Chen; Huang, Wen-I; Cheng, Ting-Jen R.; Tsai, Keng-Chang; Fang, Jim-Min","Peramivir analogues bearing hydrophilic side chains exhibit higher activities against H275Y mutant than wild-type influenza virus","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02374J","","","1.54178","CuKα","","0.0819","0.075","","","0.2042","0.2107","","","","","","1.088","","","","has coordinates","203035","2020-10-21","18:00:00",""
"7157004","8.73671","0.00017","8.73671","0.00017","56.4484","0.001","90","","90","","90","","4308.71","0.14","130","2","130","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C25 H28 N2 S -","- C25 H28 N2 S -","- C200 H224 N16 S8 -","8","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0365","0.0356","","","0.0841","0.0846","","","","","","1.065","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157006","12.9053","0.0001","12.9053","0.0001","16.087","0.0001","90","","90","","90","","2679.24","0.03","130","2","130","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C11 H24 N2 S -","- C11 H24 N2 S -","- C88 H192 N16 S8 -","8","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0282","0.0272","","","0.0702","0.0711","","","","","","1.067","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157491","9.74142","0.00005","9.74142","0.00005","55.7588","0.0004","90","","90","","90","","5291.25","0.05","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C45 H74 N2 O20 S2 -","- C45 H74 N2 O20 S2 -","- C180 H296 N8 O80 S8 -","4","0.5","","Tota, Arianna; Carlucci, Claudia; Pisano, Luisa; Cutolo, Giuliano; Clarkson, Guy J.; Romanazzi, Giuseppe; Degennaro, Leonardo; Bull, James A.; Rollin, Patrick; Luisi, Renzo","Synthesis of glycosyl sulfoximines by a highly chemo- and stereoselective NH- and O-transfer to thioglycosides.","Organic & biomolecular chemistry","2020","18","20","3893","3897","10.1039/d0ob00647e","","x-ray","1.54184","CuKα","","0.0469","0.0464","","","0.1189","0.1193","","","","","","1.053","","","","has coordinates","252920","2020-10-21","18:00:00",""
"7157502","9.3559","0.0002","9.3559","0.0002","60.611","0.003","90","","90","","90","","5305.5","0.3","292.01","0.1","292.01","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C208 H192 N16 O16 S8 -","8","1","","Yang, Junxian; He, Zeyuan; Hong, Liang; Sun, Wangsheng; Wang, Rui","Asymmetric N-aminoalkylation of 3-substituted indoles by N-protected N,O-acetals: an access to chiral propargyl aminals.","Organic & biomolecular chemistry","2020","18","22","4169","4173","10.1039/d0ob00795a","","","1.54184","CuKα","","0.095","0.087","","","0.2483","0.2589","","","","","","0.868","","","","has coordinates,has disorder","253977","2020-10-21","18:00:00",""
"7200189","12.4745","0.0004","12.4745","0.0004","26.721","0.002","90","","90","","90","","4158.1","0.4","185","2","185","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H22 Cu N3 O6.5 -","- C20 H21 Cu N3 O6.5 -","- C160 H168 Cu8 N24 O52 -","8","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Metal‒organic frameworks based on the pyridine-2,3-dicarboxylate and a flexible bispyridyl ligand: syntheses, structures, and photoluminescence","CrystEngComm","2009","11","2","292","","10.1039/b809557d","","","0.71073","MoKα","","0.0458","0.0363","","","0.0899","0.0946","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200191","12.5412","0.0009","12.5412","0.0009","27.227","0.004","90","","90","","90","","4282.3","0.8","185","2","185","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H22 N3 O6.5 Zn -","- C20 H19.6 N3 O6.5 Zn -","- C160 H156.8 N24 O52 Zn8 -","8","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Metal‒organic frameworks based on the pyridine-2,3-dicarboxylate and a flexible bispyridyl ligand: syntheses, structures, and photoluminescence","CrystEngComm","2009","11","2","292","","10.1039/b809557d","","","0.71073","MoKα","","0.0992","0.0674","","","0.1739","0.1918","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200330","10.116","0.002","10.116","0.002","31.186","0.005","90","","90","","90","","3191.4","1","200","","200","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(Cd2(OH2)3(OSO3)2(L))-4(H2O)","[Cd2(OH2)3(OSO3)2(L)]-4(H2O)","","- C22 H36 Cd2 N8 O15 S2 -","- C22 H36 Cd2 N8 O15 S2 -","- C88 H144 Cd8 N32 O60 S8 -","4","0.5","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.022","0.0209","","","0.0437","0.044","","","","","","1.075","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200795","7.4847","0.0004","7.4847","0.0004","42.565","0.003","90","","90","","90","","2384.5","0.2","120","2","120","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Bis(S-N-(1-phenylethyl)pyrrolo)tetrathiafulvalene","","- C26 H22 N2 S4 -","- C26 H22 N2 S4 -","- C104 H88 N8 S16 -","4","0.5","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.1479","0.0893","","","0.1303","0.1486","","","","","","1.149","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7201123","13.6263","0.0002","13.6263","0.0002","45.9922","0.0013","90","","90","","90","","8539.7","0.3","173","2","173","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C34 H32 Ag Br4 F6 N4 O8 P -","- C34 H32 Ag Br4 F6 N4 O8 P -","- C272 H256 Ag8 Br32 F48 N32 O64 P8 -","8","1","","Noh, Tae Hwan; Choi, Youn Jung; Ryu, Yoon Kyong; Lee, Young-A; Jung, Ok-Sang","2-Fold interpenetration via ligand-induced alternating perpendicular helical channel motifs. Structure of an acentric diamondoid silver(I) coordination polymer","CrystEngComm","2009","11","11","2371","","10.1039/b905296h","","","0.71073","MoKα","","0.0887","0.0445","","","0.0948","0.112","","","","","","1.044","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201509","12.955","0.005","12.955","0.005","19.352","0.006","90","","90","","90","","3248","2","253","1","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H18 N4 O10 Os3 -","- C32 H18 N4 O10 Os3 -","- C128 H72 N16 O40 Os12 -","4","0.5","","Wong, Janet Shuk-Yee; Gu, Yan-Juan; Szeto, Lap; Wong, Wing-Tak","An open-channel architecture assembly from the [Os3(CO)8{µ-η3-ONCPh(NC5H4)}2] cluster","CrystEngComm","2008","10","1","29","","10.1039/b708080h","","","0.71073","MoKα","","","0.0225","","","","0.0267","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205970","13.8954","0.0015","13.8954","0.0015","17.787","0.002","90","","90","","90","","3434.4","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H28 In N0 O8 -","- C20 H28 In O8 -","- C80 H112 In4 O32 -","4","0.5","","Wang, Liping; Song, Tianyou; Huang, Liangliang; Xu, Jianing; Li, Chao; Ji, Caixia; Shan, Liang; Wang, Li","A porous chiral In-MOF with anionic-type diamond network: synthesis, structure and nitrogen gas adsorption","CrystEngComm","2011","13","12","4005","","10.1039/c1ce05110e","","","0.71073","MoKα","","0.1052","0.0658","","","0.176","0.1867","","","","","","0.932","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7206225","5.5503","0.0002","5.5503","0.0002","38.4073","0.0009","90","","90","","90","","1183.17","0.07","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H Cl2 N O2 -","- C4 H Cl2 N O2 -","- C32 H8 Cl16 N8 O16 -","8","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0292","0.0265","","","0.0691","0.0696","","","","","","1.168","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7207859","14.749","0.002","14.749","0.002","22.313","0.005","90","","90","","90","","4853.8","1.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C39 H38 N6 O27.5 Zn4 -","- C39 H27 N6 O27.5 Zn4 -","- C156 H108 N24 O110 Zn16 -","4","0.5","","He, Jianghong; Zhang, Guangju; Xiao, Dongrong; Chen, Haiyan; Yan, Shiwei; Wang, Xin; Yang, Juan; Wang, Enbo","Helicity controlled by the chirality of amino acid: two novel enantiopure chiral 3D architectures containing fivefold interwoven helices","CrystEngComm","2012","14","10","3609","","10.1039/c2ce25038a","","","0.71073","MoKα","","0.1169","0.0785","","","0.1411","0.1572","","","","","","1.201","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207908","14.3035","0.0003","14.3035","0.0003","15.9627","0.0006","90","","90","","90","","3265.81","0.16","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H46 N4 O8 Zn -","- C32 H46 N4 O8 Zn -","- C128 H184 N16 O32 Zn4 -","4","0.5","","Huang, Qian; Cai, Jianfeng; Wu, Hui; He, Yabing; Chen, Banglin; Qian, Guodong","A robust microporous metal‒organic framework constructed from a flexible organic linker for highly selective sorption of methanol over ethanol and water","Journal of Materials Chemistry","2012","22","20","10352","","10.1039/c2jm15604k","","","0.71073","MoKα","","0.0648","0.0616","","","0.1256","0.127","","","","","","1.194","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207909","14.4835","0.0012","14.4835","","15.4118","0.0016","90","","90","","90","","3233","0.4","298","","298","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H38 N4 O6 Zn -","- C30 H38 N4 O6 Zn -","- C120 H152 N16 O24 Zn4 -","4","0.5","","Huang, Qian; Cai, Jianfeng; Wu, Hui; He, Yabing; Chen, Banglin; Qian, Guodong","A robust microporous metal‒organic framework constructed from a flexible organic linker for highly selective sorption of methanol over ethanol and water","Journal of Materials Chemistry","2012","22","20","10352","","10.1039/c2jm15604k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.11546","","4.91","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209018","9.893","0.0002","9.893","0.0002","40.122","0.0016","90","","90","","90","","3926.8","0.19","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C22 H30 O2 -","- C22 H30 O2 -","- C176 H240 O16 -","8","1","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0958","0.0531","","","0.0894","0.1012","","","","","","1.057","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209246","11.896","0.002","11.896","0.003","34.2854","0.0017","90","","90","","90","","4851.9","1.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C46 H46 Cd2 N18 O9 -","- C46 H44 Cd2 N18 O9 -","- C184 H176 Cd8 N72 O36 -","4","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.0499","0.0331","","","0.0758","0.078","","","","","","0.952","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209672","13.5368","0.0006","13.5368","0.0006","36.4665","0.0015","90","","90","","90","","6682.3","0.5","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C62 H58 N10 O17 -","- C62 H58 N10 O17 -","- C248 H232 N40 O68 -","4","0.5","","Konar, Anita Dutt","Can a single pyridinedicarboxylic acid be ample enough to nucleate supramolecular double helices in enantiomeric pseudopeptides?","CrystEngComm","2013","15","13","2466","","10.1039/c3ce26912d","","","0.71073","MoKα","","0.0891","0.0717","","","0.2208","0.2361","","","","","","1.104","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209989","10.814","0.0013","10.814","0.0013","25.41","0.004","90","","90","","90","","2971.5","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H13 N7 O8 Zn2 -","- C19 H13 N7 O8 Zn2 -","- C76 H52 N28 O32 Zn8 -","4","0.5","","Pan, Jie; Jiang, Fei-Long; Yuan, Da-Qiang; Shan, Xiao-Chen; Wu, Ming-Yan; Zhou, Kang; Gai, Yan-Li; Li, Xing-Jun; Hong, Mao-Chun","The 3D porous metal‒organic frameworks based on bis(pyrazinyl)‒trizole: structures, photoluminescence and gas adsorption properties","CrystEngComm","2013","15","28","5673","","10.1039/c3ce40574e","","","0.71073","MoKα","","0.0325","0.0319","","","0.0873","0.0879","","","","","","1.096","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7210310","7.6443","0.0004","7.6443","0.0004","19.1597","0.0012","90","","90","","90","","1119.6","0.11","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H12 Cl4 Cu N2 -","- C4 H12 Cl4 Cu N2 -","- C16 H48 Cl16 Cu4 N8 -","4","0.5","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.0163","0.0154","","","0.0366","0.0368","","","","","","1.059","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210593","10.6882","0.0015","10.6882","0.0015","16.036","0.003","90","","90","","90","","1831.9","0.5","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H10 Cd F2 N10 O2 -","- C16 H10 Cd F2 N10 O2 -","- C64 H40 Cd4 F8 N40 O8 -","4","0.5","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0229","0.0228","","","0.0488","0.0489","","","","","","1.132","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7211963","11.3689","0.0003","11.3689","0.0003","16.5658","0.0011","90","","90","","90","","2141.16","0.16","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C14 H12 Cd I3 N3 O5 -","- C14 H12 Cd I3 N3 O5 -","- C56 H48 Cd4 I12 N12 O20 -","4","0.5","","Dai, Fangna; He, Haiyan; Zhao, Xiaoliang; Ke, Yanxiong; Zhang, Guoqing; Sun, Daofeng","1D zigzag chain vs. 1D helical chain: the role of the supramolecular interactions on the formation of chiral architecture","CrystEngComm","2010","12","2","337","","10.1039/b917264p","","","0.71073","MoKα","","0.0518","0.0383","","","0.0986","0.1068","","","","","","1.053","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7212104","6.5621","0.0009","6.5621","0.0009","11.954","0.002","90","","90","","90","","514.75","0.13","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- Lu2 O7 Si2 -","- Lu2 O7 Si2 -","- Lu8 O28 Si8 -","4","0.5","","Wang, Chao; Liu, Xiaoyang; Fleet, M. E.; Li, Jixue; Feng, Shouhua; Xu, Ruren; Jin, Zhenmin","Helical chain observed under transmission electron microscope: Synthesis and structure refinement of lutetium disilicate Lu2Si2O7","CrystEngComm","2010","12","5","1617","","10.1039/b919658g","","","0.71073","MoKα","","0.0517","0.0379","","","0.075","0.0815","","","","","","1.064","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212309","20.007","0.003","20.007","0.003","28.168","0.006","90","","90","","90","","11275","3","223","2","223","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C130 H93 N9 O25 Zn6 -","- C130 H93 N9 O25 Zn6 -","- C520 H372 N36 O100 Zn24 -","4","0.5","","Liu, Dong; Ren, Zhi-Gang; Li, Hong-Xi; Chen, Yang; Wang, Jing; Zhang, Yong; Lang, Jian-Ping","pH-dependent solvothermal formation of two different 3D multiple interpenetrating nets from the same components of Zn(NO3)2, 1,3-benzenedicarboxylate and 1,4-bis[2-(4-pyridyl)ethenyl]benzene","CrystEngComm","2010","12","6","1912","","10.1039/b924647a","","","0.71073","MoKα","","0.1165","0.0987","","","0.2316","0.2428","","","","","","1.176","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212982","13.9032","0.0005","13.9032","0.0005","23.9326","0.0012","90","","90","","90","","4626.1","0.3","298","2","298","2","","","","","","","see text","3","P 43 21 2","P 4nw 2abw","96","Tetraethyl-ET","Bis(1,2-diethyl-ethylenedithio)tetrathiafulvalene","","- C18 H24 S8 -","- C18 H24 S8 -","- C144 H192 S64 -","8","1","","Kini, Aravinda M.; Parakka, James P.; Geiser, Urs; Wang, Hsien-Hau; Rivas, Felix; DiNino, Ernest; Thomas, Seddon; Dudek, James D.; Williams, Jack M.","Tetraalkyl- and dialkyl-substituted BEDT-TTF derivatives and their cation-radical salts: synthesis, structure, and properties","Journal of Materials Chemistry","1999","9","4","883","","10.1039/a809132c","","","0.71073","MoKα","","0.0819","0.0501","","0.1002","0.0898","","","","1.083","1.16","1.16","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7213333","17.865","0.003","17.865","0.003","17.263","0.004","90","","90","","90","","5509.6","1.8","120","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","11,23-dibromo- 25,26,27,28-tetrapropoxycalix[4]arene- 5,17-dicarboxylic acid bis-diethylamine salt","","- C53 H73 Br2 Cl2 N3 O8 -","- C53.02 H73.02 Br2 Cl1.976 N3.012 O8 -","- C212.08 H292.08 Br8 Cl7.904 N12.048 O32 -","4","0.5","","Krebs, Frederik C.; Jørgensen, Mikkel","Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1935","","10.1039/b002409k","","","0.71073","MoKα","","0.0507","0.0426","","","0.1276","0.135","","","","","","1.074","","","","has coordinates,has disorder","180464","2020-10-21","18:00:00",""
"7215499","11.5361","0.0003","11.5361","0.0003","37.3168","0.0019","90","","90","","90","","4966.2","0.3","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H23 N3 O5 Zn -","- C26.994 H22 N3 O5 Zn -","- C215.952 H176 N24 O40 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.0543","0.0429","","","0.0982","0.1029","","","","","","1.059","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215500","11.5806","0.0003","11.5806","0.0003","34.904","0.002","90","","90","","90","","4681","0.3","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C192 H128 N16 O32 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.0483","0.0404","","","0.1283","0.134","","","","","","1.053","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215501","11.6638","0.0004","11.6638","0.0004","36.79","0.003","90","","90","","90","","5005.1","0.5","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H24 N2 O5 Zn -","- C25.2 H16 N2 O4.4 Zn -","- C201.6 H128 N16 O35.2 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.1152","0.0917","","","0.2524","0.2739","","","","","","1.043","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7216454","10.3404","0.0003","10.3404","0.0003","9.4021","0.0007","90","","90","","90","","1005.31","0.09","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C2 H8 Al Ge3 N O8 -","- C2 H8 Al Ge3 N O8 -","- C8 H32 Al4 Ge12 N4 O32 -","4","0.5","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.0271","0.0253","","","0.0756","0.0765","","","","","","1.125","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7219040","24.3004","0.0005","24.3004","0.0005","17.1699","0.0005","90","","90","","90","","10139","0.4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C51 H79 Cu N5 O12 -","- C36 H24 Cu O7 -","- C288 H192 Cu8 O56 -","8","1","","Tanaka, K.; Yanamoto, D.; Yoshimura, K.; Anami, T.; Urbanczyk-Lipkowska, Z.","Interpenetrated and non-interpenetrated homochiral metal‒organic frameworks based on (R)-2,2′-dihydroxy-1,1′-binaphthyl-5,5′-dibenzoic acid","CrystEngComm","2015","17","6","1291","","10.1039/C4CE02210F","","","1.54178","CuKα","","0.0682","0.0626","","","0.1822","0.194","","","","","","1.036","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7221513","9.622","","9.622","","17.188","","90","","90","","90","","1591.31","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(Sn (C H3)2 S)3","","- C6 H18 S3 Sn3 -","- C6 H18 S3 Sn3 -","- C24 H72 S12 Sn12 -","4","0.5","","Singh, N.; Bhattacharya, S.; Mayer, P.; Noeth, H.","Synthesis, characterization and reactivity of a diorganotin thiocarboxylate: dimethyl(thioacetato)-tin(IV) chloride and its reactions with nucleophiles exhibiting desulfurization","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2009","64","","116","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","151664","2020-10-21","18:00:00",""
"7221526","5.9164","","5.9164","","6.9555","","90","","90","","90","","243.469","","","","","","","","","","","","","1","P 43 21 2","P 4nw 2abw","96","","","","- Ge -","- Ge -","- Ge12 -","12","1.5","","Wosylus, A.; Prots', Yu.; Hanfland, M.; Schnelle, W.; Schwarz, U.","Crystal structure refinement of Ge(tP12), physical properties and pressure-induced phase transformation Ge(tP12)<‒>Ge(tI4)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2008","63","","608","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221742","10.2252","0.0002","10.2252","0.0002","50.0545","0.001","90","","90","","90","","5233.43","0.18","123.01","0.1","123.01","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H28 Co N5 O3 -","- C28 H28 Co N5 O3 -","- C224 H224 Co8 N40 O24 -","8","1","","Das, Mithun; Ghosh, Biswa Nath; Bauza, Antonio; Rissanen, Kari; Frontera, Antonio; Chattopadhyay, Shouvik","Observation of novel oxygen•••oxygen interaction in supramolecular assembly of cobalt(III) Schiff base complexes: A combined experimental and computational study","RSC Adv.","2015","","","","","10.1039/C5RA13960K","","","1.54184","CuKα","","0.0442","0.0403","","","0.0927","0.094","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221975","8.459","0.0001","8.459","0.0001","27.3117","0.0005","90","","90","","90","","1954.28","0.05","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Br2 Hg N4 O2 -","- C16 H18 Br2 Hg N4 O2 -","- C64 H72 Br8 Hg4 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0456","0.0317","","","0.0555","0.0585","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221977","8.5784","0.0001","8.5784","0.0001","27.9769","0.0005","90","","90","","90","","2058.79","0.05","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Hg I2 N4 O2 -","- C16 H18 Hg I2 N4 O2 -","- C64 H72 Hg4 I8 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0527","0.0291","","","0.0461","0.0512","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222805","7.6992","","7.6992","","14.123","","90","","90","","90","","837.179","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(La1.72 Lu2.28) Lu Si4","","- La1.72 Lu3.28 Si4 -","- La1.718 Lu3.282 Si4 -","- La6.872 Lu13.128 Si16 -","4","0.5","","Rodewald, U.C.; Heying, B.; Poettgen, R.; Johrendt, D.; Hoffmann, R.D.","Ternary rare earth metal silicides RE2 RE'3 Si4 with orthorhombic Sm5 Ge4 or tetragonal Zr5 Si4 type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","174","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","165044","2020-10-21","18:00:00",""
"7222808","7.788","","7.788","","14.36","","90","","90","","90","","870.976","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(Ce1.71 Y2.29) Y Si4","","- Ce1.71 Si4 Y3.29 -","- Ce1.71 Si4 Y3.29 -","- Ce6.84 Si16 Y13.16 -","4","0.5","","Rodewald, U.C.; Heying, B.; Poettgen, R.; Johrendt, D.; Hoffmann, R.D.","Ternary rare earth metal silicides RE2 RE'3 Si4 with orthorhombic Sm5 Ge4 or tetragonal Zr5 Si4 type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","174","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","165055","2020-10-21","18:00:00",""
"7222909","5.997","","5.997","","39.191","","90","","90","","90","","1409.46","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","C4 O2 I2","","- C4 I2 O2 -","- C4 I2 O2 -","- C32 I16 O16 -","8","1","","Lunelli, B.; Monari, M.","Molecular and crystal structure of two cyclobuten-3,4-dione derivatives: The dithallium salt of 1,2-dicyanimino-(Tl2CMCB) and the 1,2-Diiodocyclobuten-3,4-Dione (I2CB)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1989","44","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","167331","2020-10-21","18:00:00",""
"7224628","8.3899","0.0007","8.3899","0.0007","27.226","0.002","90","","90","","90","","1916.4","0.3","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H10 N O2 S -","- C10 H10 N O2 S -","- C80 H80 N8 O16 S8 -","8","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","0.71073","MoKα","","0.0286","0.0271","","","0.0719","0.0729","","","","","","1.101","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7225057","8.2486","0.0003","8.2486","0.0003","65.782","0.004","90","","90","","90","","4475.8","0.4","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C108 H80 Er4 N12 O24 -","- C108 H80 Er4 N12 O24 -","- C216 H160 Er8 N24 O48 -","2","0.25","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0288","0.0278","","","0.0802","0.0808","","","","","","1.072","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7226143","23.68444","0.00016","23.68444","0.00016","46.9716","0.0004","90","","90","","90","","26348.8","0.3","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C112 H108 Co2 N16 O4 S4 -","- C112 H108 Co2 N16 O4 S4 -","- C896 H864 Co16 N128 O32 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.1171","0.0894","","","0.2652","0.2836","","","","","","1.035","","","","has coordinates,has disorder","185039","2020-10-21","18:00:00",""
"7226566","12.1013","0.0003","12.1013","0.0003","24.5291","0.0009","90","","90","","90","","3592.08","0.18","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C36 H40 N6 O7 -","- C36 H34 N6 O7 -","- C144 H136 N24 O28 -","4","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.1147","0.0999","","","0.3109","0.3351","","","","","","1.079","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7227403","10.145","0.003","10.145","0.003","31.351","0.011","90","","90","","90","","3226.7","1.8","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H22 N O5 P -","- C14 H22 N O5 P -","- C112 H176 N8 O40 P8 -","8","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.0613","0.0548","","","0.1045","0.1077","","","","","","1.087","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227775","12.115","0.012","12.115","0.012","12.641","0.012","90","","90","","90","","1855","3","296","2","296.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C23 H15 Cl F N -","- C23 H15 Cl F N -","- C92 H60 Cl4 F4 N4 -","4","0.5","","Mao, Zhong-Yuan; Liao, Xiao-Yun; Wang, Heng-Shan; Wang, Chun-Gu; Huang, Ke-Bin; Pan, Ying-Ming","Acid-catalyzed tandem reaction for the synthesis of pyridine derivatives via CC/C(sp3)‒N bond cleavage of enones and primary amines","RSC Adv.","2017","7","22","13123","","10.1039/C7RA00780A","","","0.71073","MoKα","","0.0398","0.0343","","","0.0856","0.0902","","","","","","1.08","","","","has coordinates,has disorder","192747","2020-10-21","18:00:00",""
"7228004","14.0656","0.0005","14.0656","0.0005","15.9629","0.0011","90","","90","","90","","3158.1","0.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C21 H14 N8 O6 Zn2 -","- C21 H16 N8 O6 Zn2 -","- C84 H64 N32 O24 Zn8 -","4","0.5","","Tang, Yu-Huan; Wu, Xin; Wang, Fei; Zhang, Jian","Sythesis of Zeolite-like Metal-organic Frameworks from a Dual-ligand Strategy","CrystEngComm","2017","","","","","10.1039/C7CE00332C","","","0.71073","MoKα","","0.0594","0.0548","","","0.1615","0.1663","","","","","","1.061","","","","has coordinates","195226","2020-10-21","18:00:00",""
"7228178","14.2","0.002","14.2","0.002","17.207","0.003","90","","90","","90","","3469.6","0.9","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H32 N8 O11 Sr -","- C28 H32 N8 O11 Sr -","- C112 H128 N32 O44 Sr4 -","4","0.5","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0834","0.0536","","","0.1314","0.1457","","","","","","1.061","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228211","21.838","0.003","21.838","0.003","14.721","0.003","90","","90","","90","","7020","2","100","2","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H22 Cd N4 O9 -","- C30 H22 Cd N4 O9 -","- C240 H176 Cd8 N32 O72 -","8","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0239","0.0235","","","0.0622","0.0624","","","","","","1.105","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7229201","9.46401","0.00016","9.46401","0.00016","25.7682","0.0007","90","","90","","90","","2307.99","0.08","130","2","130","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H16 Br8 N2 Te -","- C12 H16 Br8 N2 Te -","- C48 H64 Br32 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0236","0.0199","","","0.0337","0.0346","","","","","","1.054","","","","has coordinates","201010","2020-10-21","18:00:00",""
"7231045","9.9154","0.0008","9.9154","0.0008","21.343","0.002","90","","90","","90","","2098.3","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0217","0.0191","","","0.0485","0.0505","","","","","","1.092","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231046","9.9138","0.0003","9.9138","0.0003","21.3276","0.0008","90","","90","","90","","2096.15","0.12","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0204","0.0203","","","0.0538","0.0539","","","","","","1.143","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231047","9.9041","0.0003","9.9041","0.0003","21.3545","0.0007","90","","90","","90","","2094.69","0.11","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0197","0.0197","","","0.0507","0.0507","","","","","","1.134","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231048","9.8663","0.0006","9.8663","0.0006","21.1146","0.0017","90","","90","","90","","2055.4","0.2","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0187","0.0178","","","0.0473","0.0477","","","","","","1.137","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231050","9.8592","0.0004","9.8592","0.0004","21.122","0.001","90","","90","","90","","2053.14","0.15","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0162","0.016","","","0.044","0.0442","","","","","","1.129","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231813","9.9401","0.0014","9.9401","0.0014","19.673","0.004","90","","90","","90","","1943.8","0.6","200","","200","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","5","","","- C9.5 H11 B0.5 Cl0.5 F2 N -","- C9.5 H11 B0.5 Cl0.5 F2 N -","- C76 H88 B4 Cl4 F16 N8 -","8","1","","Tripathi, Monika; Regnier, Vianney; Ziani, Zakaria; Devillard, Marc; Philouze, Christian; Martin, David","Metal free oxidation of vinamidine derivatives: a simple synthesis of α-keto-β-diimine ligands","RSC Advances","2018","8","67","38346","","10.1039/C8RA08220K","","x-ray","0.71073","MoKα","","0.0437","0.0336","","","0.0862","0.0938","","","","","","1.068","","","","has coordinates","211971","2020-10-21","18:00:00",""
"7232686","8.941","0.0002","8.941","0.0002","54.361","0.002","90","","90","","90","","4345.7","0.2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","N-(triphenylacetyl)-L-methionine","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C200 H200 N8 O24 S8 -","8","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0786","0.0645","","","0.1107","0.1158","","","","","","1.122","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7234031","8.848","0.0012","8.848","0.0012","24.929","0.005","90","","90","","90","","1951.6","0.5","300","2","300","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H11 Cu N O3 -","- C10 H11 Cu N O3 -","- C80 H88 Cu8 N8 O24 -","8","1","","Muthukumar, Pandi; Moon, Dohyun; Anthony, Savarimuthu Philip","The Co2+/Ni2+ ion-mediated formation of a topochemically converted copper coordination polymer: structure-dependent electrocatalytic activity","CrystEngComm","2019","21","43","6552","","10.1039/C9CE01178A","","","0.63","synchrotron","","0.0278","0.0276","","","0.0777","0.0779","","","","","","1.056","","","","has coordinates","223539","2020-10-21","18:00:00",""
"7234502","12.79416","0.00014","12.79416","0.00014","44.6986","0.0008","90","","90","","90","","7316.74","0.17","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C40 H24 Cl2 Cu N6 O2 -","- C40 H24 Cl2 Cu N6 O2 -","- C320 H192 Cl16 Cu8 N48 O16 -","8","1","","Nan Li; Honglian Feng; Qian Gong; Chunxiao Wu; Hao Zhou; Zhiyan Huang; Jun Yang; Xiaohua Chen; Na Zhao","BINOL-based chiral aggregation-induced emission luminogens and their application in detecting copper(ii) ions in aqueous media","Journal of Materials Chemistry C","2015","3","","11458","11463","10.1039/C5TC02778K","","","1.54184","CuKα","","0.0506","0.0367","","","0.0775","0.0811","","","","","","0.955","","","","has coordinates","219200","2020-10-21","18:00:00",""
"7234859","10.7413","0.0003","10.7413","0.0003","20.7748","0.0013","90","","90","","90","","2396.9","0.18","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 Cd0.5 N3 O -","- C12 H8 Cd0.5 N3 O -","- C96 H64 Cd4 N24 O8 -","8","1","","Wu, Yuandi; Lin, Meihua; Liu, Dongyang; Liu, Ming; Qian, Jing","Two-dimensional Cd(ii) coordination polymer encapsulated by Tb3+ as a reversible luminescent probe for Fe3+","RSC Advances","2019","9","60","34949","","10.1039/C9RA06639J","","","0.71073","MoKα","","0.0244","0.024","","","0.062","0.0623","","","","","","1.069","","","","has coordinates","220532","2020-10-21","18:00:00",""
"7236695","9.9937","0.0002","9.9937","0.0002","64.144","0.004","90","","90","","90","","6406.3","0.4","298","2","298","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C56 H86 N8 O14 -","- C56 H86 N8 O14 -","- C224 H344 N32 O56 -","4","0.5","","Podder, Debasish; Bera, Santu; Debnath, Mintu; Das, Tanmay; Haldar, Debasish","Formation of toroids by self-assembly of an α‒α corner mimetic: supramolecular cyclization","Journal of Materials Chemistry B","2017","5","36","7583","","10.1039/C7TB01711A","","x-ray","0.71073","MoKα","","0.0873","0.066","","","0.1601","0.1727","","","","","","1.091","","","","has coordinates","236434","2020-10-21","18:00:00",""
"7238258","10.7037","0.0015","10.7037","0.0015","15.839","0.003","90","","90","","90","","1814.7","0.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H12 Cd N10 O2 -","- C16 H12 Cd N10 O2 -","- C64 H48 Cd4 N40 O8 -","4","0.5","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0296","0.0292","","","0.0552","0.0553","","","","","","1.23","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238564","17.103","0.002","17.103","0.002","7.1526","0.0014","90","","90","","90","","2092.2","0.5","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H12 Cl2 Hg N12 O2 -","- C16 H12 Cl2 Hg N12 O2 -","- C64 H48 Cl8 Hg4 N48 O8 -","4","0.5","","Li, Yun-Wu; Tao, Ying; Wang, Li-Fu; Hu, Tong-Liang; Bu, Xian-He","New chiral coordination polymers constructed from well elaborated achiral and chiral ligands","RSC Advances","2012","2","10","4348","","10.1039/c2ra00046f","","","0.71073","MoKα","","0.0253","0.0225","","","0.0391","0.0396","","","","","","1.171","","","","has coordinates","244234","2020-10-21","18:00:00",""
"7239523","13.4641","0.0002","13.4641","0.0002","23.3751","0.0004","90","","90","","90","","4237.48","0.11","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H7 N O4 Zn -","- C13 H7 N O4 Zn -","- C104 H56 N8 O32 Zn8 -","8","1","","Liu, Bo; Li, Yuanpu; Hou, Lei; Yang, Guoping; Wang, Yao-Yu; Shi, Qi-Zhen","Dynamic Zn-based metal‒organic framework: stepwise adsorption, hysteretic desorption and selective carbon dioxide uptake","Journal of Materials Chemistry A","2013","1","22","6535","","10.1039/c3ta10918f","","","1.54178","CuKα","","0.0744","0.0736","","","0.2395","0.2402","","","","","","1.226","","","","has coordinates","244745","2020-10-21","18:00:00",""
"7239530","17.9218","0.0008","17.9218","0.0008","11.2184","0.0008","90","","90","","90","","3603.2","0.3","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H3 In0.5 O4 -","- C8 H3 In0.5 O4 -","- C64 H24 In4 O32 -","8","1","","Qian, Jinjie; Jiang, Feilong; Yuan, Daqiang; Li, Xingjun; Zhang, Linjie; Su, Kongzhao; Hong, Maochun","Increase in pore size and gas uptake capacity in indium-organic framework materials","Journal of Materials Chemistry A","2013","1","32","9075","","10.1039/c3ta11548h","","","0.71073","MoKα","","0.0235","0.0228","","","0.0663","0.0665","","","","","","1.133","","","","has coordinates","244749","2020-10-21","18:00:00",""
"7239886","9.2138","0.0002","9.2138","0.0002","25.0947","0.0008","90","","90","","90","","2130.39","0.09","140","2","140","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H16 Br2 Cl6 N2 Te -","- C12 H16 Br2 Cl6 N2 Te -","- C48 H64 Br8 Cl24 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0315","0.0271","","","0.0412","0.0422","","","","","","1.063","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239893","10.434","0.001","10.434","0.001","20.752","0.005","90","","90","","90","","2259.2","0.6","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C3.43 H2.29 N0.86 O0.29 Zn0.14 -","- C3.42857 H2.28571 N0.857143 O0.285714 Zn0.142857 -","- C96 H64 N24 O8 Zn4 -","28","3.5","","Wu, Yuandi; Liu, Dongyang; Lin, Meihua; Qian, Jing","Zinc(ii)-based coordination polymer encapsulated Tb3+ as a multi-responsive luminescent sensor for Ru3+, Fe3+, CrO42−, Cr2O72− and MnO4−","RSC Advances","2020","10","10","6022","6029","10.1039/C9RA09541A","","","0.71073","MoKα","","0.0406","0.031","","","0.0687","0.073","","","","","","1.04","","","","has coordinates","257968","2020-10-21","18:00:00",""
"7239964","19.365","0.003","19.365","0.003","52.561","0.004","90","","90","","90","","19711","5","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C36 H72 N12 O56.5 Rh4 S15 Zn4 -","- C36 H72 N12 O56.5 Rh4 S15 Zn4 -","- C288 H576 N96 O452 Rh32 S120 Zn32 -","8","1","","Yamashita, Ukyo; Yoshinari, Nobuto; Sodkhomkhum, Rapheepraew; Meundaeng, Natthaya; Konno, Takumi","Hydrogen-bonded metallosupramolecular helices composed of a nona-protonated spherical RhIII4ZnII4 cluster with twelve carboxylate arms","CrystEngComm","2020","","","","","10.1039/D0CE00133C","","","0.4248","synchrotron","","0.0396","0.0386","","","0.1091","0.1099","","","","","","1.075","","","","has coordinates,has disorder","248303","2020-10-21","18:00:00",""
"7240126","24.951","0.003","24.951","0.003","34.647","0.005","90","","90","","90","","21570","5","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C84 H90 N12 O6 -","- C84 H90 N12 O6 -","- C672 H720 N96 O48 -","8","1","","Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei","A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks","Green Chemistry","2020","22","8","2498","2504","10.1039/C9GC04033A","","","0.71073","synchrotronMonochr","","0.1283","0.1126","","","0.2724","0.2831","","","","","","1.076","","","","has coordinates","257580","2020-10-21","18:00:00",""
"7240128","15.7706","0.0004","15.7706","0.0004","23.9901","0.0014","90","","90","","90","","5966.6","0.4","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C62 H80 N8 O8 -","- C62 H80 N8 O8 -","- C248 H320 N32 O32 -","4","0.5","","Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei","A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks","Green Chemistry","2020","22","8","2498","2504","10.1039/C9GC04033A","","","0.71073","MoKα","","0.0579","0.0474","","","0.1117","0.1167","","","","","","1.052","","","","has coordinates","257580","2020-10-21","18:00:00",""
"7240807","11.2054","0.0001","11.2054","0.0001","83.0175","0.0009","90","","90","","90","","10423.8","0.17","200","2","200","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H35 Cl2 N4 O2.5 -","- C22 H35 Cl2 N4 O2.5 -","- C352 H560 Cl32 N64 O40 -","16","2","","Esteve, Ferran; Altava, Belén; Burguete, M. Isabel; Bolte, Michael; García-Verdugo, Eduardo; Luis, Santiago V.","Pseudopeptidic macrocycles as cooperative minimalistic synzyme systems for the remarkable activation and conversion of CO2 in the presence of the chloride anion","Green Chemistry","2020","22","14","4697","4705","10.1039/D0GC01449D","","","1.54184","CuKα","","0.0748","0.07","","","0.1758","0.1783","","","","","","1.108","","","","has coordinates,has disorder","257613","2020-10-21","18:00:00",""
"7244165","10.1318","0.0005","10.1318","0.0005","39.042","0.004","90","","90","","90","","4007.8","0.5","293","2","293.15","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C208 H176 N16 O8 -","8","1","","Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang","Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene.","Physical chemistry chemical physics : PCCP","2022","24","4","1960","1964","10.1039/d1cp05303e","","x-ray","0.71073","MoKα","","0.1054","0.0564","","","0.0913","0.1058","","","","","","0.996","","","","has coordinates","272783","2022-02-04","20:03:59",""
"7246563","14.0756","0.0016","14.0756","0.0016","26.584","0.004","90","","90","","90","","5266.9","1.2","273.15","","273.15","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","A12","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C224 H296 N8 O24 -","8","1","","Kornsakulkarn, Jittra; Auncharoen, Patchanee; Khonsanit, Artit; Boonyuen, Nattawut; Thongpanchang, Chawanee","Cytotoxic cytochalasans from cultures of the fungus Metarhizium brunneum TBRC-BCC 79240","RSC Advances","2023","13","16","10564","10576","10.1039/D3RA00042G","","x-ray","1.54178","CuKα","K-L~3~","0.0639","0.062","","","0.1663","0.1702","","","","","","1.095","","","","has coordinates","282364","2023-04-05","01:15:02",""
"7247109","6.692","0.0002","6.692","0.0002","13.0305","0.0007","90","","90","","90","","583.54","0.04","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- Ca O3 P -","- Ca O3 P -","- Ca8 O24 P8 -","8","1","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0251","0.0243","","","0.0654","0.0659","","","","","","1.133","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247453","8.0784","0.0006","8.0784","0.0006","32.831","0.005","90","","90","","90","","2142.6","0.4","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0308","0.0302","","","0.0768","0.0772","","","","","","1.095","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7248036","11.7266","0.0006","11.7266","0.0006","21.9372","0.0016","90","","90","","90","","3016.7","0.3","150","","150.15","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","matrine-h2o","","- C15 H27.5 N2 O2.75 -","- C15 H26 N2 O2 -","- C120 H208 N16 O16 -","8","1","","Zhu, Yujing; Shi, Xiaoju; Li, Duanxiu; Li, Shuang; Wang, Lin; Deng, Zongwu; Huang, Shaohua; Zhang, Hailu","Sustained release of matrine via salt formation with hesperetin","CrystEngComm","2024","26","8","1090","1098","10.1039/D3CE01129A","","","1.34139","GaKα","","0.0412","0.0339","","","0.0787","0.0826","","","","","","1.035","","","","has coordinates","290141","2024-03-04","20:06:37",""
"7248609","8.1484","0.0002","8.1484","0.0002","26.8449","0.0011","90","","90","","90","","1782.41","0.1","172.8","0.2","172.8","0.2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C5 H13 Cl N2 O4 -","- C5 H13 Cl N2 O4 -","- C40 H104 Cl8 N16 O32 -","8","1","","Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang","A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution","CrystEngComm","2024","26","22","2883","2890","10.1039/D4CE00023D","","x-ray","0.71073","MoKα","","0.0457","0.0407","","","0.1015","0.105","","","","","","1.043","","","","has coordinates,has disorder","292941","2024-07-05","15:18:40",""
"7702100","9.141","0.0004","9.141","0.0004","20.5742","0.0018","90","","90","","90","","1719.14","0.18","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C8 H20 Cl4 Nb S4 -","- C8 H20 Cl4 Nb S4 -","- C32 H80 Cl16 Nb4 S16 -","4","0.5","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0326","0.0266","","","0.0558","0.0577","","","","","","1.038","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702649","10.2652","0.0015","10.2652","0.0015","38.177","0.008","90","","90","","90","","4022.9","1.2","110","2","110","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","1,4-bis(bis(PEt3)platinumiodide)benzene","","","- C30 H64 I2 P4 Pt2 -","- C30 H64 I2 P4 Pt2 -","- C120 H256 I8 P16 Pt8 -","4","0.5","","Gardinier, James R.; Clérac, Rodolphe; Gabbaï, François P.","Preparation, structural studies, and magnetic properties of coordination complexes of bimetallic arylplatinum compounds and pyridyl nitronyl nitroxide radicals","Journal of the Chemical Society, Dalton Transactions","2001","","23","3453","","10.1039/b104579m","","","0.71073","MoKα","","0.0316","0.031","","","0.0755","0.0759","","","","","","1.155","","","","has coordinates","243936","2020-10-21","18:00:00",""
"7702796","9.976","0.0002","9.976","0.0002","17.4881","0.0004","90","","90","","90","","1740.43","0.06","120","0.1","120","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C8 H20 Cl4 Hf S4 -","- C8 H20 Cl4 Hf S4 -","- C32 H80 Cl16 Hf4 S16 -","4","0.5","","Hart, Richard; Levason, William; Patel, Bhavesh; Reid, Gillian","Synthesis, properties and crystal structures of 6-, 7- and 8-coordinate Zr(iv) and Hf(iv) complexes involving thioether and selenoether ligands","Journal of the Chemical Society, Dalton Transactions","2002","","16","3153","","10.1039/b201080c","","","0.71073","MoKα","","0.0799","0.08","","0.109","","0.109","","","2.868","","","2.87","","","","has coordinates","244018","2020-10-21","18:00:00",""
"7705866","10.7928","0.0003","10.7928","0.0003","49.2053","0.0011","90","","90","","90","","5731.7","0.3","103","","103","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C31 H24.5 Br2 Mn N2.5 O4 -","- C31 H24.5 Br2 Mn N2.5 O4 -","- C248 H196 Br16 Mn8 N20 O32 -","8","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.1819","0.0749","","","0.1182","0.1451","","","","","","1.005","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7706666","13.8634","0.0002","13.8634","0.0002","23.734","0.0004","90","","90","","90","","4561.53","0.12","100","2","100","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C54 H38 B2 F2 N2 O4 S Si2 -","- C54.002 H38.002 B2 F2 N2 O4 S1.001 Si2 -","- C216.008 H152.008 B8 F8 N8 O16 S4.004 Si8 -","4","0.5","","Podda, Enrico; Coles, Simon J.; Horton, Peter N.; Lickiss, Paul D.; Bull, Okpara S.; Orton, James B.; Pintus, Anna; Pugh, David; Carla Aragoni, M.; Davies, Robert P.","First example of solid-state luminescent borasiloxane-based chiral helices assembled through N-B bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3782","3785","10.1039/d1dt00114k","","x-ray","0.71075","MoKα","","0.0474","0.0368","","","0.0794","0.0837","","","","","","1.028","","","","has coordinates,has disorder","263770","2021-04-05","14:52:38",""
"7708543","14.117","0.0001","14.117","0.0001","27.4755","0.0003","90","","90","","90","","5475.58","0.08","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C30 H30 Cl N5 O Pt -","- C30 H30 Cl N5 O Pt -","- C240 H240 Cl8 N40 O8 Pt8 -","8","1","","Dobrynin, Mikhail V.; Kasatkina, Svetlana; Baykov, Sergey; Savko, Polina; Antonov, Nikita; Mikherdov, Alexander S.; Boyarskiy, Vadim; Islamova, Regina M.","Deprotonated diaminocarbene platinum complexes for thermoresponsive luminescent silicone materials: both catalysts and luminophores","Dalton Transactions","2021","","","","","10.1039/D1DT02823E","","x-ray","1.54184","CuKα","","0.0372","0.0354","","","0.0822","0.0832","","","","","","1.045","","","","has coordinates","269892","2021-10-11","22:59:11",""
"7709501","14.076","0.0001","14.076","0.0001","13.5004","0.0002","90","","90","","90","","2674.89","0.05","100","0.1","100","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H36 Cl2 N2 Se -","- C27 H36 Cl2 N2 Se -","- C108 H144 Cl8 N8 Se4 -","4","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0353","0.0295","","","0.0654","0.068","","","","","","1.043","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7710309","17.674","0.0007","17.674","0.0007","12.5284","0.0006","90","","90","","90","","3913.5","0.3","400","2","398.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H52 Cl4 Fe2 N12 S4 -","- C76 H52 Cl4 Fe2 N12 S4 -","- C152 H104 Cl8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0921","0.0523","","","0.1217","0.1466","","","","","","1.049","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710312","17.7562","0.0015","17.7562","0.0015","12.5703","0.0013","90","","90","","90","","3963.2","0.6","450","2","450.02","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H52 Cl4 Fe2 N12 S4 -","- C76 H52 Cl4 Fe2 N12 S4 -","- C152 H104 Cl8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.129","0.081","","","0.1783","0.2117","","","","","","1.124","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710314","17.615","0.0006","17.615","0.0006","12.2291","0.0005","90","","90","","90","","3794.5","0.2","300","2","298.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H52 Cl4 Fe2 N12 S4 -","- C76 H52 Cl4 Fe2 N12 S4 -","- C152 H104 Cl8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0498","0.0384","","","0.0873","0.0929","","","","","","1.023","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710317","17.6439","0.0007","17.6439","0.0007","12.2291","0.0005","90","","90","","90","","3807","0.3","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C38 H26 Cl2 Fe N6 S2 -","- C38 H26 Cl2 Fe N6 S2 -","- C152 H104 Cl8 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","x-ray","0.71073","MoKα","","0.0609","0.0372","","","0.0726","0.0828","","","","","","1.028","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710320","17.586","0.003","17.586","0.003","12.194","0.002","90","","90","","90","","3771.2","1.1","250","2","250.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H52 Cl4 Fe2 N12 S4 -","- C76 H52 Cl4 Fe2 N12 S4 -","- C152 H104 Cl8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0403","0.0324","","","0.0691","0.0726","","","","","","1.049","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710321","17.656","0.0007","17.656","0.0007","12.386","0.0006","90","","90","","90","","3861.1","0.3","350","2","348.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H52 Cl4 Fe2 N12 S4 -","- C76 H52 Cl4 Fe2 N12 S4 -","- C152 H104 Cl8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0632","0.0424","","","0.0936","0.1065","","","","","","1.04","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710323","17.4989","0.0011","17.4989","0.0011","12.1221","0.0011","90","","90","","90","","3711.9","0.5","150","2","149.99","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H52 Cl4 Fe2 N12 S4 -","- C76 H52 Cl4 Fe2 N12 S4 -","- C152 H104 Cl8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0498","0.0354","","","0.0706","0.0741","","","","","","0.969","","","","has coordinates","276618","2022-07-06","08:10:00",""
"7710360","16.9119","0.0002","16.9119","0.0002","28.5448","0.0006","90","","90","","90","","8164.2","0.2","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C66 H151 Li3 N10 Si6 U2 -","- C66 H151 Li3 N10 Si6 U2 -","- C264 H604 Li12 N40 Si24 U8 -","4","0.5","","King, David M.; Atkinson, Benjamin E.; Chatelain, Lucile; Gregson, Matthew; Seed, John A.; Wooles, Ashley J.; Kaltsoyannis, Nikolas; Liddle, Stephen T.","Uranium–nitride chemistry: uranium–uranium electronic communication mediated by nitride bridges","Dalton Transactions","2022","","","","","10.1039/D2DT00998F","","x-ray","1.54184","CuKα","","0.0271","0.024","","","0.055","0.0564","","","","","","1.018","","","","has coordinates","275674","2022-05-27","22:49:06",""
"7710554","21.2718","0.0009","21.2718","0.0009","52.873","0.002","90","","90","","90","","23924.5","1.7","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C68 H72 Br2 Co2 P4 -","- C68 H72 Br2 Co2 P4 -","- C1088 H1152 Br32 Co32 P64 -","16","2","","Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.","Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts","Dalton Transactions","2022","","","","","10.1039/D2DT01484J","","x-ray","0.71073","MoKα","","0.0982","0.0693","","","0.15","0.1638","","","","","","1.078","","","","has coordinates","276207","2022-06-23","23:09:12",""
"7711549","14.4006","0.0001","14.4006","0.0001","71.412","0.0005","90","","90","","90","","14809.2","0.18","100","0.1","100","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C107 H174 Dy6 N14 O68 -","- C96 H100 Dy6 N14 O42 -","- C384 H400 Dy24 N56 O168 -","4","0.5","","Long, Bing-Fan; Li, Yun-Lan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Assembly of pinwheel/twist shaped chiral lanthanide clusters with rotor structures by annular/linear growth mechanism and their magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02653H","","x-ray","1.54184","CuKα","","0.0527","0.0449","","","0.1264","0.1311","","","","","","1.084","","","","has coordinates","278759","2022-10-24","23:14:34",""
"7717089","6.9774","0.0002","6.9774","0.0002","34.432","0.002","90","","90","","90","","1676.29","0.12","113","","113","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H13 N3 O4 U -","- C19 H13 N3 O4 U -","- C76 H52 N12 O16 U4 -","4","0.5","","Takeyama, Tomoyuki; Tsushima, Satoru; Takao, Koichiro","Controlling mixed-valence states of pyridyldiimino-bis(<i>o</i>-phenolato) ligand radical in uranyl(VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16671","16684","10.1039/d4dt01821d","","","0.71073","MoKα","","0.0661","0.0528","","","0.1049","0.1089","","","","","","1.069","","","","has coordinates","296589","2024-12-06","19:03:14",""
"7717202","12.1822","0.0004","12.1822","0.0004","30.3583","0.0016","90","","90","","90","","4505.4","0.3","294","2","294","2","","","","","","","Synthesis","5","P 43 21 2","P 4nw 2abw","96","","","","- C46 H60 Co N5 O10 -","- C46 H60 Co N5 O10 -","- C184 H240 Co4 N20 O40 -","4","0.5","","Paik, Somnath; Ray, Manabendra","A single H-bond triggers the formation of a cleft around Et<sub>3</sub>NH<sup>+</sup> through bond rearrangement and rotations of arms in both Co(III) and Fe(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17448","17451","10.1039/d4dt02515f","","x-ray","0.71073","MoKα","","0.0386","0.0326","","","0.0853","0.0925","","","","","","1.108","","","","has coordinates","296518","2024-12-06","18:24:58",""
"7717203","12.1909","0.0007","12.1909","0.0007","30.773","0.003","90","","90","","90","","4573.4","0.6","294","2","294","2","","","","","","","Synthesis","5","P 43 21 2","P 4nw 2abw","96","","","","- C46 H56 Fe N5 O10 -","- C46 H56 Fe N5 O10 -","- C184 H224 Fe4 N20 O40 -","4","0.5","","Paik, Somnath; Ray, Manabendra","A single H-bond triggers the formation of a cleft around Et<sub>3</sub>NH<sup>+</sup> through bond rearrangement and rotations of arms in both Co(III) and Fe(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17448","17451","10.1039/d4dt02515f","","x-ray","0.71073","MoKα","","0.057","0.045","","","0.1176","0.1354","","","","","","1.148","","","","has coordinates","296518","2024-12-06","18:24:59",""
"8100962","9.692","0.002","9.692","0.002","9.829","0.005","90","","90","","90","","923.3","0.5","173","2","173","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C9 H16 N2 -","- C9 H15.98 N2 -","- C36 H63.92 N8 -","4","0.5","","Norbert, Kuhn; Manfred, Steimann; Michael, Walker","Crystal structure of 4,5-diisopropylimidazole, (C~3~H~7~)~2~C~3~N~2~H~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","318","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8102046","9.7786","0.0013","9.7786","0.0013","30.975","0.004","90","","90","","90","","2961.9","0.7","291","1","291","1","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","N,N,N',N',N"",N""-hexakis-(2-methylallyl)-[1,3,5]-triazin-2,4,6-triamine","","- C27 H42 N6 -","- C27 H42 N6 -","- C108 H168 N24 -","4","0.5","","Ricken, S.; Koç, F.; Schürmann, M.; Preut, H.; Eilbracht, P.","Crystal structure of N,N,N',N',N'',N''-hexakis(2-methylallyl)-[1,3, 5]-triazin-2,4,6-triamine, C~27~H~42~N~6~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","455","456","","","","0.71073","MoKα","","0.2658","0.0351","","","0.0526","0.0807","","","","","","1.115","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102709","11.1942","0.0007","11.1942","0.0007","29.877","0.004","90","","90","","90","","3743.9","0.6","296","2","296","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C13 H22 Ag I0 N O0 S4 W -","- C13 H22 Ag N S4 W -","- C104 H176 Ag8 N8 S32 W8 -","8","1","","Guo-Dong Tang; Jian-Ying Zhao; Zheng-Jing Jiang","Crystal structure of benzyltriethylammonium catena-(tetrakis-m2-sulfido)silver(I)-tungsten(VI), [C13H22N][AgWS4]","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","396","","","","","0.71073","MoKα","","0.042","0.0335","","","0.0626","0.0648","","","","","","1.025","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103012","6.4205","0.0009","6.4205","0.0009","9.4765","0.0019","90","","90","","90","","390.65","0.11","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","disodium dimanganate(II)","","- Mn2 Na2 O3 -","- Mn2 Na2 O3 -","- Mn8 Na8 O12 -","4","0.5","","Steffen Pfeiffer; Martin Jansen","Crystal structure of disodium dimanganate(II), Na2Mn2O3","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","2","163","","","","","0.71073","MoKα","","0.0376","0.0247","","","0.0547","0.0581","","","","","","0.828","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8104097","9.35","","9.35","","9.61","","90","","90","","90","","840.13","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Na5 (Al (O H)6) (O H)2","","- Al H8 Na5 O8 -","- Al H8 Na5 O8 -","- Al4 H32 Na20 O32 -","4","0.5","","Weinberger, M.; Schneider, M.; Gessner, W.","Crystal structure of pentanatrium hexahydroxoaluminate dihydroxide, Na5 (Al (O H)6) . (O H)2","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","236","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104312","7.586","","7.586","","8.402","","90","","90","","90","","483.513","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","H (Al Si2) O6","","- Al H O6 Si2 -","- Al0.9999 O6 Si1.9998 -","- Al3.9996 O24 Si7.9992 -","4","0.5","","Vogt, T.; Mueller, G.; Paulus, H.; Fuess, H.","The crystal structure of H Al Si2 O6 with a keatite-type framework","Zeitschrift fuer Kristallographie (149,1979-)","1990","190","","7","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104313","7.576","","7.576","","8.386","","90","","90","","90","","481.321","","","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","H.52 D.48 (Al Si2) O6","","- Al D0.48 H0.52 O6 Si2 -","- Al0.9999 D0.48 H0.52 O6 Si1.9998 -","- Al3.9996 D1.92 H2.08 O24 Si7.9992 -","4","0.5","","Vogt, T.; Paulus, H.; Mueller, G.; Fuess, H.","The crystal structure of H Al Si2 O6 with a keatite-type framework","Zeitschrift fuer Kristallographie (149,1979-)","1990","190","","7","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104884","10.9521","0.0005","10.9521","0.0005","23.3014","0.0017","90","","90","","90","","2795","0.3","200","2","200","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","<i>ortho</i>-anisaldehyde","2-methoyx benzaldehyde","","- C8 H8 O2 -","- C8 H8 O2 -","- C128 H128 O32 -","16","2","","Maritz, Marius; Hosten, Eric C.; Betz, Richard","Crystal structure of ortho-methoxy benzaldehyde, C8H8O2 – a second polymorph and deposition of 3D coordinates","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","65","67","10.1515/ncrs-2020-0427","","","0.71073","MoKα","","0.0357","0.0317","","","0.0847","0.0883","","","","","","1.058","","","","has coordinates","273999","2022-03-25","10:29:59",""
"8107274","7.2479","0.0002","7.2479","0.0002","21.6138","0.0008","90","","90","","90","","1135.42","0.06","100","0.1","100","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C3 H5 N3 O3 -","- C3 H5 N3 O3 -","- C24 H40 N24 O24 -","8","1","","Xiao, Li; Hongxia, Pan; Qiang, Liu; Lei, Gong; Lizhen, Chen; Jianlong, Wang","The crystal structure of imidazolium nitrate, C3H5O3N3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","995","996","10.1515/ncrs-2022-0348","","x-ray","1.54184","CuKα","","0.0353","0.0344","","","0.0893","0.0903","","","","","","1.103","","","","has coordinates","284091","2023-05-31","09:10:10",""
"8107522","7.4462","0.0001","7.4462","0.0001","8.5838","0.0004","90","","90","","90","","475.94","0.02","293","","293","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","keatite","","","- O6 Si3 -","- O6 Si3 -","- O24 Si12 -","4","0.5","","Grosskreuz, Isabel; Marler, Bernd","Rietveld structure analysis of keatite, a rare, metastable SiO2 polymorph","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","655","657","10.1515/ncrs-2023-0135","powder diffraction","","","CuKα","","","","","","","","","3.334","1.8253","","","","","","","has coordinates","286411","2023-09-19","09:14:50",""
"9001207","7.31","","7.31","","13.212","","90","","90","","90","","705.998","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","Lipscombite","- Fe1.473 H O5 P -","- Fe1.473 H O5 P -","- Fe11.784 H8 O40 P8 -","8","1","","Vencato, I.; Mattievich, E.; Mascarenhas, Y. P.","Crystal structure of synthetic lipscombite: A redetermination","American Mineralogist","1989","74","","456","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:16",""
"9006288","4.9329","","4.9329","","6.4645","","90","","90","","90","","157.304","","","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 5","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006318","8.33","","8.33","","24.99","","90","","90","","90","","1734.03","","","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","Maghemite","- Fe3 O4 -","- Fe3 O4 -","- Fe72 O96 -","24","3","","Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E.","The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: c) idealized, either one of Fe-oct 1-6, or both Fe-oct 6-7 have zero occupancy","Physics and Chemistry of Minerals","1995","22","","21","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9008140","7.541","","7.541","","9.156","","90","","90","","90","","520.671","","","","","","","","","","","","Synthetic","4","P 43 21 2","P 4nw 2abw","96","","","Spodumene-II","- Al Li O6 Si2 -","- Al0.99999 Li O6 Si2.00001 -","- Al3.99996 Li4 O24 Si8.00004 -","4","0.5","","Li, C. T.; Peacor, D. R.","The crystal structure LiAlSi2O6-II (""beta spodumene"") Note, y coordinate of Si1 altered according to Clarke and Spink (1969)","Zeitschrift fur Kristallographie","1968","126","","46","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008186","7.534","","7.543","","9.158","","90","","90","","90","","520.44","","","","","","","","","","","","Synthetic","4","P 43 21 2","P 4nw 2abw","96","","","Spodumene-II","- Al Li O6 Si2 -","- Al0.99999 Li O6 Si2.00001 -","- Al3.99996 Li4 O24 Si8.00004 -","4","0.5","","Clarke, P. T.; Spink, J. M.","The crystal structure of beta spodumene, LiAlSi2O6-II","Zeitschrift fur Kristallographie","1969","130","","420","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9011057","5.93","","5.93","","6.98","","90","","90","","90","","245.451","","","","","","","","","","","","Synthetic","1","P 43 21 2","P 4nw 2abw","96","","","Germanium","- Ge -","- Ge -","- Ge12 -","12","1.5","","Kasper, J. S.; Richards, S. M.","The crystal structures of new forms of silicon and germanium","Acta Crystallographica","1964","17","","752","755","10.1107/S0365110X64001840","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011264","6.7803","","6.7803","","18.288","","90","","90","","90","","840.744","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","Retgersite (deuterated)","- D12 Ni O10 S -","- D12 Ni O10 S -","- D48 Ni4 O40 S4 -","4","0.5","","McIntyre, G. J.; Ptasiewicz-Bak H; Olovsson, I.","Bonding deformation and superposition effects in the electron density of tetragonal nickel sulfate hexadeuterate NiSO4*6D2O Sample: neutron refinement Note: anisoU's from ICSD","Acta Crystallographica, Section B","1990","46","1","27","39","10.1107/S0108768189010840","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011265","6.7803","","6.7803","","18.288","","90","","90","","90","","840.744","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","Retgersite","- H12 Ni O10 S -","- Ni O10 S -","- Ni4 O40 S4 -","4","0.5","","McIntyre, G. J.; Ptasiewicz-Bak H; Olovsson, I.","Bonding deformation and superposition effects in the electron density of tetragonal nickel sulfate hexadeuterate NiSO4*6D2O Sample: X-ray refinement","Acta Crystallographica, Section B","1990","46","1","27","39","10.1107/S0108768189010840","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011288","6.7778","","6.7778","","18.176","","90","","90","","90","","834.979","","","","25","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","Retgersite","- H12 Ni O10 S -","- H12 Ni O10 S -","- H48 Ni4 O40 S4 -","4","0.5","","Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J.","Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, neutron refinement Note: anisoU's from ICSD","Acta Crystallographica, Section B","1993","49","2","192","201","10.1107/S0108768192009583","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011289","6.7778","","6.7778","","18.176","","90","","90","","90","","834.979","","","","25","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","Retgersite","- Ni O10 S -","- Ni O10 S -","- Ni4 O40 S4 -","4","0.5","","Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J.","Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, X-ray refinement","Acta Crystallographica, Section B","1993","49","2","192","201","10.1107/S0108768192009583","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9012105","9.4","","9.4","","11.179","","90","","90","","90","","987.776","","","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- H In O5 P Rb -","- H In O5 P Rb -","- H8 In8 O40 P8 Rb8 -","8","1","","Lii, K. H.","RbIn(OH)PO4: an indium(III) phosphate containing spirals of corner-sharing InO6 octahedra","Dalton Transactions","1996","1996","","815","818","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012272","9.416","","9.416","","11.159","","90","","90","","90","","989.369","","","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- H5 In N O5 P -","- H5 In N O5 P -","- H40 In8 N8 O40 P8 -","8","1","","Mao, S. Y.; Li, M. R.; Huang, Y. X.; Mi, J. X.; Chen, H. H.; Wei, Z. B.; Zhao, J. T.","Hydrothermal synthesis and crystal structure of the first ammonium indium(III) phosphate NH4In(OH)PO4 with spiral chains of InO4(OH)2","Journal of Solid State Chemistry","2002","165","","209","213","10.1006/jssc.2001.9489","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012276","9.4232","","9.4232","","11.1766","","90","","90","","90","","992.445","","","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- H5 In N O5 P -","- H5 In N O5 P -","- H40 In8 N8 O40 P8 -","8","1","","Filaretov, A. A.; Zhizhin, M. G.; Komissarova, L. N.; Danilov, V. P.; Chernyshev, V. V.; Lazoryak, B. I.","Synthesis and structure of the new ammonium indium phosphate (NH4)In(OH)PO4","Journal of Solid State Chemistry","2002","166","","362","368","10.1006/jssc.2002.9606","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012692","8.3396","","8.3396","","8.322","","90","","90","","90","","578.786","","","","4","","","","","","","","Synthetic","2","P 43 21 2","P 4nw 2abw","96","","","Maghemite","- Fe2 O3 -","- Fe2.1332 O3.2 -","- Fe21.332 O32 -","10","1.25","","Greaves, C.","A powder neutron diffraction investigation of vacancy ordering and covalence in gamma-Fe2O3 Locality: synthetic Sample: T = 4 K","Journal of Solid State Chemistry","1983","49","","325","333","10.1016/S0022-4596(83)80010-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9017520","8.346","","8.346","","25.034","","90","","90","","90","","1743.76","","","","","","","","","","","","Synthetic","2","P 43 21 2","P 4nw 2abw","96","","","Maghemite","- Fe1.966 O2.962 -","- Fe1.96625 O2.9625 -","- Fe62.92 O94.8 -","32","4","","Shin HS","A study on the structure of maghemite (gamma-Fe2O3) I. Rietveld analysis of powder XRD patterns","Journal of the Korean Ceramic Society","1998","35","","1113","1119","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""