# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-21T12:37:34+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 c 1' 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
"1000355","5.935","0.006","10.282","0.002","13.368","0.013","90","","106.78","0.07","90","","781","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","Copper(I) chromium hexathio-duo-diphosphate(IV)","","- Cr Cu P2 S6 -","- Cr Cu P2 S6 -","- Cr4 Cu4 P8 S24 -","4","2","","Maisonneuve, V; Cajipe, V B; Payen, C","Low-temperature neutron powder diffraction study of CuCrP~2~S~6~: observation of an ordered, antipolar copper sublattice","Chemistry of Materials (1,1989-","1993","5","","758","760","10.1021/cm00030a006","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1501608","9.0317","0.0003","6.3945","0.0002","22.5874","0.0008","90","","99.588","0.002","90","","1286.27","0.07","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 c 1","P -2yc","7","","","","- C14 H15 N5 -","- C14 H15 N5 -","- C56 H60 N20 -","4","2","","Olivier LeBel; Thierry Maris; Hugues Duval; James D. Wuest","A practical guide to arylbiguanides — Synthesis and structural characterization","Can. J. Chem.","2005","83","","615","625","10.1139/v05-093","","","1.54178","CuKα","","0.0745","0.0673","","","0.1525","0.1551","","","","","","1.024","","","","has coordinates,has disorder","201954","2020-10-21","18:00:00",""
"1502181","16.095","0.002","7.1088","0.0009","7.0468","0.0009","90","","102.5","0.007","90","","787.16","0.17","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C44 H32 O4 -","2","1","","Luo, Tuoping; Dai, Mingji; Zheng, Shao-Liang; Schreiber, Stuart L.","Syntheses of α-pyrones using gold-catalyzed coupling reactions.","Organic letters","2011","13","11","2834","2836","10.1021/ol200794w","","","1.54178","CuKα","","0.0647","0.0621","","","0.1608","0.1636","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502289","4.8822","0.0005","14.1165","0.0015","10.0699","0.0011","90","","93.89","0.002","90","","692.41","0.13","223","2","223","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H10 F2 N2 O5 -","- C15 H10 F2 N2 O5 -","- C30 H20 F4 N4 O10 -","2","1","","Ren, Changliang; Xu, Shengyu; Xu, Jun; Chen, Hongyu; Zeng, Huaqiang","Planar macrocyclic fluoropentamers as supramolecular organogelators.","Organic letters","2011","13","15","3840","3843","10.1021/ol201361f","","","0.71073","MoKα","","0.0648","0.0552","","","0.1425","0.1498","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502498","11.743","0.003","5.2952","0.0012","25.14","0.006","90","","93.61","0.004","90","","1560.1","0.7","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C37 H40 O8 -","- C37 H40 O8 -","- C74 H80 O16 -","2","1","","Snyder, Scott A.; Brill, Zachary G.","Structural revision and total synthesis of caraphenol B and C.","Organic letters","2011","13","20","5524","5527","10.1021/ol2022406","","","0.71073","MoKα","","0.1256","0.056","","","0.086","0.1022","","","","","","0.823","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503291","11.0609","0.0008","8.0727","0.0007","14.9313","0.0015","90","","109.045","0.005","90","","1260.26","0.19","200","2","200","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H37 I O Si -","- C25 H37 I O Si -","- C50 H74 I2 O2 Si2 -","2","1","","Pradal, Alexandre; Nasr, Alexandre; Toullec, Patrick Y.; Michelet, Veronique","Room-temperature metal-free electrophilic 5-endo-selective iodocarbocyclization of 1,5-enynes.","Organic letters","2010","12","22","5222","5225","10.1021/ol102257z","","","0.71073","MoKα","","0.0487","0.0293","","","0.0578","0.0631","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503413","5.857","0.003","19.125","0.01","16.336","0.009","90","","90.26","0.01","90","","1829.9","1.7","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","2","","Grenning, Alexander J.; Tunge, Jon A.","Rapid decarboxylative allylation of nitroalkanes.","Organic letters","2010","12","4","740","742","10.1021/ol902828p","","","0.71073","MoKα","","0.1024","0.0866","","","0.1864","0.1968","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503968","11.2189","0.001","11.3198","0.001","8.7223","0.0008","90","","92.1671","0.0015","90","","1106.9","0.17","90","2","90","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","2","","Oakdale, James S.; Solano, Danielle M.; Fettinger, James C.; Haddadin, Makhluf J.; Kurth, Mark J.","An oxazolo[3,2-b]indazole route to 1H-indazolones.","Organic letters","2009","11","13","2760","2763","10.1021/ol900891s","","","0.71073","MoKα","","0.0386","0.0319","","","0.0751","0.0797","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504046","6.119","0.004","13.231","0.01","20.15","0.015","90","","91.94","0.013","90","","1630","2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H25 N O2 S -","- C16 H25 N O2 S -","- C64 H100 N4 O8 S4 -","4","2","","Wang, Bing; Wang, Yong-Jun","SmI2-promoted intramolecular asymmetric pinacol-type ketone-tert-butanesulfinyl imine reductive coupling: stereoselectivity and mechanism.","Organic letters","2009","11","15","3410","3413","10.1021/ol901296u","","","0.71073","MoKα","","0.1113","0.0779","","","0.195","0.2193","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504125","7.4578","0.0012","15.834","0.003","7.0431","0.0012","90","","111.745","0.002","90","","772.5","0.2","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C18 H21 O6 -","- C18 H21 O6 -","- C36 H42 O12 -","2","1","","Geng, Chang-An; Jiang, Zhi-Yong; Ma, Yun-Bao; Luo, Jie; Zhang, Xue-Mei; Wang, Hong-Ling; Shen, Yong; Zuo, Ai-Xue; Zhou, Jun; Chen, Ji-Jun","Swerilactones A and B, anti-HBV new lactones from a tradtional Chinese herb: Swertia mileensis as a treatment for viral hepatitis.","Organic letters","2009","11","18","4120","4123","10.1021/ol901592f","","","0.71073","MoKα","","0.0771","0.0498","","","0.1312","0.155","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504739","6.3701","0.0007","13.0956","0.0014","7.4352","0.0008","90","","100.464","0.002","90","","609.93","0.11","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C28 H26 N2 O8 -","2","1","","Chen, Jian; Liu, Qiang; Zhang, Weicheng; Spinella, Stephen; Lei, Aiwen; Zhang, Xumu","A convenient synthesis and the asymmetric hydrogenation of N-phthaloyl dehydroamino acid esters.","Organic letters","2008","10","14","3033","3036","10.1021/ol800996j","","","0.71073","MoKα","","0.0374","0.0365","","","0.091","0.0918","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505038","9.872","0.002","9.6208","0.0019","17.434","0.004","90","","104.05","0.03","90","","1606.3","0.6","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","(hapto^6^-p-Cymene)[9-pyridin-kappaN-2-yl-(E)-methylidene)amino-kappaN-7,12- dihydroindolo[3,2-d][1]benzazepin-6(5H)-one]chlororuthenium(II) chloride acetone solvate","","- C35 H36 Cl2 N4 O2 Ru -","- C35 H36 Cl2 N4 O2 Ru -","- C70 H72 Cl4 N8 O4 Ru2 -","2","1","","Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.","Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.","Journal of medicinal chemistry","2007","50","25","6343","6355","10.1021/jm701042w","","","0.71073","MoKα","","0.0598","0.0537","","","0.1325","0.1347","","","","","","1.164","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505040","9.876","0.002","9.6263","0.0019","17.46","0.004","90","","104.32","0.03","90","","1608.3","0.6","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","(hapto^6^-p-Cymene)[9-pyridin-kappaN-2-yl-(E)-methylidene)amino-kappaN-7,12- dihydroindolo[3,2-d][1]benzazepin-6(5H)-one]chloroosmium(II) chloride acetone solvate","","- C35 H36 Cl2 N4 O2 Os -","- C35 H36 Cl2 N4 O2 Os -","- C70 H72 Cl4 N8 O4 Os2 -","2","1","","Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.","Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.","Journal of medicinal chemistry","2007","50","25","6343","6355","10.1021/jm701042w","","","0.71073","MoKα","","0.0241","0.0219","","","0.0447","0.0453","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506315","8.7336","0.0017","7.8955","0.0016","14.484","0.003","90","","95.04","0.03","90","","994.9","0.4","293","2","293","2","","","101","","","","Synthetic","5","P 1 c 1","P -2yc","7","Hydrazine Derivative","(E)-N-phthalyl-2-(3-chlorophenyl)-2-phenylcyclobutylidene hydrazine","","- C24 H17 Cl N2 O2 -","- C24 H17 Cl N2 O2 -","- C48 H34 Cl2 N4 O4 -","2","1","","Liang, Yong; Jiao, Lei; Wang, Yuanyuan; Chen, Yuanyuan; Ma, Linge; Xu, Jiaxi; Zhang, Shiwei; Yu, Zhi-Xiang","Nitrene equivalent mediated metal-free ring expansions of alkylidenecyclopropanes and an alkylidenecyclobutane.","Organic letters","2006","8","25","5877","5879","10.1021/ol062504t","","x-ray","0.71073","MoKα","","0.05","0.0393","","","0.0914","0.0947","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506329","8.1375","0.0001","15.0204","0.0001","19.429","","90","","95.29","0.001","90","","2364.66","0.03","150","1","150","1","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C18.5 H15.5 Cl2 N7 O Re S2 -","- C18.5 H15.5 Cl2 N7 O Re S2 -","- C74 H62 Cl8 N28 O4 Re4 S8 -","4","2","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0652","0.0519","","0.1261","0.1163","","","","1.047","1.035","1.035","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506902","9.9279","0.0006","7.8341","0.0004","15.8873","0.0009","90","","95.946","0.001","90","","1229.01","0.12","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","5-endo-6-exo-bis(chloromethanesulfonyl)bicyclo[2.2.1]hept-2-ene","","- C9 H12 Cl2 O4 S2 -","- C9 H12 Cl2 O4 S2 -","- C36 H48 Cl8 O16 S8 -","4","2","","Block, Eric; Jeon, Hak Rim; Zhang, Shao-Zhong; Dikarev, Evgeny V.","Chloromethanesulfonylethene and dichloromethanesulfonylethene: new reagents for tandem Diels-Alder/Ramberg-Bäcklund reactions.","Organic letters","2004","6","3","437","440","10.1021/ol0363523","","","0.71073","MoKα","","0.0299","0.0291","","","0.0739","0.0744","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507441","9.76","0.001","9.994","0.001","12.081","0.002","90","","107.99","0.01","90","","1120.8","0.3","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H21 N2 O3 P S -","- C24 H21 N2 O3 P S -","- C48 H42 N4 O6 P2 S2 -","2","1","","Moss, Robert A.; Gong, Paul K.; Morales-Rojas, Hugo","Stereochemical Study of Phosphonothioate Cleavage by a Metallomicelle","Organic Letters","2002","4","11","1835","","10.1021/ol0200394","","","1.5418","CuKα","","0.0695","0.04","","","0.0903","0.0979","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507569","13.1836","0.0003","5.4727","0.0001","8.6078","0.0002","90","","92.362","0.002","90","","620.52","0.02","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C28 H30 N6 O2 -","2","1","","Ryabchuk, Pavel; Rubina, Marina; Xu, Jack; Rubin, Michael","Formal nucleophilic substitution of bromocyclopropanes with azoles.","Organic letters","2012","14","7","1752","1755","10.1021/ol300352z","","","1.54178","CuKα","","0.0283","0.0266","","","0.0673","0.0682","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507880","10.575","0.004","15.748","0.007","13.296","0.006","90","","99.848","0.007","90","","2181.6","1.6","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C51 H36 F6 Mn N4 Sb -","- C51 H36 F6 Mn N4 Sb -","- C102 H72 F12 Mn2 N8 Sb2 -","2","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Manganese porphyrin catalyzed cycloisomerization of enynes.","Organic letters","2012","14","12","3008","3011","10.1021/ol301416f","","","0.71073","MoKα","","0.0743","0.0622","","","0.1567","0.1678","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508613","13.3597","0.0018","11.0412","0.0015","18.9587","0.0019","90","","133.837","0.006","90","","2017.2","0.5","298","","298","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C37 H40 Ag F3 N8 O11 S -","- C37 H40 Ag F3 N8 O11 S -","- C74 H80 Ag2 F6 N16 O22 S2 -","2","1","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.051","0.0489","","","0.1348","0.1381","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509964","7.368","","14.77","","12.768","","90","","124.28","","90","","1148.12","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Ag7 Nb S6 -","- Ag7 Nb S6 -","- Ag28 Nb4 S24 -","4","2","","Onoda, M.; Wada, H.; Ishii, M.; Tansho, M.","Crystal structures of low-temperature phases (phase II) of ionic conductors Ag7 Ta S6 and Ag7 Nb S6","Journal of Alloys Compd.","1997","262","","39","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510497","9.9908","","10.7278","","15.2221","","90","","95.304","","90","","1624.51","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","Au3 F7 (Sb F5)3","","- Au3 F22 Sb3 -","- Au3 F22 Sb3 -","- Au12 F88 Sb12 -","4","2","","Hwang, I.-C.; Seppelt, K.","The reduction of Au F3 in super acidic solution","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","765","769","10.1002/1521-3749(200205)628:4<765::AID-ZAAC765>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512167","5.4055","0.0003","9.6991","0.0014","12.7818","0.0007","90","","100.422","0.007","90","","659.07","0.11","291.88","0.1","291.88","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C36 H24 N4 O2 -","2","1","","Li, Zhan-Shan; Wang, Wei-Xia; Yang, Ji-Dong; Wu, Yue-Wei; Zhang, Wei","Photoinduced and N-Bromosuccinimide-Mediated Cyclization of 2-Azido-N-phenylacetamides.","Organic letters","2013","15","15","3820","3823","10.1021/ol401338e","","","0.7107","MoKα","","0.0564","0.0439","","","0.1018","0.1133","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512281","21.215","0.002","10.0689","0.0009","10.6637","0.0009","90","","96.454","0.006","90","","2263.5","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C9 H11 B F3 N O4 -","- C9 H11 B F3 N O4 -","- C72 H88 B8 F24 N8 O32 -","8","4","","Duncton, Matthew A. J.; Singh, Rajinder","Synthesis of trans-2-(Trifluoromethyl)cyclopropanes via Suzuki Reactions with an N-Methyliminodiacetic Acid Boronate.","Organic letters","2013","15","17","4284","4287","10.1021/ol401636d","","","1.54178","CuKα","","0.0876","0.078","","","0.2116","0.2317","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512693","7.27","0.003","12.841","0.006","7.602","0.005","90","","121.52","0.02","90","","605","0.6","105","2","105","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H14 N2 O4 Pt -","- C10 H14 N2 O4 Pt -","- C20 H28 N4 O8 Pt2 -","2","1","","Esther Escribano; Merce Font-Bardia; Teresa Calvet; Julia Lorenzo; Patrick Gamez; Virtudes Moreno","DNA binding studies of a series of cis-[Pt(Am)2X2] complexes (Am = inert amine, X = labile carboxylato ligand)","Inorganica Chimica Acta","2012","393","","65","76","","","","0.71073","MoKα","","0.0395","0.0394","","","0.0987","0.0989","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512716","8.8334","0.0013","14.049","0.002","18.822","0.003","90","","100.719","0.002","90","","2295.1","0.6","100","2","100","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C39.75 H43.5 Br4 Cl1.5 F3 N3 O6 Ru S -","- C39.75 H42 Br4 Cl1.5 F3 N3 O6 Ru S -","- C79.5 H84 Br8 Cl3 F6 N6 O12 Ru2 S2 -","2","1","","Ho-Yuen Ng; Ngai-Man Lam; Min Yang; Xiao-Yi Yi; Ian D. Williams; Wa-Hung Leung","Ruthenium(VI) nitrido complexes with a sterically bulky bidentate Schiff base ligand","Inorganica Chimica Acta","2012","393","","171","175","","","","0.71073","MoKα","","0.0571","0.0458","","","0.1077","0.1127","","","","","","1.034","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512926","10.1803","0.0016","14.794","0.002","10.6387","0.0017","90","","106.532","0.002","90","","1536","0.4","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C5 H20 Br3 La O5 -","- C5 H20 Br3 La O5 -","- C20 H80 Br12 La4 O20 -","4","2","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0257","0.0237","","","0.0494","0.0521","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513170","16.512","0.006","5.3679","0.0013","10.385","0.004","90","","94.041","0.011","90","","918.2","0.5","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","N-(1H-Benzoimidazol-2-yl)-guanidine dihydrate","","","- C8 H10 N5 O -","- C8 H9 N5 O -","- C32 H36 N20 O4 -","4","2","","Ivanova, Bojidarka; Spiteller, Michael","A novel UV-MALDI-MS analytical approach for determination of halogenated phenyl-containing pesticides","Ecotoxicology and Environmental Safety","2013","91","","86","95","10.1016/j.ecoenv.2013.01.010","","","0.71073","MoKα","","0.085","0.0722","","","0.1728","0.1959","","","","","","1.507","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513814","6.1325","0.001","7.0271","0.0012","34.947","0.004","90","","90.605","0.004","90","","1505.9","0.4","113","2","113","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C17 H18 F N O2 S -","- C17 H18 F N O2 S -","- C68 H72 F4 N4 O8 S4 -","4","2","","Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi","Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.","Organic letters","2014","16","5","1442","1445","10.1021/ol500238k","","","0.71075","MoKα","","0.0446","0.04","","","0.0972","0.1013","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514504","7.7299","0.0002","7.7263","0.0002","17.8514","0.0005","90","","100.673","0.002","90","","1047.7","0.05","170","2","170","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C15 H33 Cl N5 Ni O6 -","- C15 H33 Cl N5 Ni O6 -","- C30 H66 Cl2 N10 Ni2 O12 -","2","1","","Cho, Jaeheung; Kang, Hye Yeon; Liu, Lei V.; Sarangi, Ritimukta; Solomon, Edward I.; Nam, Wonwoo","Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","4","1502","1508","10.1039/C3SC22173C","","","0.71073","MoKα","","0.0445","0.036","","","0.0762","0.0801","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514884","17.848","0.004","16.102","0.003","22.302","0.005","90","","110.45","0.03","90","","6005","3","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H26 N4 O2 -","- C23 H26 N4 O2 -","- C276 H312 N48 O24 -","12","6","","Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick","Latent catalysts based on guanidine templates for polyurethane synthesis","Polymer Chemistry","2013","4","4","904","","10.1039/c2py21006a","","","1.54178","CuKα","","0.1003","0.0601","","","0.161","0.2263","","","","","","0.793","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514982","11.3784","0.0007","11.822","0.0008","22.0722","0.0014","90","","90.429","0.001","90","","2969","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H22 Co O5 Pt S4 -","- C28 H22 Co O5 Pt S4 -","- C112 H88 Co4 O20 Pt4 S16 -","4","2","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","0.71073","MoKα","","0.0279","0.0262","","","0.0561","0.0567","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515307","12.263","0.003","24.775","0.005","24.888","0.005","90","","91.51","0.03","90","","7559","3","295","2","295","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C209 H338 Ag16 Cl18 I32 N16 -","- C209 H338 Ag16 Cl18 I32 N16 -","- C209 H338 Ag16 Cl18 I32 N16 -","1","0.5","","Xu, Biao; Wang, Ruji; Wang, Xun","Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.","Nanoscale","2012","4","8","2713","2719","10.1039/c2nr30139c","","","0.71073","MoKα","","0.1058","0.0867","","","0.1897","0.2046","","","","","","1.458","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515339","22.338","0.003","4.7901","0.0007","17.757","0.003","90","","113.326","0.007","90","","1744.7","0.5","120","","120","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H12 O S6 -","- C16 H12 O S6 -","- C64 H48 O4 S24 -","4","2","","Kaur, Sandeep; Findlay, Neil J.; Kanibolotsky, Alexander L.; Elmasly, Saadeldin E. T.; Skabara, Peter J.; Berridge, Rory; Wilson, Claire; Coles, Simon J.","Electrochromic properties of a poly(dithienylfuran) derivative featuring a redox-active dithiin unit","Polymer Chemistry","2012","3","8","2277","","10.1039/c2py20277h","","x-ray","0.71073","MoKα","","0.1752","0.1187","","","0.2303","0.2654","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515860","12.9195","0.0003","26.1804","0.0007","13.8321","0.0003","90","","114.575","0.0012","90","","4254.73","0.18","160","1","160","1","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C52 H50 O4 -","- C52 H50 O4 -","- C208 H200 O16 -","4","2","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0911","0.0526","","","0.0998","0.1166","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516180","8.3157","0.0004","38.967","0.0018","14.2436","0.0006","90","","91.718","0.001","90","","4613.4","0.4","123","2","123","2","","","","","","","","4","P 1 c 1","P -2yc","7","","pyrene tetrachloro-o-benzoquinnone","","- C60 H30 Cl8 O4 -","- C60 H30 Cl8 O4 -","- C240 H120 Cl32 O16 -","4","2","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0543","0.0478","","","0.1074","0.1109","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516365","7.309","0.003","5.169","0.004","11.583","0.002","90","","95.22","0.02","90","","435.8","0.4","223.2","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C6 H5 N5 O6 -","- C6 H5 N5 O6 -","- C12 H10 N10 O12 -","2","1","","Kohno, Yuji; Hiyoshi, Reiko I.; Yamaguchi, Yoshitaka; Matsumoto, Shinya; Koseki, Atsushi; Takahashi, Osamu; Yamasaki, Katsuyoshi; Ueda, Kazuyoshi","Molecular dynamics studies of the structural change in 1,3-diamino-2,4,6-trinitrobenzene (DATB) in the crystalline state under high pressure.","The journal of physical chemistry. A","2009","113","11","2551","2560","10.1021/jp809240x","","","0.7107","MoKα","","","0.0381","","","","0.098","","","","","","1.409","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516519","10.838","0.005","11.225","0.005","13.268","0.006","90","","107.879","0.007","90","","1536.2","1.2","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","2","","Manin, Alex N.; Voronin, Alexander P.; Manin, Nikolay G.; Vener, Mikhail V.; Shishkina, Anastasia V.; Lermontov, Anatoly S.; Perlovich, German L.","Salicylamide cocrystals: screening, crystal structure, sublimation thermodynamics, dissolution, and solid-state DFT calculations.","The journal of physical chemistry. B","2014","118","24","6803","6814","10.1021/jp5032898","","","0.71073","MoKα","","0.0746","0.0477","","","0.1132","0.1237","","","","","","0.917","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516612","6.879","0.003","3.929","0.001","23.459","0.009","90","","90.35","0.04","90","","634","0.4","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","4-(3-Fluorostyryl)coumarin","","","- C17 H11 F O2 -","- C17 H11 F O2 -","- C34 H22 F2 O4 -","2","1","","Vishnumurthy, Kodumuru; Guru Row, Tayur N.; Venkatesan, Kailasam","Photochemical behaviour of 4-styrylcoumarin polymorphs in the crystalline state","Photochemical & Photobiological Sciences","2002","1","10","799","","10.1039/b204387d","","","1.5418","CuKα","","0.0482","0.0281","","","0.0556","0.0586","","","","","","0.451","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516906","11.7769","0.0011","4.7093","0.0004","13.1053","0.0011","90","","109.462","0.005","90","","685.3","0.11","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H9 Br2 O4 P -","- C12 H9 Br2 O4 P -","- C24 H18 Br4 O8 P2 -","2","1","","Payal Malik; Debashis Chakraborty","Hydrogen phosphates: Self initiated organocatalysts for the controlled ring-opening polymerization of cyclic esters","Inorganica Chimica Acta","2013","400","","32","41","","","","0.71073","MoKα","","0.0592","0.0381","","","0.0827","0.0903","","","","","","0.974","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516952","13.7321","0.0002","10.5102","0.0002","23.2601","0.0003","90","","97.74","0.001","90","","3326.48","0.09","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C72 H64 N2 O10 P2 S4 Sn2 -","- C72 H64 N2 O10 P2 S4 Sn2 -","- C144 H128 N4 O20 P4 S8 Sn4 -","2","1","","Radu F. Semeniuc; Robert R. Baum; Jedidiah J. Veach; Kraig A. Wheeler; Perry J. Pellechia","Metal complexes of ditopic dithiophosphonate ligands built on a naphthalenediimide core","Inorganica Chimica Acta","2013","400","","228","238","","","","1.54178","CuKα","","0.0414","0.0371","","","0.0881","0.0929","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517605","7.1781","0.0002","14.0979","0.0003","16.0641","0.0004","90","","121.726","0.002","90","","1382.71","0.07","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H26 N2 O10 Zn2 -","- C30 H26 N2 O10 Zn2 -","- C60 H52 N4 O20 Zn4 -","2","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0907","0.05","","","0.1279","0.1568","","","","","","0.944","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517912","12.3316","0.0008","10.387","0.0007","20.2159","0.0013","90","","100.383","0.004","90","","2547","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C32 H24 As F3 O -","- C32 H24 As F3 O -","- C128 H96 As4 F12 O4 -","4","2","","Bhunia, Anup; Roy, Tony; Gonnade, Rajesh G.; Biju, Akkattu T.","Rapid access to benzoxaphospholes and their spiro analogues by a three-component coupling involving arynes, phosphines, and activated ketones.","Organic letters","2014","16","19","5132","5135","10.1021/ol502490t","","","0.71073","MoKα","","0.0485","0.0342","","","0.0736","0.0794","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518095","6.966","0.005","12.248","0.006","14.79","0.009","90","","128.12","0.05","90","","992.7","1.3","","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H6 K4 O20 Ru2 -","- C8 K4 O20 Ru2 -","- C16 K8 O40 Ru4 -","2","1","","Deloume, J. P.; Duc, G.; Faure, R.; Thomas-David, G.","","Revue de Chimie Minerale","1985","22","","728","738","","","x-ray","0.71069","MoKα","","","0.087","","","0.1","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519057","4.6935","0.0007","7.2515","0.001","11.1025","0.0015","90","","94.724","0.003","90","","376.59","0.09","","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C H2 O7 P2 Sb2 -","- C O7 P2 Sb2 -","- C2 O14 P4 Sb4 -","2","1","","Brian A. Adair; Graciela Diaz de Delgado; J. Miguel Delgado; Anthony K. Cheetham","On the synthesis and characterization of open-framework antimony(III) diphosphonates","Solid State Sciences","2000","2","","119","126","","","x-ray","0.71073","MoKα","","","0.0397","","","0.1002","","","","","","","1.325","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519533","15.9575","0.0004","8.8522","0.0002","13.7492","0.0003","90","","101.905","0.001","90","","1900.42","0.08","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H14 Br2 Fe O2 -","- C24 H14 Br2 Fe O2 -","- C96 H56 Br8 Fe4 O8 -","4","2","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C24H14Br2FeO2","Crystal Structure Report Archive","2003","","","917","","","","","0.71073","MoKα","","0.0538","0.0445","","","0.0999","0.1057","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520589","12.658","0.007","10.48","0.006","18.889","0.008","90","","127","0.03","90","","2001","2","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C45 H70 Th -","- C45 H70 Th -","- C90 H140 Th2 -","2","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.0783","0.0598","","","0.1288","0.1449","","","","","","1.034","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520626","8.7551","0.00001","12.7463","0.00001","22.1115","0.0002","90","","92.0698","0.0006","90","","2465.93","0.02","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C49 H80 F N O7 -","- C49 H80 F N O7 -","- C98 H160 F2 N2 O14 -","2","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.03","0.0296","","0.0797","0.0793","0.0797","","","","","","0.9982","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1521926","14.69","","8.195","","25.645","","90","","125.39","","90","","2516.82","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","Rb3 (Bi2 I9)","","- Bi2 I9 Rb3 -","- Bi2 I9 Rb3 -","- Bi8 I36 Rb12 -","4","2","","Sidey, V.I.; Voroshilov, Yu.V.; Kun, S.V.; Peresh, E.Yu.","Crystal growth and X-ray structure determination of Rb3 Bi2 I9","Journal of Alloys Compd.","2000","296","","53","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","142143","2020-10-21","18:00:00",""
"1521989","9.19","","9.107","","9.07","","90","","90.04","","90","","759.098","","","","","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- La Te2 -","- La Te2 -","- La8 Te16 -","8","4","","Stoewe, K.","Crystal structure and electronic band structure of La Te2","Journal of Solid State Chemistry","2000","149","","155","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528386","9.359","","9.0097","","14.1308","","90","","95.229","","90","","1186.58","","","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","((C H3)2 N H2)3 (Sb2 Cl9)","","- C6 H24 Cl9 N3 Sb2 -","- C6 H24 Cl9 N3 Sb2 -","- C12 H48 Cl18 N6 Sb4 -","2","1","","Bujak, M.; Angel, R.J.","Single crystal x-ray diffraction studies on [(C H3)(n) N H(4-n)]3 [Sb2 Cl9] (n = 2,3) chloroantimonates(III) in their low-temperature ferroelectric phases - structures and phase transition","Journal of Solid State Chemistry","2005","178","","2237","2246","","","","","","","","","","","","","","","","","","","","","","has coordinates","150544","2020-10-21","18:00:00",""
"1528387","9.8652","","9.1129","","15.0964","","90","","89.988","","90","","1357.18","","","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","((C H3)3 N H)3 (Sb2 Cl9)","","- C9 H30 Cl9 N3 Sb2 -","- C9 H30 Cl9 N3 Sb2 -","- C18 H60 Cl18 N6 Sb4 -","2","1","","Bujak, M.; Angel, R.J.","Single crystal x-ray diffraction studies on [(C H3)(n) N H(4-n)]3 [Sb2 Cl9] (n = 2,3) chloroantimonates(III) in their low-temperature ferroelectric phases - structures and phase transition","Journal of Solid State Chemistry","2005","178","","2237","2246","","","","","","","","","","","","","","","","","","","","","","has coordinates","150545","2020-10-21","18:00:00",""
"1529951","13.39","","8.062","","16.82","","90","","106.02","","90","","1745.21","","","","","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- Mo8 O23 -","- Mo8 O23 -","- Mo32 O92 -","4","2","","Fujishita, H.; Sato, M.; Sato, S.; Hoshino, S.","Structure determination of low-dimensional conductor Mo8 O23","Journal of Solid State Chemistry","1987","66","","40","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534364","18.243","","12.023","","12.021","","90","","96.86","","90","","2617.76","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","Cs2 Mg2 (P6 O18)","","- Cs2 Mg2 O18 P6 -","- Cs2 Mg2 O18 P6 -","- Cs12 Mg12 O108 P36 -","6","3","","Chudinova, N.N.; Murashova, E.V.; Ilyukhin, A.B.","Double cyclohexaphosphates of cesium and divalent metals","Neorganicheskie Materialy","2003","39","","1499","1503","","","","","","","","","","","","","","","","","","","","","","has coordinates","161029","2020-10-21","18:00:00",""
"1534966","7.3187","","7.3084","","15.655","","90","","102.01","","90","","819.026","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","(Te I3) (Al I4)","","- Al I7 Te -","- Al I7 Te -","- Al2 I14 Te2 -","2","1","","Beck, J.; Fischer, A.","Se Br3 (Al Br4) und Te I3 (Al I4) - zwei weitere Vertreter des S Cl3 (Al Cl4)-Strukturtyps","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1042","1046","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534969","6.707","","6.639","","14.28","","90","","101.21","","90","","623.725","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","(Se Br3) (Al Br4)","","- Al Br7 Se -","- Al Br7 Se -","- Al2 Br14 Se2 -","2","1","","Beck, J.; Fischer, A.","Se Br3 (Al Br4) und Te I3 (Al I4) - zwei weitere Vertreter des S Cl3 (Al Cl4)-Strukturtyps","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1042","1046","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535029","8.1616","","10.0527","","8.4484","","90","","109.128","","90","","654.888","","","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","(C3 Cl3 S2) (Mo O Cl4)","","- C3 Cl7 Mo O S2 -","- C3 Cl7 Mo O S2 -","- C6 Cl14 Mo2 O2 S4 -","2","1","","Beck, J.; Koch, M.","Dithiolylium - Chlorooxomolybdate(V): Synthese und Kristallstruktur von (C3 Cl3 S2) (Mo O Cl4) und (C3 Cl3 S2) (Mo2 O2 Cl7)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535441","6.4329","","6.4099","","8.8068","","90","","93.464","","90","","362.478","","","","","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- Ga9 Ir2 -","- Ga9 Ir2 -","- Ga18 Ir4 -","2","1","","Bostroem, M.; Grin', Yu.; Rosner, H.; Prots', Yu.M.; Burkhardt, U.","The Co2 Al9 structure type revisited","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","534","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535448","6.4164","","6.4119","","8.7847","","90","","93.39","","90","","360.782","","","","","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- Ga9 Rh2 -","- Ga9 Rh2 -","- Ga18 Rh4 -","2","1","","Bostroem, M.; Rosner, H.; Prots', Yu.M.; Burkhardt, U.; Grin', Yu.","The Co2 Al9 structure type revisited","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","534","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535893","9.222","","14.688","","9.008","","90","","110.72","","90","","1141.24","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","K3 Er (S O4)3","","- Er K3 O12 S3 -","- Er K3 O12 S3 -","- Er4 K12 O48 S12 -","4","2","","Iskhakova, L.D.; Gasanov, Yu.M.","Double sulfates M3TR(SO4)3 (M=K, Rb) with frame-structure","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1991","32","","110","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536433","9.9605","","6.294","","17.808","","90","","101.817","","90","","1092.75","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","Mo2 N Cl8","","- Cl8 Mo2 N -","- Cl8 Mo2 N -","- Cl32 Mo8 N4 -","4","2","","Dinh, Q.T.; Straehle, J.; Richter, M.; Niquet, E.","Synthese und Struktur von Mo2 N Cl8 und Mo3 N2 Cl11","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1921","1924","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536732","6.5503","","12.532","","8.038","","90","","127.747","","90","","521.739","","","","","","","","","","","","","2","P 1 c 1","P -2yc","7","","Ba As2","","- As2 Ba -","- As2 Ba -","- As12 Ba6 -","6","3","","Emmerling, F.; Petri, D.; Roehr, C.","Neue Arsenide mit As(-)Ketten und -Ringen: Ba As2 und A(I) Ba2 As5 (A(I) = K, Rb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2490","2501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537109","8.336","","16.113","","12.243","","90","","90.01","","90","","1644.45","","","","","","","","","","","","","6","P 1 c 1","P -2yc","7","","(Ni (C H5 N5 O2)2 (H2 O)2) (Cl O4)2","","- C2 H14 Cl2 N10 Ni O14 -","- C2 H14 Cl2 N10 Ni O14 -","- C8 H56 Cl8 N40 Ni4 O56 -","4","2","","Romanenko, G.V.; Podberezskaya, N.V.","Crystal structure of perchlorate diaquabis(nitroamidoguanidin)nickel(II) (Ni (C H5 N5 O2)2 (H2 O)2) (Cl O4)2.","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1992","33","","141","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537568","8.71","","7.55","","9.37","","90","","93","","90","","615.331","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","K2 (Cr4 O13)","","- Cr4 K2 O13 -","- Cr4 K2 O13 -","- Cr8 K4 O26 -","2","1","","Kuz'min, E.A.; Golovachev, V.P.; Belov, N.V.; Kharitonov, Yu.A.","Systematic analysis of the patterson function on the basis of crystal symmetry. III. Application to analysis of the crystal structure of potassium tetrachromate","Kristallografiya","1972","17","","929","933","","","","","","","","","","","","","","","","","","","","","","has coordinates","165803","2020-10-21","18:00:00",""
"1538511","7.154","","7.101","","18.901","","90","","92.67","","90","","959.139","","","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","Sr (As U O6)2 (H2 O)8","","- As2 H16 O20 Sr U2 -","- As2 O20 Sr U2 -","- As4 O40 Sr2 U4 -","2","1","","Pushcharovskii, D.Yu.; Suleimanov, E.V.; Barinova, A.V.; Pasero, M.; Merlino, S.; Alekseev, E.V.","Crystal structure of Sr (As U O6)2 (H2 O)8","Kristallografiya","2003","48","","246","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541516","12.279","","12.648","","37.695","","90","","100.231","","90","","5761.13","","","","","","","","","","","","","6","P 1 c 1","P -2yc","7","","((C H3)4 N)5 (Cl9 O3 (Nb (C N))6) (H2 O)5","","- C26 H60 Cl9 N11 Nb6 O6.865 -","- C26 H60 Cl9 N11 Nb6 O6.865 -","- C104 H240 Cl36 N44 Nb24 O27.46 -","4","2","","Naumov, N.G.; Cordier, S.; Perrin, C.","Two (Nb6 Cl9 O3 (C N)6)(5-) isomer anions in two Nb6 cluster oxyhalides: Cs5 (Nb6 Cl9 O3 (C N)6) * 4(H2 O) and (Me4 N)5 (Nb6 Cl9 O3 (C N)6) * 5(H2 O)","Angew. Chem. Int. ed.","2002","41","","3002","3004","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541669","8.457","","13.812","","10.189","","90","","91.2","","90","","1189.9","","","","","","","","","","","","","6","P 1 c 1","P -2yc","7","","(N (C H3)4) Zn (H P O4) (H2 P O4)","","- C4 H15 N O8 P2 Zn -","- C4 H15 N O8 P2 Zn -","- C16 H60 N4 O32 P8 Zn4 -","4","2","","Wiebcke, M.; Marler, B.","Two polymorphs of a tetramethylammonium zincophosphate with diamond net-related frameworkks containing (H3 O4 (P)4) hydroxyl nests: solution-mediated and mechanochemical phase transformations and crystal structures","Solid State Sciences","2004","6","","213","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541787","8.646","","7.329","","13.884","","90","","129.17","","90","","682.072","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","Ba2 K (P O3)5","","- Ba2 K O15 P5 -","- Ba2 K O15 P5 -","- Ba4 K2 O30 P10 -","2","1","","Martin, C.; Tordjman, I.; Mitschler, A.","Barium potassium polyphosphate, Ba2 K (P O3)5","Crystal Structure Communications","1972","1","","349","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541839","7.098","","3.516","","14.358","","90","","98.94","","90","","353.973","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","(C (N H2)2 (N H O H)) (N3 O4)","","- C H6 N6 O5 -","- C H6 N6 O5 -","- C2 H12 N12 O10 -","2","1","","Gilardi, R. D.; Butcher, R. J.","A new class of flexible energetic salts. Part 7: The structures of the guanidinium and hydroxyguanidinium salts of dinitramide","Journal of Chemical Crystallography","2002","32","11","477","484","10.1023/A:1021196826824","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542276","7.4546","0.0004","18.7124","0.001","34.4314","0.0019","90","","91.776","0.003","90","","4800.6","0.4","100","2","99.98","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H28 N4 O5 S -","- C25 H28 N4 O5 S -","- C200 H224 N32 O40 S8 -","8","4","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0796","0.0585","","","0.1154","0.1245","","","","","","1.043","","","","has coordinates","177729","2020-10-21","18:00:00",""
"1542572","5.82646","0.00009","9.44106","0.00013","15.616","0.0003","90","","100.11","0.0015","90","","845.67","0.02","99.9","0.4","99.9","0.4","","","","","","","","3","P 1 c 1","P -2yc","7","Methyl model compound","4-(4-methoxyphenyl)-6-methyl-3-phenyl-1H-isochromen-1-one","","- C23 H18 O3 -","- C23 H18 O3 -","- C46 H36 O6 -","2","1","","Han, Ting; Deng, Haiqin; Yu, Chris Y. Y.; Gui, Chen; Song, Zhegang; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Functional isocoumarin-containing polymers synthesized by rhodium-catalyzed oxidative polycoupling of aryl diacid and internal diyne","Polym. Chem.","2016","7","14","2501","","10.1039/C6PY00206D","","x-ray","1.5418","CuKα","","0.0222","0.0221","","","0.0557","0.0558","","","","","","1.001","","","","has coordinates","181811","2020-10-21","18:00:00",""
"1542784","9.076","0.0013","8.9616","0.0013","22.501","0.003","90","","93.554","0.007","90","","1826.6","0.4","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C39 H46 N6 O7 -","- C39 H46 N6 O7 -","- C78 H92 N12 O14 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0824","0.0579","","","0.1202","0.1304","","","","","","1.036","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1543122","12.99","0.003","4.2334","0.001","17.997","0.004","90","","101.476","0.002","90","","969.9","0.4","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H17 Br2 F N2 O2 -","- C22 H17 Br2 F N2 O2 -","- C44 H34 Br4 F2 N4 O4 -","2","1","","Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu","Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers","Polym. Chem.","2016","7","19","3311","","10.1039/C6PY00346J","","","0.71073","MoKα","","0.059","0.0352","","","0.0808","0.0917","","","","","","1.016","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543435","13.9587","0.0012","3.8076","0.0003","14.2557","0.0012","90","","111.997","0.003","90","","702.52","0.1","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","diketone","","- C22 H12 O2 -","- C22 H12 O2 -","- C44 H24 O4 -","2","1","","Yang, Xuejin; Shi, Xueliang; Aratani, Naoki; Gonçalves, Théo P.; Huang, Kuo-Wei; Yamada, Hiroko; Chi, Chunyan; Miao, Qian","Benzo[4,5]cyclohepta[1,2-b]fluorene: an isomeric motif for pentacene containing linearly fused five-, six- and seven-membered rings","Chem. Sci.","2016","7","9","6176","","10.1039/C6SC01795A","","","0.71073","MoKα","","0.0453","0.0369","","","0.0853","0.0895","","","","","","1.036","","","","has coordinates","186343","2020-10-21","18:00:00",""
"1544144","13.856","0.002","4.5401","0.0007","11.926","0.002","90","","111.173","0.005","90","","699.59","0.19","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-(4-Nitrophenyl)acetate 2-amino-4-methylpyridin-1-ium","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","BG4002","Sivakumar, P.; Anzline, C.; Israel, S.; Chakkaravarthi, G.","2-(4-Nitrophenyl)acetate 2-amino-4-methylpyridin-1-ium","IUCrData","2016","1","9","x161433","","10.1107/S2414314616014334","","","0.71073","MoKα","","0.0832","0.046","","","0.0843","0.1011","","","","","","1.034","","","","has coordinates,has Fobs","186610","2020-10-21","18:00:00",""
"1544309","7.6704","0.0008","13.2898","0.0013","9.0627","0.0009","90","","107.22","0.006","90","","882.42","0.16","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>E</i>)-<i>N</i>'-Benzylidene-2-phenylquinoline-4-carbohydrazide","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C46 H34 N6 O2 -","2","1","SU4080","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Albayati, Mustafa R.; Ahmed, Ehab A.","(<i>E</i>)-<i>N</i>'-Benzylidene-2-phenylquinoline-4-carbohydrazide","IUCrData","2016","1","10","x161544","","10.1107/S2414314616015443","","","1.54178","CuKα","","0.0428","0.0369","","","0.0817","0.0868","","","","","","1.074","","","","has coordinates,has Fobs","187409","2020-10-21","18:00:00",""
"1544348","10.178","0.004","10.104","0.004","12.72","0.005","90","","108.216","0.006","90","","1242.5","0.8","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H17 N O Si -","- C11 H17 N O Si -","- C44 H68 N4 O4 Si4 -","4","2","","Liu, Pei; Tang, Jinghua; Zeng, Xiaoming","Site-Selective Silylation of Aliphatic C-H Bonds Mediated by [1,5]-Hydrogen Transfer: Synthesis of α-Sila Benzamides.","Organic letters","2016","18","21","5536","5539","10.1021/acs.orglett.6b02784","","","0.71073","MoKα","","0.1578","0.133","","","0.3229","0.353","","","","","","1.261","","","","has coordinates","187970","2020-10-21","18:00:00",""
"1544424","8.5173","0.0009","5.5799","0.0006","28.549","0.003","90","","95.813","0.001","90","","1349.8","0.2","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","zl-i-04151","","","- C16 H12 F N O3 -","- C16 H12 F N O3 -","- C64 H48 F4 N4 O12 -","4","2","","Wu, Hongmiao; Yang, Bin; Zhu, Lin; Lu, Ronghua; Li, Guigen; Lu, Hongjian","High-Valent Palladium-Promoted Formal Wagner-Meerwein Rearrangement.","Organic letters","2016","18","22","5804","","10.1021/acs.orglett.6b02706","","","0.71073","MoKα","","0.1656","0.1117","","","0.2685","0.2946","","","","","","1.095","","","","has coordinates","188912","2020-10-21","18:00:00",""
"1544827","19.4439","0.0006","7.6801","0.0001","19.4527","0.0005","90","","118.711","0.004","90","","2547.75","0.15","130","2","130","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0583","0.0464","","","0.1523","0.1553","","","","","","1.042","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544828","19.459","0.0009","7.6795","0.0002","19.492","0.0009","90","","118.687","0.006","90","","2555.3","0.2","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0594","0.0555","","","0.1521","0.1549","","","","","","1.04","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544829","19.4906","0.0005","7.6827","0.0001","19.5367","0.0004","90","","118.651","0.003","90","","2567.23","0.12","180","2","180","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0584","0.0461","","","0.1534","0.1574","","","","","","1.01","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544830","19.513","0.0011","7.6986","0.0004","19.589","0.001","90","","118.61","0.006","90","","2583.4","0.3","210","2","210","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.1071","0.0535","","","0.0802","0.1147","","","","","","1.003","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544831","19.52","0.0012","7.7018","0.0003","19.601","0.0012","90","","118.593","0.008","90","","2587.4","0.3","220","2","220","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.1035","0.0565","","","0.085","0.1216","","","","","","1.085","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544832","19.527","0.0013","7.7049","0.0003","19.617","0.0012","90","","118.58","0.008","90","","2591.8","0.3","230","2","230","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0808","0.0567","","","0.0804","0.1188","","","","","","1.087","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544833","19.53","0.0014","7.7094","0.0003","19.629","0.0013","90","","118.57","0.009","90","","2595.6","0.4","240","2","240","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0847","0.057","","","0.0746","0.1104","","","","","","1.082","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544834","19.533","0.0014","7.7136","0.0003","19.638","0.0014","90","","118.556","0.009","90","","2598.9","0.4","250","2","250","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.1002","0.062","","","0.087","0.1269","","","","","","1.02","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544835","19.539","0.0013","7.718","0.0003","19.652","0.0013","90","","118.54","0.009","90","","2603.4","0.3","260","2","260","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0992","0.0577","","","0.081","0.1209","","","","","","1.067","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544836","19.544","0.0014","7.7236","0.0003","19.666","0.0014","90","","118.528","0.009","90","","2608.1","0.4","270","2","270","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.1092","0.0592","","","0.0856","0.121","","","","","","1.01","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544837","19.557","0.0014","7.7351","0.0004","19.684","0.0014","90","","118.51","0.009","90","","2616.6","0.4","290","2","290","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.109","0.0581","","","0.0795","0.1127","","","","","","1","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1544838","19.559","0.0017","7.7357","0.0004","19.689","0.0015","90","","118.499","0.016","90","","2618","0.5","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","3-(trimethylammonium)-benzoic acid iodide hydrate","3-(trimethylammonium)-benzoic acid iodide hydrate","","- C10 H16 I N O3 -","- C10 H16 I N O3 -","- C80 H128 I8 N8 O24 -","8","4","","Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław","Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate","Structural Chemistry","2016","","","","","10.1007/s11224-016-0889-4","","","0.71073","MoKα","","0.0998","0.0594","","","0.0902","0.1176","","","","","","1.006","","","","has coordinates","189303","2020-10-21","18:00:00",""
"1545005","31.7209","0.0005","19.3373","0.0002","50.4748","0.0007","90","","96.0619","0.0014","90","","30787.9","0.7","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C301 H348 N8 O17 Zn -","- C301 H348 N8 O17 Zn -","- C1204 H1392 N32 O67.9998 Zn4 -","4","2","","Kohn, Daniel R.; Movsisyan, Levon D.; Thompson, Amber L.; Anderson, Harry L.","Porphyrin-Polyyne [3]- and [5]Rotaxanes.","Organic letters","2017","19","2","348","351","10.1021/acs.orglett.6b03528","","","0.6889","synchrotron","","0.1407","0.1236","","0.3567","0.3163","0.3567","","","","","","1.0067","","","","has coordinates,has disorder","191380","2020-10-21","18:00:00",""
"1545420","9.3221","0.0008","14.4831","0.0012","11.779","0.001","90","","99.289","0.002","90","","1569.5","0.2","273","2","273","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31 H44 N O Sc Si2 -","- C31 H44 N O Sc Si2 -","- C62 H88 N2 O2 Sc2 Si4 -","2","1","","Lin, Fei; Wang, Meiyan; Pan, Yupeng; Tang, Tao; Cui, Dongmei; Liu, Bo","Sequence and Regularity Controlled Coordination Copolymerization of Butadiene and Styrene: Strategy and Mechanism","Macromolecules","2017","50","3","849","","10.1021/acs.macromol.6b02413","","","0.71073","MoKα","","0.0804","0.0528","","","0.0993","0.1134","","","","","","1.028","","","","has coordinates","193325","2020-10-21","18:00:00",""
"1545515","8.4867","0.0002","11.5788","0.0002","16.5698","0.0004","90","","92.762","0.004","90","","1626.35","0.06","223","2","223","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H16 I2 -","- C16 H16 I2 -","- C64 H64 I8 -","4","2","","Janhsen, B.; Daniliuc, C. G.; Studer, A.","Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems","Chem. Sci.","2017","8","5","3547","","10.1039/C7SC00100B","","","0.71073","MoKα","","0.0357","0.0335","","","0.0767","0.0786","","","","","","1.07","","","","has coordinates,has disorder","196325","2020-10-21","18:00:00",""
"1545834","11.3972","0.0007","18.1641","0.0003","10.338","0.003","90","","97.046","0.016","90","","2124","0.6","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","ACETAZOLAMIDE;6 Me 2 PYRIDONE","","","- C10 H13 N5 O4 S2 -","- C10 H13 N5 O4 S2 -","- C60 H78 N30 O24 S12 -","6","3","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0423","0.0397","","","0.1037","0.1071","","","","","","1.022","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1546210","9.198","0.006","9.442","0.004","15.292","0.007","90","","104.995","0.01","90","","1282.8","1.2","298","","298","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","2","","Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang","Toward the Total Synthesis of Eurifoloid A.","Organic letters","2017","19","10","2742","2745","10.1021/acs.orglett.7b01102","","","0.71073","MoKα","","0.0939","0.0733","","","0.1764","0.2425","","","","","","1.241","","","","has coordinates","197355","2020-10-21","18:00:00",""
"1546515","16.1179","0.0019","16.1688","0.0019","15.2936","0.0018","90","","107.19","0.004","90","","3807.6","0.8","150","","150","","","","","","","","synthesis as described","7","P 1 c 1","P -2yc","7","","","","- C38.5 H36 Cl N3 O3 P2 Ru -","- C38.5 H36 Cl N3 O3 P2 Ru -","- C154 H144 Cl4 N12 O12 P8 Ru4 -","4","2","","Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu","Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00932A","","x-ray","0.71073","MoKα","","0.0853","0.0732","","","0.1982","0.2105","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546818","8.447","0.003","11.738","0.005","19.66","0.006","90","","107.207","0.012","90","","1862.1","1.2","298","2","298","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C37 H22 F3 Fe I4 N5 O2 -","- C37 H22 F3 Fe I4 N5 O2 -","- C74 H44 F6 Fe2 I8 N10 O4 -","2","1","","Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc","Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network","Chemical Communications","2017","53","74","10283","10286","10.1039/C7CC03797J","","","0.71073","MoKα","","0.1241","0.0471","","","0.0602","0.0735","","","","","","0.972","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546819","8.3692","0.0002","11.5822","0.0002","19.5061","0.0005","90","","106.785","0.002","90","","1810.24","0.07","250","","250","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C38 H22 F3 Fe I4 N4 O2 -","- C38 H22 F3 Fe I4 N4 O2 -","- C76 H44 F6 Fe2 I8 N8 O4 -","2","1","","Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc","Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network","Chemical Communications","2017","53","74","10283","10286","10.1039/C7CC03797J","","x-ray","0.71073","MoKα","","0.04","0.0287","","","0.0411","0.0438","","","","","","0.977","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1548573","11.75","0.0005","11.0269","0.0004","13.1973","0.0005","90","","97.3307","0.0014","90","","1695.95","0.11","120","","120","","","","","","","","","8","P 1 c 1","P -2yc","7","","Bis-3,4,5-trifluorophenylborinic acid ethylenediamine complex","","- C14.5 H13 B Cl1.5 D0.5 F6 N2 O -","- C14.5 H13 B Cl1.5 D0.5 F6 N2 O -","- C58 H52 B4 Cl6 D2 F24 N8 O4 -","4","2","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0535","0.0459","","","0.1211","0.1267","","","","","","1.019","","","","has coordinates,has disorder","228717","2020-10-21","18:00:00",""
"1548662","9.3061","0.0008","7.8838","0.0007","14.9171","0.0012","90","","100.72","0.002","90","","1075.33","0.16","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H24 B5 Hf2 -","- C20 H24 B5 Hf2 -","- C40 H48 B10 Hf4 -","2","1","","De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal","[(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.","Chemical science","2018","9","7","1976","1981","10.1039/c7sc05014c","","","0.71073","MoKα","","0.0497","0.0396","","","0.0911","0.0968","","","","","","1.022","","","","has coordinates","228789","2020-10-21","18:00:00",""
"1549666","5.7029","0.0002","4.0346","0.0001","28.9081","0.001","90","","90.751","0.003","90","","665.09","0.04","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","2-Oxo-2<i>H</i>-chromen-7-yl 4-methylbenzoate","","- C17 H12 O4 -","- C17 H12 O4 -","- C34 H24 O8 -","2","1","BH4038","Djandé, Abdoulaye; Abou, Akoun; Kini, Félix; Kambo, Konan René; Giorgi, Michel","2-Oxo-2<i>H</i>-chromen-7-yl 4-methylbenzoate","IUCrData","2018","3","7","x180927","","10.1107/S2414314618009276","","","1.54184","CuKα","","0.0312","0.0297","","","0.0783","0.0794","","","","","","1.122","","","","has coordinates,has Fobs","208908","2020-10-21","18:00:00",""
"1550191","11.6597","0.0007","16.9613","0.0011","12.2584","0.0008","90","","116.63","0.002","90","","2167.1","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C52 H56 Co N5 Ni -","- C52 H56 Co N5 Ni -","- C104 H112 Co2 N10 Ni2 -","2","1","","Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S.","Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex","Chemical Science","2019","","","","","10.1039/C8SC03719A","","","0.71073","MoKα","","0.0623","0.0595","","","0.1545","0.1575","","","","","","1.07","","","","has coordinates","211811","2020-10-21","18:00:00",""
"1550844","12.8109","0.0013","19.708","0.002","11.4152","0.0012","90","","108.649","0.001","90","","2730.8","0.5","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine","","- C24 H18 N4 -","- C24 H18 N4 -","- C144 H108 N24 -","6","3","HB4273","Cheng, Xingwang; Du, Yanan; Guo, Hui; Chen, Zhiyuan; Tian, Yupeng","4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine","IUCrData","2019","4","4","x190295","","10.1107/S2414314619002955","","","0.71073","MoKα","","0.0545","0.0431","","","0.0982","0.1046","","","","","","1.054","","","","has coordinates,has Fobs","214505","2020-10-21","18:00:00",""
"1550880","8.4771","0.0002","16.0726","0.0004","15.7922","0.0003","90","","103.958","0.001","90","","2088.14","0.08","180","2","180","2","","","","","","","","5","P 1 c 1","P -2yc","7","","1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate","","- C21 H25 Cl N2 O4 -","- C21 H25 Cl N2 O4 -","- C84 H100 Cl4 N8 O16 -","4","2","SJ4202","Wang, Ruiyao; Aquino, Manuel A.S.","1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate","IUCrData","2019","4","4","x190494","","10.1107/S2414314619004942","","","0.71073","MoKα","","0.0473","0.0378","","","0.0918","0.0987","","","","","","1.037","","","","has coordinates,has Fobs","214631","2020-10-21","18:00:00",""
"1552415","12.50104","0.00004","9.28018","0.00003","30.05829","0.0001","90","","90.652","0.0003","90","","3486.89","0.02","199.99","0.1","199.99","0.1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H23 N2 O2 P Se2 -","- C14 H23 N2 O2 P Se2 -","- C112 H184 N16 O16 P8 Se16 -","8","4","","Newton, Turner; Pluth, Michael D.","Development of a Hydrolysis-Based Small-Molecule Hydrogen Selenide (H2Se) Donor","Chemical Science","2019","","","","","10.1039/C9SC04616J","","x-ray","1.54184","CuKα","","0.0245","0.0241","","","0.063","0.0632","","","","","","1.036","","","","has coordinates","219302","2020-10-21","18:00:00",""
"1553070","18.2723","0.0016","5.5654","0.0004","8.7266","0.0007","90","","103.633","0.004","90","","862.43","0.12","193","2","193","2","","","","","","","synthesis as described","4","P 1 c 1","P -2yc","7","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C42 H42 N6 O2 -","2","1","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","x-ray","0.71073","MoKα","","0.0506","0.0412","","","0.1059","0.1114","","","","","","1.039","","","","has coordinates","233021","2020-10-21","18:00:00",""
"1553090","10.6012","0.0007","10.7318","0.0007","16.8601","0.0011","90","","105.327","0.002","90","","1849.9","0.2","149","2","149","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C37 H20 B2 Cl2 F20 N2 -","- C37 H20 B2 Cl2 F20 N2 -","- C74 H40 B4 Cl4 F40 N4 -","2","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0283","0.0258","","","0.0615","0.0628","","","","","","1.053","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553468","9.4647","0.0007","12.7252","0.0009","11.5908","0.0008","90","","108.624","0.001","90","","1322.9","0.16","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H15 Cl N2 Pd -","- C14 H15 Cl N2 Pd -","- C56 H60 Cl4 N8 Pd4 -","4","2","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","","0.71075","MoKα","","0.0332","0.0331","","","0.0883","0.0884","","","","","","1.097","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553645","13.6092","0.0004","14.5112","0.0004","14.1222","0.0004","90","","90.875","0.001","90","","2788.61","0.14","100","","99.87","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C25 H30 B2 F10 N6 Zn -","- C24.9995 H29.9985 B2 F10.0005 N6 Zn -","- C99.998 H119.994 B8 F40.002 N24 Zn4 -","4","2","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0511","0.0429","","","0.1042","0.1088","","","","","","1.025","","","","has coordinates,has disorder","235370","2020-10-21","18:00:00",""
"1553933","9.9528","0.001","5.6608","0.0006","10.1737","0.0008","90","","119.444","0.007","90","","499.16","0.09","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C20 H30 N2 O6 -","2","1","","Peter, Clovis; Geoffroy, Philippe; Miesch, Michel","Highly diastereoselective access to polyfunctionalized 1,3-oxazines promoted by Brønsted/Lewis acids","Organic Chemistry Frontiers","2018","5","4","566","","10.1039/C7QO00891K","","","0.71073","MoKα","","0.0356","0.0326","","","0.0793","0.0816","","","","","","1.044","","","","has coordinates","236174","2020-10-21","18:00:00",""
"1554398","7.0556","0.0003","15.3824","0.0005","10.7866","0.0005","90","","108.471","0.003","90","","1110.38","0.08","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(3,4,5-trimethoxybenzyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C46 H58 N2 O14 -","2","1","","Boichenko, Maksim A.; Ivanova, Olga A.; Andreev, Ivan A.; Chagarovskiy, Alexey O.; Levina, Irina I.; Rybakov, Victor B.; Skvortsov, Dmitriy A.; Trushkov, Igor V.","Convenient approach to polyoxygenated dibenzo[c,e]pyrrolo[1,2-a]azepines from donor‒acceptor cyclopropanes","Organic Chemistry Frontiers","2018","5","19","2829","","10.1039/C8QO00742J","","","1.54186","CuKα","","0.0433","0.0421","","","0.1117","0.1128","","","","","","1.043","","","","has coordinates","237191","2020-10-21","18:00:00",""
"1554522","7.6453","0.0019","11.642","0.003","9.808","0.003","90","","102.969","0.008","90","","850.7","0.4","173","","173","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H20 N O3 P -","- C18 H20 N O3 P -","- C36 H40 N2 O6 P2 -","2","1","","Yang, Qiaolan; Wu, Chenglin; Zhou, Jianhui; He, Guoxue; Liu, Hong; Zhou, Yu","Highly selective C‒H bond activation of N-arylbenzimidamide and divergent couplings with diazophosphonate compounds: a catalyst-controlled selective synthetic strategy for 3-phosphorylindoles and 4-phosphorylisoquinolines","Organic Chemistry Frontiers","2019","6","3","393","","10.1039/C8QO01148F","","","0.71073","MoKα","","0.0904","0.0586","","","0.1416","0.1677","","","","","","0.883","","","","has coordinates","237309","2020-10-21","18:00:00",""
"1554533","21.0827","0.0015","8.2829","0.0006","8.2169","0.0004","90","","95.222","0.002","90","","1428.93","0.16","200","2","200","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","2","","Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung","Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides","Organic Chemistry Frontiers","2019","6","2","226","","10.1039/C8QO01175C","","","0.71073","MoKα","","0.0603","0.0448","","","0.1034","0.1156","","","","","","1.013","","","","has coordinates","237315","2020-10-21","18:00:00",""
"1554819","15.277","0.0004","8.0788","0.0002","21.7171","0.0005","90","","98.481","0.001","90","","2651.01","0.11","170","2","169.96","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H31 Ag F6 N2 P2 -","- C24 H31 Ag F6 N2 P2 -","- C96 H124 Ag4 F24 N8 P8 -","4","2","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","1.34139","GaKα","","0.0435","0.0405","","","0.0968","0.0997","","","","","","1.036","","","","has coordinates","238138","2020-10-21","18:00:00",""
"1555079","14.099","0.002","5.2916","0.0009","9.1495","0.0016","90","","101.496","0.007","90","","668.92","0.19","273","2","273","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C32 H26 N2 O6 -","2","1","","He, Guangke; Li, Yuan; Yu, Zilun; Chen, Zhaoqiang; Tang, Yongming; Song, Guangliang; Loh, Teck-Peng","Selectfluor™-catalyzed oxidative cyclization of ynamides enables facile synthesis of oxazolidine-2,4-diones","Organic Chemistry Frontiers","2019","6","21","3644","","10.1039/C9QO00845D","","","0.71073","MoKα","","0.0506","0.041","","","0.1183","0.1268","","","","","","1.067","","","","has coordinates,has disorder","238305","2020-10-21","18:00:00",""
"1555433","8.9711","0.0012","9.9056","0.0012","10.1296","0.0013","90","","94.135","0.003","90","","897.8","0.2","130","","130","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C19 H18 F3 N O2 S -","- C19 H18 F3 N O2 S -","- C38 H36 F6 N2 O4 S2 -","2","1","","Zhu, Zi-Zhong; Chen, Kai; Yu, Liu-Zhu; Tang, Xiang-Ying; Shi, Min","Copper(I)-Catalyzed Intramolecular Trifluoromethylation of Methylenecyclopropanes.","Organic letters","2015","17","24","5994","5997","10.1021/acs.orglett.5b02940","","","0.71073","MoKα","","0.0846","0.0743","","","0.1954","0.209","","","","","","1.02","","","","has coordinates","238665","2020-10-21","18:00:00",""
"1555537","14.011","0.0003","16.7528","0.0003","20.7802","0.0004","90","","105.001","0.007","90","","4711.4","0.2","123","","123","","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C46 H39 Au2 F6 N O5 P2 S3 -","- C46 H39 Au2 F6 N O5 P2 S3 -","- C184 H156 Au8 F24 N4 O20 P8 S12 -","4","2","","Tamai, Taichi; Fujiwara, Keiko; Higashimae, Shinya; Nomoto, Akihiro; Ogawa, Akiya","Gold-Catalyzed Anti-Markovnikov Selective Hydrothiolation of Unactivated Alkenes.","Organic letters","2016","18","9","2114","2117","10.1021/acs.orglett.6b00746","","","0.71075","MoKα","","0.032","0.0294","","","0.073","0.0741","","","","","","1.062","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1555834","7.26017","0.00016","9.48057","0.00019","11.4368","0.0003","90","","91.943","0.002","90","","786.75","0.03","100.05","0.1","100.05","0.1","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C9 H6 O5 -","- C9 H6 O5 -","- C36 H24 O20 -","4","2","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0415","0.0385","","","0.1005","0.1035","","","","","","1.037","","","","has coordinates,has disorder","239162","2020-10-21","18:00:00",""
"1556107","11.8381","0.0013","11.6026","0.0008","22.301","0.002","90","","104.522","0.007","90","","2965.2","0.5","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C27 H40 O Si2 Sn -","- C27 H40 O Si2 Sn -","- C108 H160 O4 Si8 Sn4 -","4","2","","Simpkins, Simon M. E.; Kariuki, Benson M.; Aricó, Caterina S; Cox, Liam R.","Stereoselective synthesis of beta-(chloro)vinylsilanes using a regio- and (E)-stereoselective bis-stannylation of unsymmetrically substituted butadiynes: application to the synthesis of a masked triyne.","Organic letters","2003","5","21","3971","3974","10.1021/ol035536e","","","1.54178","CuKα","","0.0575","0.0456","","","0.1032","0.1089","","","","","","1.038","","","","has coordinates","243470","2020-10-21","18:00:00",""
"1556196","11.3125","0.0006","9.5581","0.0005","12.1929","0.0006","90","","111.496","0.0007","90","","1226.66","0.11","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C29 H31 B N2 O2 -","- C29 H31 B N2 O2 -","- C58 H62 B2 N4 O4 -","2","1","","Shaban Ragab, Sherif; Swaminathan, Subramani; Deniz, Erhan; Captain, Burjor; Raymo, Françisco M","Fluorescence photoactivation by ligand exchange around the boron center of a BODIPY chromophore.","Organic letters","2013","15","12","3154","3157","10.1021/ol401380n","","","0.71073","MoKα","","0.045","0.0393","","","0.1052","0.1102","","","","","","1.062","","","","has coordinates,has disorder","243550","2020-10-21","18:00:00",""
"1557027","28.173","0.003","16.4313","0.0017","20.453","0.002","90","","90.107","0.004","90","","9468.1","1.7","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C66 H30 Al3 Ba F89 O9 -","- C66 H30 Al3 Ba F89 O9 -","- C264 H120 Al12 Ba4 F356 O36 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","","0.71073","MoKα","","0.0355","0.0323","","","0.0751","0.0768","","","","","","0.942","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1559370","6.2565","0.001","9.4325","0.001","16.395","0.002","90","","96.178","0.004","90","","961.9","0.2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H21 O3 P -","- C24 H21 O3 P -","- C48 H42 O6 P2 -","2","1","","Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu","Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis","Chemical Science","2020","","","","","10.1039/D0SC02972F","","","0.71073","MoKα","","0.0263","0.0252","","","0.0678","0.0685","","","","","","1.025","","","","has coordinates","258438","2020-10-21","18:00:00",""
"1559720","8.5961","0.0004","10.5095","0.0003","19.1188","0.0009","90","","99.139","0.004","90","","1705.28","0.12","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C36 H54 N2 Si Zn -","- C36 H54 N2 Si Zn -","- C72 H108 N4 Si2 Zn2 -","2","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","x-ray","0.71073","MoKα","","0.0345","0.0293","","","0.0659","0.0671","","","","","","0.986","","","","has coordinates,has disorder","259673","2020-12-09","02:09:54",""
"1559777","19.0865","0.0008","6.767","0.0003","17.3518","0.0007","90","","109.354","0.001","90","","2114.48","0.16","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0391","0.0381","","","0.0991","0.1005","","","","","","1.045","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559856","9.294","0.0005","15.3277","0.0007","11.7365","0.0005","90","","107.92","0.002","90","","1590.82","0.13","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C30 H50 B2 N2 Ni O2 P2 -","- C30 H49.532 B2 N2 Ni O2 P2 -","- C60 H99.064 B4 N4 Ni2 O4 P4 -","2","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.56087","AgKα","","0.0504","0.0425","","","0.0988","0.1029","","","","","","1.053","","","","has coordinates,has disorder","267094","2021-07-05","16:57:21",""
"1559949","27.3848","0.0012","9.0015","0.0004","8.8216","0.0003","90","","95.999","0.001","90","","2162.65","0.15","290","2","290","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H34 I12 N4 Pb3 -","- C10 H34 I12 N4 Pb3 -","- C20 H68 I24 N8 Pb6 -","2","1","","Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua","A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection","Chemical Science","2021","12","8","3050","3054","10.1039/D0SC06112C","","","0.71073","MoKα","","0.0783","0.0627","","","0.1686","0.1831","","","","","","1.038","","","","has coordinates","263689","2021-04-05","14:20:16",""
"1560209","11.4093","0.0001","28.8937","0.0001","17.7109","0.0001","90","","104.338","0.001","90","","5656.66","0.07","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C63 H66 Cu3 N9 -","- C63 H66 Cu3 N9 -","- C252 H264 Cu12 N36 -","4","2","","Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan","Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex","Chemical Science","2021","12","12","4425","4431","10.1039/D0SC07058K","","x-ray","1.54184","CuKα","","0.1009","0.099","","","0.251","0.2556","","","","","","1.226","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1561085","16.902","0.0007","9.4331","0.0005","15.2863","0.0007","90","","113.371","0.003","90","","2237.26","0.19","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C27 H29 B O -","- C27 H29 B O -","- C108 H116 B4 O4 -","4","2","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0653","0.0551","","","0.1371","0.1435","","","","","","1.105","","","","has coordinates","264892","2021-05-05","08:24:45",""
"1561395","10.954","0.004","9.664","0.004","17.412","0.007","90","","97.711","0.005","90","","1826.6","1.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C43 H28 Ag2 N4 O10 -","- C43 H28 Ag2 N4 O10 -","- C86 H56 Ag4 N8 O20 -","2","1","","Wu, Xue-Qian; Wen, Guo-Xuan; Wu, Ya-Pan; Dong, Wen-Wen; Zhao, Jun; Li, Dong-Sheng","A novel 3D Ag(I)-MOF: Surfactant-directed syntheses and catalytic degradation of o/m/p-Nitrophenol","Journal of Solid State Chemistry","2016","242","","243","247","10.1016/j.jssc.2016.08.001","","","0.71073","MoKα","","0.0386","0.0346","","","0.0847","0.1001","","","","","","1.068","","","","has coordinates","263490","2021-03-31","09:40:35",""
"1562167","7.5201","0.0002","6.1363","0.0002","29.1109","0.0007","90","","93.778","0.002","90","","1340.42","0.07","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H13 F O2 S -","- C16 H13 F O2 S -","- C64 H52 F4 O8 S4 -","4","2","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0318","0.0295","","0.0754","0.0734","0.0754","","","","","","1.0019","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562429","9.961","0.0008","8.9243","0.0007","9.7204","0.0007","90","","106.943","0.003","90","","826.59","0.11","183","2","183","2","","","","","","","","6","P 1 c 1","P -2yc","7","","(Cobaltoceniumylamido)pyridinium hexafluoridophosphate","","- C15 H14 Co F6 N2 P -","- C15 H14 Co F6 N2 P -","- C30 H28 Co2 F12 N4 P2 -","2","1","BV4038","Menia, Daniel; Höfer, Thomas; Wurst, Klaus; Bildstein, Benno","(Cobaltoceniumylamido)pyridinium hexafluoridophosphate","IUCrData","2021","6","5","","","10.1107/S2414314621004600","","","0.71073","MoKα","","0.0456","0.0373","","","0.0896","0.0932","","","","","","1.045","","","","has coordinates,has Fobs","265057","2021-05-08","07:53:47",""
"1562553","11.8776","0.0006","4.6452","0.0002","12.931","0.0006","90","","113.246","0.006","90","","655.53","0.06","119.99","0.11","119.99","0.11","","","","","","","","6","P 1 c 1","P -2yc","7","","3-(1,3,2-benzodioxaborole)5-bromo-N-methylindole","","- C15 H11 B Br N O2 -","- C15 H11 B Br N O2 -","- C30 H22 B2 Br2 N2 O4 -","2","1","","Grundy, Matthew; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Zinc catalysed electrophilic C-H borylation of heteroarenes","Chemical Science","2021","","","","","10.1039/D1SC01883C","","x-ray","0.71073","MoKα","","0.0356","0.0312","","","0.0668","0.0691","","","","","","1.041","","","","has coordinates","265202","2021-05-14","01:08:04",""
"1563506","6.2434","0.0003","21.3584","0.001","6.8938","0.0003","90","","93.118","0.002","90","","917.92","0.07","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H15 N3 O8 -","- C19 H15 N3 O8 -","- C38 H30 N6 O16 -","2","1","BH4062","Howarth, Alexis; Barbosa, Tony J.; Zeller, Matthias; Hillesheim, Patrick C.","Pyridinium 3-nitrobenzoate‒3-nitrobenzoic acid (1/1)","IUCrData","2021","6","6","x210581","","10.1107/S2414314621005812","","","0.71073","MoKα","","0.0564","0.0439","","","0.0995","0.107","","","","","","1.052","","","","has coordinates,has Fobs","266483","2021-06-16","04:54:48",""
"1563533","6.6436","0.0007","9.1155","0.001","16.003","0.019","90","","90.97","","90","","969","1.2","223","2","223","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H22 Cl8 Cr2 N2 -","- C8 H22 Cl8 Cr2 N2 -","- C16 H44 Cl16 Cr4 N4 -","2","1","","Ai, Yong; Sun, Rong; Zeng, Yu-Ling; Liu, Jun-Chao; Tang, Yuan-Yuan; Wang, Bing-Wu; Wang, Zheming; Gao, Song; Xiong, Ren-Gen","Coexistence of Magnetic and Electric Orderings in a Divalent Cr2±Based Multiaxial Molecular Ferroelectric","Chemical Science","2021","","","","","10.1039/D1SC01871J","","","0.71073","MoKα","","0.093","0.0861","","","0.2384","0.2438","","","","","","1.002","","","","has coordinates","266508","2021-06-17","01:21:41",""
"1563811","10.5963","0.0008","10.7434","0.0008","21.9612","0.0016","90","","98.703","0.002","90","","2471.3","0.3","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C57 H47 B D6 F10 N P -","- C57 H47 B D6 F10 N P -","- C114 H94 B2 D12 F20 N2 P2 -","2","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","0.71073","MoKα","","0.0693","0.0438","","","0.0843","0.0947","","","","","","1.017","","","","has coordinates","266825","2021-07-01","01:12:19",""
"1564296","15.3466","0.0017","8.6064","0.0009","16.288","0.002","90","","111.816","0.003","90","","1997.2","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H17 Co N9 O7 -","- C14 H17 Co N9 O7 -","- C56 H68 Co4 N36 O28 -","4","2","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand","Inorganica Chimica Acta","2020","510","","119753","","10.1016/j.ica.2020.119753","","","0.71073","MoKα","","0.0684","0.0509","","","0.124","0.1342","","","","","","1.005","","","","has coordinates,has disorder","267861","2021-07-31","09:01:07",""
"1564327","11.1315","0.0007","8.3917","0.0005","15.5384","0.001","90","","109.425","0.003","90","","1368.85","0.15","273.15","","273.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H14 F4 O2 S -","- C13 H14 F4 O2 S -","- C52 H56 F16 O8 S4 -","4","2","","Dong, Xinrui; Jiang, Wenhua; Hua, Dexiang; Wang, Xiaohui; Xu, Liang; Wu, Xiaoxing","Radical-Mediated Vicinal Addition of Alkoxysulfonyl/Fluorosulfonyl and Trifluoromethyl Groups to Aryl Alkyl Alkynes","Chemical Science","2021","","","","","10.1039/D1SC03315H","","","1.54178","CuKα","","0.0249","0.0246","","","0.0623","0.0625","","","","","","1.068","","","","has coordinates","267949","2021-08-05","00:36:54",""
"1564384","12.2252","0.0004","12.1333","0.0004","22.9886","0.0008","90","","90.0171","0.0016","90","","3409.9","0.2","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C36.32 H47.29 N4 O3.32 -","- C36.323 H47.292 N4 O3.323 -","- C145.292 H189.168 N16 O13.292 -","4","2","","Chaudhri, Nivedita; Guberman-Pfeffer, Matthew J.; Li, Ruoshi; Zeller, Matthias; Brückner, Christian","β-Trioxopyrrocorphins: Pyrrocorphins of graded aromaticity","Chemical Science","2021","","","","","10.1039/D1SC03403K","","","1.54178","CuKα","","0.049","0.0463","","","0.1172","0.1197","","","","","","1.061","","","","has coordinates,has disorder","268163","2021-08-21","22:13:00",""
"1564741","26.489","0.003","7.2195","0.0007","6.2098","0.0006","90","","93.279","0.005","90","","1185.6","0.2","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C31 H23 N O3 -","- C31 H23 N O3 -","- C62 H46 N2 O6 -","2","1","","Mohite, S.S.; Patil-Deshmukh, A.B.; Chavan, S.S.","Ru(III)-pseudohalide complexes with alkynyl functionalized salicylaldimine ligand and heterocyclic coligand: Synthesis, characterization, electrochemical and luminescence properties","Inorganica Chimica Acta","2020","507","","119586","","10.1016/j.ica.2020.119586","","","1.54178","CuKα","","0.122","0.0732","","","0.1781","0.2045","","","","","","1.023","","","","has coordinates","269363","2021-09-29","07:42:39",""
"1565425","7.67","0.002","7.489","0.002","16.814","0.003","90","0.03","102.92","0.03","90","0.03","941.4","0.4","296","2","296.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H24 B9 N -","- C16 H24 B9 N -","- C32 H48 B18 N2 -","2","1","","Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong","Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums","Chemical Science","2021","","","","","10.1039/D1SC05296A","","x-ray","0.71073","MoKα","","0.0465","0.0409","","","0.1034","0.1087","","","","","","1.044","","","","has coordinates","270917","2021-11-29","23:19:39",""
"1565631","13.2419","0.0007","7.7558","0.0004","15.6016","0.0007","90","","108.253","0.002","90","","1521.68","0.13","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H30 N2 O10 S2 Zn -","- C28 H30 N2 O10 S2 Zn -","- C56 H60 N4 O20 S4 Zn2 -","2","1","","Sánchez-Férez, Francisco; Pou, Roger; Bayés-García, Laura; Font-Bardia, Mercè; Pons, Josefina; Ayllón, José A.","Benzoate substituents effects on the structure of Zn(II) complexes and 1D 4,4′-bipyridine derived coordination polymers","Inorganica Chimica Acta","2020","500","","119218","","10.1016/j.ica.2019.119218","","","0.71073","MoKα","","0.0765","0.0376","","","0.0612","0.0759","","","","","","1.097","","","","has coordinates","271306","2021-12-09","10:23:42",""
"1566171","3.7934","0.0008","20.911","0.004","10.908","0.002","90","","97.678","0.01","90","","857.5","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 c 1","P -2yc","7","","","","- C11 H6 N2 O2 -","- C11 H6 N2 O2 -","- C44 H24 N8 O8 -","4","2","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.0634","0.0416","","","0.0876","0.0974","","","","","","1.018","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1566673","5.7165","0.0001","12.1828","0.0002","14.7356","0.0002","90","","91.722","0.001","90","","1025.77","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H11 F O3 S -","- C10 H11 F O3 S -","- C40 H44 F4 O12 S4 -","4","2","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0308","0.0303","","","0.0798","0.0802","","","","","","1.021","","","","has coordinates","273877","2022-03-21","23:14:27",""
"1567948","12.1762","0.0001","11.5704","0.0001","7.9829","0.0001","90","","94.522","0.001","90","","1121.16","0.019","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C27 H27 N O3 S -","- C27 H27 N O3 S -","- C54 H54 N2 O6 S2 -","2","1","","Hernandez, Jackson; Frontier, Alison","Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC04750K","","x-ray","1.54184","CuKα","","0.045","0.0438","","","0.1208","0.1219","","","","","","1.097","","","","has coordinates","279213","2022-11-10","23:12:21",""
"1568216","11.1707","0.0015","3.8686","0.0005","30.877","0.004","90","","91.966","0.005","90","","1333.6","0.3","130","","130","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C34 H28 N4 O4 -","- C34 H28 N4 O4 -","- C68 H56 N8 O8 -","2","1","","Ruiz Martínez, Cristina; Pérez, Juana M.; Arrabal-Campos, Francisco M.; Rodríguez-Diéguez, Antonio; Choquesillo-Lazarte, Duane; Martínez-Lao, Juan A.; Ortuño, Manuel A.; Fernández, Ignacio","Lithium anthraquinoids as catalysts in the ROP of lactide and caprolactone into cyclic polymers","Polymer Chemistry","2023","14","4","452","461","10.1039/D2PY01076C","","","0.71073","MoKα","","0.0966","0.0771","","","0.1618","0.1699","","","","","","1.163","","","","has coordinates","281608","2023-03-04","18:47:25",""
"1568278","11.115","0.0006","7.4032","0.0005","41.998","0.003","90","","93.75","0.005","90","","3448.5","0.4","150","","150","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C32 H17 N5 -","- C32 H17 N5 -","- C192 H102 N30 -","6","3","","Chen, Jinqiu; Yang, Canglei; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Zhang, Jing","Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion.","Chemical science","2023","14","8","2091","2096","10.1039/d2sc05942h","","","1.54178","CuKα","","0.098","0.0684","","","0.1663","0.1892","","","","","","1.028","","","","has coordinates","281346","2023-03-04","17:49:01",""
"1568414","7.9798","0.0004","10.8805","0.0005","8.421","0.0004","90","","117.053","0.002","90","","651.15","0.06","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","0.71073","MoKα","","0.0317","0.0306","","","0.0803","0.0819","","","","","","1.063","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568640","19.03","0.0005","6.1666","0.0002","10.2233","0.0002","90","","97.346","0.002","90","","1189.86","0.06","122.97","0.11","122.97","0.11","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H17 P S -","- C12 H17 P S -","- C48 H68 P4 S4 -","4","2","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0654","0.0599","","","0.1648","0.1704","","","","","","1.057","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13",""
"1569202","10.7495","0.0018","11.9064","0.0017","19.424","0.003","90","","98.589","0.014","90","","2458.2","0.7","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","dyn[4]arene","","","- C37 H32.5 N2 O17.75 S8 -","- C37 H32.5 N2 O17.75 S8 -","- C74 H65 N4 O35.5 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","1.54184","CuKα","","0.1547","0.0917","","","0.2248","0.2683","","","","","","1.02","","","","has coordinates","286055","2023-09-05","19:15:40",""
"1570898","9.834","0.009","12.609","0.01","16.946","0.016","90","","90.94","0.03","90","","2101","3","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H30 N3 O6.5 S -","- C19 H30 N3 O6.5 S -","- C76 H120 N12 O26 S4 -","4","2","","Buikin, Petr A.; Vologzhanina, Anna V.; Korlyukov, Alexander A.","Sumatriptan Succinate Hemi(Ethanol Solvate)","Molbank","2024","2024","1","M1766","","10.3390/M1766","","","0.71073","MoKα","","0.0561","0.0467","","","0.1134","0.1188","","","","","","1.025","","","","has coordinates","289656","2024-02-05","03:59:15",""
"1571519","13.4572","0.0006","9.9639","0.0005","12.5603","0.0006","90","","102.524","0.002","90","","1644.09","0.14","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Sarah120723","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","2","","Scrivener, Sarah G.; Wang, Yiming","A C–H Functionalization Approach to Diverse Nitrogenous Scaffolds Through Conjugate Addition of Catalytic Allyliron Nucleophiles","Chemical Science","2024","","","","","10.1039/D4SC00655K","","","1.54184","CuKα","","0.0704","0.0695","","","0.1747","0.1759","","","","","","1.045","","","","has coordinates","291437","2024-05-01","22:12:24",""
"2000854","7.752","0.004","7.539","0.003","12.096","0.007","90","","106.77","0.04","90","","676.9","0.6","","","","","","","","","","","","6","P 1 c 1","","","","","","- C9 H18 F6 N O P -","- C9 H18 F6 N O P -","- C18 H36 F12 N2 O2 P2 -","2","1","HE0037","Simpson, S. J.","2,2,6,6-Tetramethyl-4-oxopiperidinium hexafluorophosphate","Acta Crystallographica Section C","1992","48","6","1137","1138","10.1107/S0108270191013252","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000949","12.434","0.002","11.913","0.003","18.822","0.004","90","","115.31","0.01","90","","2520.4","0.9","","","","","","","","","","","","5","P 1 c 1","P -2yc","","","","","- C18 H38 N2 S4 Sn -","- C18 H38 N2 S4 Sn -","- C72 H152 N8 S16 Sn4 -","4","2","MU0247","Vrábel, V.; Lokaj, J.; Kellö, E.; Garaj, J.; Batsanov, A. C.; Struchkov, Yu. T.","Structure of di(<i>n</i>-butyl)bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)tin(IV) at 153 K","Acta Crystallographica Section C","1992","48","4","633","635","10.1107/S0108270191010454","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000961","9.089","0.002","17.737","0.002","14.265","0.002","90","","125.65","0.02","90","","1868.7","0.7","","","","","","","","","","","","3","P 1 c 1","P -2yc","","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C104 H64 O16 -","8","4","AS0524","Mochida, T.; Matsumiya, S.; Izuoka, A.; Sato, N.; Sugawara, T.; Sugawara, Y.","Structure of 3-hydroxyphenalenone","Acta Crystallographica Section C","1992","48","4","680","683","10.1107/S010827019101048X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001058","13.219","0.001","7.072","0.001","6.527","0.002","90","","97.23","0.01","90","","605.3","0.2","","","","","","","","","","","","3","P 1 c 1","P -2yc","","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C30 H28 O6 -","2","1","HA0070","Gulbis, J. M.; Mackay, M. F.; Banwell, M. G.; Lambert, J. N.","Structures of colchicine analogues. V. 2-Methoxy-5-(4-methoxyphenyl)cyclohepta-2,4,6-trien-1-one","Acta Crystallographica Section C","1992","48","2","332","334","10.1107/S0108270191009411","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001321","10.326","0.003","6.706","0.002","9.761","0.005","90","","101.05","0.04","90","","663.4","0.4","299","2","","","","","","","","","","3","P 1 c 1","P -2yc","","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C30 H44 O4 -","2","1","OH1027","Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H.","Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV)","Acta Crystallographica Section C","1993","49","10","1854","1857","10.1107/S0108270193003750","","","0.71073","MoKα","","","0.045","","","0.049","","","","","2.15","2.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001492","9.941","0.008","8.884","0.005","16.41","0.02","90","","94.03","0.08","90","","1446","2","","","","","","","","","","","","6","P 1 c 1","P -2yc","","","","","- C5 H19 Co N5 O4.5 S3 -","- C5 H19 Co N5 O4.5 S3 -","- C20 H76 Co4 N20 O18 S12 -","4","2","CD1005","Tang, K.; Kastner, M. E.; Cooper, J. N.; Kanaskie, M.; Monoski, A.","Structures of <i>cis</i>- and <i>trans</i>-bis(ethylenediamine)(isothiocyanato)(thiosulfato)cobalt(III)","Acta Crystallographica Section C","1993","49","7","1265","1267","10.1107/S0108270193001970","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2001630","7.076","0.005","8.218","0.007","10.353","0.008","90","","105.2","0.04","90","","581","0.8","293","","","","","","","","","","","4","P 1 c 1","P -2yc","","","","","- C10 H18 N2 O7 -","- C10 H18 N2 O7 -","- C20 H36 N4 O14 -","2","1","KA1016","Kettmann, V.; Lokaj, J.; Ducamp-Sanguesa, C.; Figlarz, M.; Touboul, M.","Structure of <i>N</i>-(2-hydroxyethyl)ethylenediaminetriacetic acid","Acta Crystallographica Section C","1993","49","6","1182","1184","10.1107/S010827019201309X","","","0.71069","MoKα","","","0.034","","","0.042","","","","","0.86","0.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003435","6.025","0.004","7.566","0.004","9.588","0.005","90","","101.64","0.04","90","","428.1","0.4","293","","","","","","","","","","M\'ethanol","4","P 1 c 1","P -2yc","7","","","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","1","DU1031","Oddon, Y.; Reboul, J.-P.; Pèpe, G.; Siri, D.; Pucci, B.; Pavia, A. A.","2-Acrylamido-2-hydroxymethylpropan-1,3-diol","Acta Crystallographica Section C","1995","51","5","974","976","10.1107/S0108270194000636","","","1.5418","CuKα","","","0.031","","","0.031","","","","","0.21","0.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003923","15.12","0.01","10.72","0.01","21.58","0.02","90","","119.23","0.1","90","","3052","5","288","","288","","","","","","","","","7","P 1 c 1","P -2yc","7","","bis(4-benzyl-1,7-diphenyl-2,4,6-triazahepta-2,5-diene-κ^2^N^2^N^6^)mercury(II) tetrakis(trifluoroacetato)mercury(II) dichloromethane solvate","","- C54.7 H47.4 Cl1.4 F12 Hg2 N6 O8 -","- C55 Cl2 F12 Hg2 N6 O8 -","- C110 Cl4 F24 Hg4 N12 O16 -","2","1","LI1135","Breuer, S. W.; Small, R. W. H.","Bis(4-benzyl-1,7-diphenyl-2,4,6-triazahepta-2,5-diene-κ^2^<i>N</i>^2^,<i>N</i>^6^)mercury(II) Tetrakis(trifluoroacetato)mercury(II) Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","9","1784","1788","10.1107/S010827019500477X","","","0.7107","MoKα","","","0.049","","","0.045","","","","","1.676","1.676","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004060","10.712","0.004","9.902","0.001","19.562","0.003","90","","101.25","0.02","90","","2035.1","0.9","290","","290","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C13 H12 O -","- C13 H11 O -","- C104 H88 O8 -","8","4","PA1180","Rajnikant; Watkin, D.; Tranter, G.","Biphenyl-2-methanol","Acta Crystallographica Section C","1995","51","10","2161","2163","10.1107/S0108270195005002","","","1.54184","CuKα","","","0.0706","","","0.0764","","","","","1.18","1.18","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004281","5.558","0.001","5.7557","0.0008","15.656","0.002","90","","92.61","0.01","90","","500.32","0.13","295","","295","","","","","","","","","4","P 1 c 1","P -2yc","7","","(E)-3-[(Methoxycarbonyl)methylene]-1,6-dimethyl-2,6-diazabicyclo [2.2.0]hexan-5-one","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C18 H24 N4 O6 -","2","1","KH1034","Kakuda, H.; Takahashi, Y.; Hirokami, S.-i.","(<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones","Acta Crystallographica Section C","1995","51","12","2647","2650","10.1107/S0108270195005841","","","0.7107","MoKα","","","0.035","","","0.049","","","","","1.2","1.2","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2006241","8.307","0.002","6.7435","0.0009","10.102","0.002","90","","118.576","0.006","90","","496.96","0.17","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H12 N2 O6 V -","- C6 H10 N2 O6 V -","- C12 H20 N4 O12 V2 -","2","1","OA1014","Kan Kanamori; Kazuhito Ino; Ken-Ichi Okamoto","Aqua(ethylenediamine-<i>N</i>,<i>N</i>'-diacetato-<i>O</i>,<i>O</i>')oxovanadium(IV)","Acta Crystallographica Section C","1997","53","6","672","673","10.1107/S0108270197000231","","","0.7107","MoKα","","","0.0309","","","0.045","","","","","1.417","1.417","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007899","12.204","0.002","14.957","0.002","6.527","0.001","90","","102.41","0.01","90","","1163.6","0.3","296","2","","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C29 H26 O4 -","- C29 H26 O4 -","- C58 H52 O8 -","2","1","CF1195","Yu , Jianhua; Hu, Yulai; Huang, Qibin; Yu, Kaibei; Yang, Shiyan","7-Methoxy-1-[1-(6-methoxy-2-naphthoyl)ethyl]-2-methyl-2,3-dihydro-1<i>H</i>-cyclopenta[<i>a</i>]naphthalen-3-one","Acta Crystallographica Section C","1998","54","12","2009","2011","10.1107/S0108270198009135","","","0.71073","MoKα","","","0.034","","","","0.069","","","","","","0.997","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008595","7.208","0.002","6.291","0.004","14.432","0.005","90","","104.04","0.02","90","","634.9","0.5","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","3-(2'-hydroxyphenylamino)-5,5-dimethyl-2-cyclohexenone","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C28 H34 N2 O4 -","2","1","NA1416","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Margarita Suárez Navarro; Yamila Verdecia Reyes; Estael Ochoa Rodríguez; Esperanza Salfrán Solano","3-(2-Hydroxyphenylamino)-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section C","1999","55","6","1029","1031","10.1107/S0108270199004369","","","1.54184","CuKα","","0.044","0.043","","0.133","","0.133","","","1.139","","","1.139","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008729","26.28","0.004","26.285","0.003","18.449","0.002","90","","102.696","0.01","90","","12432","3","136","2","136","2","","","","","","","","3","P 1 c 1","P -2yc","7","","2,5-Diisopropylidene-3,4-bis-(2-methoxycarbonyl-2-methylpropoxycarbonyl)-hex- 3-enedioic acid bis(2-methoxycarbonyl-2-methylpropyl)ester","","- C38 H56 O16 -","- C38 H56 O16 -","- C456 H672 O192 -","12","6","SK1272","Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K.","Low-temperature phase of bis(2-methoxycarbonyl-2-methylpropyl) 2,5-diisopropylidene-3,4-bis(2-methoxycarbonyl-2-methylpropoxycarbonyl)hex-3-enedioate, a crystal structure with six independent pseudo-related molecules","Acta Crystallographica Section C","1999","55","7","1183","1186","10.1107/S0108270199003078","","","0.71073","MoKα","","0.2369","0.078","","","","0.157","","","","","","1.011","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009086","12.377","0.003","6.974","0.0014","19.822","0.004","90","","102.82","0.03","90","","1668.3","0.7","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","Triaqua-(2,2'-bipyridyl-N,N')-(thiosulfato-S)-nickel(II) dihydrate","","- C10 H18 N2 Ni O8 S2 -","- C10 H18 N2 Ni O8 S2 -","- C40 H72 N8 Ni4 O32 S8 -","4","2","BK1471","Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun","Triaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) dihydrate and triaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) monohydrate","Acta Crystallographica Section C","1999","55","11","1780","1784","10.1107/S010827019900829X","","","0.71073","MoKα","","0.042","0.036","","","","0.099","","","","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009130","8.623","0.002","8.631","0.0008","14.896","0.003","90","","102.848","0.009","90","","1080.9","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","yttrium sodium oxalate tetrahydrate","","","- C4 H8 Na O12 Y -","- C4 H8 Na O12 Y -","- C16 H32 Na4 O48 Y4 -","4","2","GS1049","Bataille, Thierry; Louër, Daniel","Yttrium sodium oxalate tetrahydrate, [Y(H~2~ O)]Na(C~2~O~4~)~2~^.^3H~2~O","Acta Crystallographica Section C","1999","55","11","1760","1762","10.1107/S0108270199009683","","","0.71073","MoKα","","0.115","0.042","","","","0.096","","","","","","1.011","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009617","7.4731","0.0007","10.8843","0.0008","9.0286","0.0006","90","","112.992","0.007","90","","676.04","0.1","293","","293","","","","","","","","","4","P 1 c 1","P -2yc","7","","6-amino-2-methoxy-3-methyl-5-[(E)-1,2-dicarbomethoxyvinyl]pyrimidin-4-(3H)- one","","- C12 H15 N3 O6 -","- C12 H15 N3 O6 -","- C24 H30 N6 O12 -","2","1","HA1082","Low, John N.; Egglishaw, Clare; Ferguson, George; Cobo, Justo; Garcia, Celeste; Melguizo, Manuel; Nogueras, Manuel; Sanchez, Adolfo","6-Amino-5-[(<i>E</i>)-1,2-bis(methoxycarbonyl)vinyl]-2-methoxy-3-methylpyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","1994","50","4","585","587","10.1107/S0108270193011953","","","0.71067","MoKα","","0.037","0.032","","0.047","0.045","","","","","1.25","1.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010395","18.499","0.004","6.2149","0.0009","26.45","0.01","90","","103.16","0.03","90","","2961.1","1.4","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","4","OH1042","Ohishi, H.; Sakamoto, Y.; Harusawa, S.; Yoneda, R.; Kurihara, T.","(13-Methyl-1,4,7,8,13,13b-hexahydro[1',2']oxazepino[2',3':1,2]pyrido[3,4-<i>b</i>]indol-1-yl)methanol and its Unusual Packing Style","Acta Crystallographica Section C","1995","51","1","135","139","10.1107/S0108270194000715","","","1.5418","CuKα","","","0.0615","","","0.0675","","","","","1.232","1.232","","","","","has coordinates","205900","2020-10-21","18:00:00",""
"2010796","37.3863","0.0016","5.0455","0.0002","26.2217","0.001","90","","117.816","0.0013","90","","4374.7","0.3","295","","295","","","","","","","","","3","P 1 c 1","P -2yc","7","","aluminum phosphate","","- Al O4 P -","- Al O4 P -","- Al48 O192 P48 -","48","24","BR1269","Graetsch, Heribert","Two forms of aluminium phosphate tridymite from X-ray powder data","Acta Crystallographica Section C","2000","56","4","401","403","10.1107/S0108270199015164","","","1.54056","CuKα~1~","","","0.0727","","","","","","","1.79","1.79","1.79","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010974","21.093","0.002","4.6905","0.0003","9.2544","0.0009","90","","101.323","0.003","90","","897.78","0.14","150","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","Zinc octanoate","poly[zinc(II)-bis(μ-octanoato-O:O')]","","- C16 H30 O4 Zn -","- C16 H30 O4 Zn -","- C32 H60 O8 Zn2 -","2","1","SK1351","Lacouture, Françoise; Peultier, Jerôme; Francois, Michel; Steinmetz, Jean","Anhydrous polymeric zinc(II) octanoate","Acta Crystallographica Section C","2000","56","5","556","557","10.1107/S0108270100001876","","","0.71073","MoKα","","0.088","0.058","","","","0.167","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011704","8.0595","0.0007","3.8631","0.0002","11.812","0.001","90","","90.16","0.008","90","","367.76","0.05","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","p-Formamidebenzoic acid","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C16 H14 N2 O6 -","2","1","DA1154","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Xuárez Marill, Lisbet","<i>p</i>-Formamidobenzoic acid","Acta Crystallographica Section C","2001","57","1","86","87","10.1107/S0108270100013615","","","1.54184","CuKα","","0.046","0.046","","0.129","","0.129","","","1.134","","","1.134","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011841","7.522","0.002","13.856","0.003","15.544","0.003","90","","94.75","0.03","90","","1614.5","0.6","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Aminoguanidinium(1+)(2+) heksachloroantimonate(III)","","- C2 H15 Cl6 N8 Sb -","- C2 H15 Cl6 N8 Sb -","- C8 H60 Cl24 N32 Sb4 -","4","2","BJ1014","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","Aminoguanidinium(2+) aminoguanidinium(1+) hexachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","2001","57","4","388","391","10.1107/S0108270101000774","","","0.71073","MoKα","","0.0327","0.0244","","","","0.0645","","","","","","1.097","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011842","7.426","0.002","13.836","0.003","15.403","0.003","90","","95.27","0.03","90","","1575.9","0.6","92","0.5","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Aminoguanidinium(1+)(2+) heksachloroantimonate(III)","","- C2 H15 Cl6 N8 Sb -","- C2 H15 Cl6 N8 Sb -","- C8 H60 Cl24 N32 Sb4 -","4","2","BJ1014","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","Aminoguanidinium(2+) aminoguanidinium(1+) hexachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","2001","57","4","388","391","10.1107/S0108270101000774","","","0.71073","MoKα","","0.0212","0.0192","","","","0.0477","","","","","","1.093","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011992","11.6335","0.0001","5.6309","0.0001","14.8578","0.0002","90","","121.091","0.001","90","","833.48","0.02","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Catena-[m-1,2-bis(4-pyridyl)ethane-bis-thiocyanato)Lead(II)]","","- C14 H12 N4 Pb S2 -","- C14 H12 N4 Pb S2 -","- C28 H24 N8 Pb2 S4 -","2","1","SK1453","Niu, Yun-Yin; Hou, Hong-Wei; Zhang, Qian-Feng; Xin, Xin-Quan; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul","<i>catena</i>-Poly[[bis(thiocyanato-<i>N</i>)lead(II)]-μ-1,2-bis(4-pyridyl)ethane-<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2001","57","5","526","527","10.1107/S0108270101002888","","","0.71073","MoKα","","0.0398","0.0375","","","","0.0885","","","","","","0.923","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012170","9.2347","0.0013","9.6814","0.0013","14.588","0.002","90","","95.948","0.002","90","","1297.2","0.3","296","2","296","2","","","","","","","","7","P 1 c 1","P -2yc","7","","(Nitro-κN)[2-(phenyldiazenyl-κN^2^)pyridine-κN] (2,2',6',2''-terpyridine-κ^3^N)ruthenium(II) tetrafluoroborate","","- C26 H20 B F4 N7 O2 Ru -","- C26 H20 B F4 N7 O2 Ru -","- C52 H40 B2 F8 N14 O4 Ru2 -","2","1","VJ1141","Hansongnern, Kanidtha; Saeteaw, Uraiwan; Cheng, Jack; Liao, Fen-Ling; Lu, Tian-Huey","(Nitro-κ<i>N</i>)[2-(phenyldiazenyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>](2,2':6',2''-terpyridine-κ^3^<i>N</i>)ruthenium(II) tetrafluoroborate","Acta Crystallographica Section C","2001","57","8","895","896","10.1107/S0108270101007715","","","0.71073","MoKα","","0.029","0.027","","","","0.068","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012869","10.078","0.001","8.882","0.001","8.512","0.001","90","","109.89","0.01","90","","716.48","0.14","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-methyl-8-oxa-16-thia-3,17-diazabicyclo[12.2.1]heptadeca-(Z,E)- 1(17),10,12,14-tetraene-4,9-dione","","- C14 H16 N2 O3 S -","- C14 H16 N2 O3 S -","- C28 H32 N4 O6 S2 -","2","1","FR1371","Breydo, Leonid; Barnes, Charles L.; Gates, Kent S.","Two (<i>E</i>,<i>E</i>)- and (<i>Z</i>,<i>E</i>)-thiazol-5-ylpenta-2,4-dienones","Acta Crystallographica Section C","2002","58","8","o447","o449","10.1107/S0108270102007503","","","0.71073","MoKα","","0.035","0.03","","","0.068","0.07","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013526","5.053","0.0002","5.199","0.0004","15.984","0.0008","90","","90.297","0.003","90","","419.9","0.04","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","caesium lithium rubidium sulfate","","- Cs0.9 Li2.88 O8 Rb0.22 S2 -","- Cs0.9 Li2.88 O8 Rb0.22 S2 -","- Cs1.8 Li5.76 O16 Rb0.44 S4 -","2","1","TA1399","Lima, Ricardo J. C.; Sasaki, Jose M.; Ayala, Alejandro P.; Freire, Paulo T. C.; Mendes-Filho, Josue; Melo, Francisco E. A.; Ellena, Javier; Santos-Jr, Sauli","New crystals in the lithium sulfate family","Acta Crystallographica Section C","2003","59","7","i67","i70","10.1107/S0108270103004785","","","0.71073","MoKα","","0.0264","0.025","","","0.0673","0.0825","","","","","","1.216","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013580","9.36","0.002","9.109","0.002","21.242","0.004","90","","98.78","0.03","90","","1789.9","0.7","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H16 N2 O4 S -","- C19 H16 N2 O4 S -","- C76 H64 N8 O16 S4 -","4","2","FG1703","Itzia I. Padilla-Martínez; Efrén V. García-Báez; Herbert Höpfl; Francisco J. I. Martínez-Martínez","2-Amino-1,3-benzothiazole‒ethyl coumarin-3-carboxylate (1/1)","Acta Crystallographica Section C","2003","59","10","o544","o546","10.1107/S0108270103017207","","","0.71073","MoKα","","0.0763","0.0497","","","0.1174","0.1311","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013804","3.707","0.0002","6.3963","0.0003","15.4047","0.001","90","","95.064","0.002","90","","363.84","0.04","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-Nitrobenzaldehyde hydrazone","","- C7 H7 N3 O2 -","- C7 H7 N3 O2 -","- C14 H14 N6 O4 -","2","1","GG1201","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in nitroaniline analogues: 4-nitrobenzaldehyde hydrazone forms hydrogen-bonded sheets of <i>R</i>_<b>4</b>^<b>4</b>(26) rings","Acta Crystallographica Section C","2004","60","1","o33","o34","10.1107/S010827010302657X","","","0.71073","MoKα","","0.0473","0.0402","","","0.0964","0.1018","","","","","","1.165","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014474","5.7563","0.0011","5.1871","0.0007","16.3206","0.0019","90","","92.186","0.013","90","","486.95","0.13","298","","298","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C8 H9 N O6 -","- C8 H9 N O6 -","- C16 H18 N2 O12 -","2","1","","Fukunaga, Takeo; Kashino, Setsuo; Ishida, Hiroyuki","2-Pyridone‒tartronic acid (1/1), 3-hydroxypyridinium hydrogen tartronate and 4-hydroxypyridinium hydrogen tartronate","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o717","o722","10.1107/s0108270104019201","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014705","18.7505","0.001","4.6414","0.001","11.3866","0.001","90","","98.394","0.01","90","","980.3","0.2","293","2","","","","","","","","","","3","P 1 c 1","P -2yc","7","","Bis[4-(3-pyridylmethyleneamino)phenyl]methane","","- C25 H20 N4 -","- C25 H20 N4 -","- C50 H40 N8 -","2","1","HJ1037","Wang, Qing; Pi, Xiang-Dong; Su, Cheng-Yong","Bis[4-(3-pyridylmethyleneamino)phenyl]methane","Acta Crystallographica Section C","2005","61","2","o73","o74","10.1107/S010827010403272X","","","0.71073","MoKα","","","0.0351","","","","0.0706","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015057","5.958","0.004","12.854","0.004","7.06","0.011","90","","100.26","0.07","90","","532","0.9","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-(2-Pyridyl)pyridinium perchlorate","","- C10 H9 Cl N2 O4 -","- C10 H9 Cl N2 O4 -","- C20 H18 Cl2 N4 O8 -","2","1","SK1853","Kavitha, S. Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","2-(2-Pyridyl)pyridinium perchlorate, redetermined at 120K: complex hydrogen-bonded sheets","Acta Crystallographica Section C","2005","61","8","o473","o474","10.1107/S0108270105018810","","","0.71073","MoKα","","0.0536","0.0436","","","0.1079","0.1152","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015110","8.6165","0.0002","7.4725","0.0001","9.2811","0.0003","90","","92.746","0.002","90","","596.89","0.03","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","dipotassium tetrachromate(VI)","dipotassium tetrachromium(VI) tridecaoxide","","- Cr4 K2 O13 -","- Cr4 K2 O13 -","- Cr8 K4 O26 -","2","1","BC1081","Barbara M. Casari; Vratislav Langer","Dipotassium tetrachromate(VI), K~2~Cr~4~O~13~","Acta Crystallographica Section C","2005","61","12","i117","i119","10.1107/S0108270105035833","","","0.71073","MoKα","","0.0707","0.0478","","","0.0929","0.1052","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015842","12.6852","0.0019","4.5157","0.0004","12.1383","0.0018","90","","113.915","0.011","90","","635.62","0.16","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","(E)-2-[(3-bromophenyl)iminomethyl]-4-methoxyphenol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C28 H24 Br2 N2 O4 -","2","1","DN3025","Özek, Arzu; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Three (<i>E</i>)-2-[(bromophenyl)iminomethyl]-4-methoxyphenols","Acta Crystallographica Section C","2007","63","3","o177","o180","10.1107/S0108270107003241","","","0.71073","MoKα","","0.0669","0.0509","","","0.0974","0.1008","","","","","","1.371","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015843","14.0683","0.0012","6.9497","0.0007","6.5553","0.0006","90","","98.264","0.007","90","","634.26","0.1","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","(E)-2-[(4-bromophenyl)iminomethyl]-4-methoxyphenol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C28 H24 Br2 N2 O4 -","2","1","DN3025","Özek, Arzu; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Three (<i>E</i>)-2-[(bromophenyl)iminomethyl]-4-methoxyphenols","Acta Crystallographica Section C","2007","63","3","o177","o180","10.1107/S0108270107003241","","","0.71073","MoKα","","0.0473","0.0342","","","0.0701","0.0747","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016143","11.499","0.002","4.0006","0.0007","14.717","0.003","90","","90.9","0.003","90","","676.9","0.2","174","2","174","2","","","","","","","","5","P 1 c 1","P -2yc","7","","1-(4-Chlorobenzylidene)-2-(4-iodobenzylidene)diazane","","- C14 H10 Cl I N2 -","- C14 H10 Cl I N2 -","- C28 H20 Cl2 I2 N4 -","2","1","GA3056","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Cramer, Christopher J.","Three polymorphs of 4-4'-diiodobenzalazine, and 4-chloro-4'-iodobenzalazine","Acta Crystallographica Section C","2007","63","9","o518","o523","10.1107/S0108270107034786","","","0.71073","MoKα","","0.063","0.038","","","0.066","0.072","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016175","16.3631","0.0018","5.6428","0.0005","9.1251","0.0008","90","","101.418","0.01","90","","825.88","0.14","100","1","100","1","","","","","","","","4","P 1 c 1","P -2yc","7","N,N'-Bis(2-hydroxybenzylidene)pentane-1,5-diamine","2,2'-[pentane-1,5-diylbis(nitrilomethylidyne)]diphenol","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","SQ3092","Pospieszna-Markiewicz, Izabela; Kozłowski, Michał; Radecka-Paryzek, Wanda; Kubicki, Maciej","<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzylidene)pentane-1,5-diamine","Acta Crystallographica Section C","2007","63","9","o559","o561","10.1107/S0108270107037900","","","0.71073","MoKα","","0.0753","0.0626","","","0.1067","0.1132","","","","","","1.146","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016466","3.8276","0.0005","7.1042","0.0009","23.238","0.003","90","","91.151","0.002","90","","631.76","0.14","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-(4-Chlorobenzylidenehydrazono)benzonitrile","","- C15 H10 Cl N3 -","- C15 H10 Cl N3 -","- C30 H20 Cl2 N6 -","2","1","TR3028","Ojala, Charles R.; Ojala, William H.; Britton, Doyle","4-(4-Chlorobenzylidenehydrazonomethyl)benzonitrile and the bromo and iodo analogs","Acta Crystallographica Section C","2008","64","2","o37","o40","10.1107/S0108270107065171","","","0.71073","MoKα","","0.082","0.066","","","0.153","0.162","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017133","9.9861","0.0005","6.1438","0.0003","11.6027","0.0005","90","","114.858","0.0016","90","","645.9","0.05","100","1","","","","","","","","","","5","P 1 c 1","P -2yc","7","3-carbamoylpyridinium hydrogen chloranilate","3-carbamoylpyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dienolate","","- C12 H8 Cl2 N2 O5 -","- C12 H8 Cl2 N2 O5 -","- C24 H16 Cl4 N4 O10 -","2","1","GD3286","Gotoh, Kazuma; Nagoshi, Hirokazu; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric 2-, 3- and 4-carbamoylpyridinium hydrogen chloranilates","Acta Crystallographica Section C","2009","65","6","o273","o277","10.1107/S010827010901525X","","","0.71075","MoKα","","0.0382","0.0328","","","0.1119","0.1492","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017386","5.8366","0.0001","15.3018","0.0004","8.1078","0.0002","90","","91.444","0.001","90","","723.88","0.03","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-[(2-hydroxyethyl)(methyl)amino]-1,2-diphenylethanol","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0307","0.0296","","","0.0759","0.0765","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017400","6.2918","0.001","9.7229","0.0015","15.146","0.002","90","","93.437","0.002","90","","924.9","0.2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","iodoferrocene","1-Iodoferrocene","","- C10 H9 Fe I -","- C10 H9 Fe I -","- C40 H36 Fe4 I4 -","4","2","SF3110","Romanov, Alexander S.; Mulroy, Joseph M.; Khrustalev, Victor N.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Monohalogenated ferrocenes C~5~H~5~FeC~5~H~4~<i>X</i> (<i>X</i> = Cl, Br and I) and a second polymorph of C~5~H~5~FeC~5~H~4~I","Acta Crystallographica Section C","2009","65","11","m426","m430","10.1107/S0108270109034763","","","0.71073","MoKα","","0.0183","0.0178","","","0.0406","0.0408","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017646","13.8005","0.0005","10.0348","0.0003","13.4973","0.0004","90","","117.008","0.001","90","","1665.33","0.09","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","dichloridotriphenylantimony","","- C18 H15 Cl2 Sb -","- C18 H15 Cl2 Sb -","- C72 H60 Cl8 Sb4 -","4","2","FG3167","MacDonald, Daniel J.; Jennings, Michael C.; Preuss, Kathryn E.","A new polymorph of dichloridotriphenylantimony","Acta Crystallographica Section C","2010","66","5","m137","m140","10.1107/S010827011001437X","","","0.71073","MoKα","","0.0165","0.0156","","","0.0362","0.0365","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017804","15.1215","0.0004","13.2206","0.0003","11.9113","0.0003","90","","107.527","0.003","90","","2270.7","0.1","130","2","130","2","","","","","","","","7","P 1 c 1","P -2yc","7","","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)silver(I) trifluoromethanesulfonate","","- C21 H18 Ag F3 N6 O3 S -","- C21 H18 Ag F3 N6 O3 S -","- C84 H72 Ag4 F12 N24 O12 S4 -","4","2","FA3242","Żyto, Magdalena; Wicher, Barbara; Gdaniec, Maria","Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)silver(I) trifluoromethanesulfonate: polar arrangement of trifluoromethanesulfonate anions in a pseudo-centrosymmetric framework of coordination cations","Acta Crystallographica Section C","2010","66","11","m355","m357","10.1107/S0108270110044070","","","0.71073","MoKα","","0.0358","0.0248","","","0.0488","0.0543","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018456","12.347","0.003","4.6558","0.0012","11.607","0.003","90","","105.856","0.008","90","","641.8","0.3","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","6-bromo-2-(3-oxo-2,3-dihydro-1<i>H</i>-indol-2-ylidene)-2,3-dihydro-1<i>H</i>- indol-3-one","","- C16 H9 Br N2 O2 -","- C16 H9 Br N2 O2 -","- C32 H18 Br2 N4 O4 -","2","1","GG3263","Szalda, David J.; Ramig, Keith; Lavinda, Olga; Koren, Zvi C.; Massa, Lou","6-Bromoindigo dye","Acta Crystallographica Section C","2012","68","4","o160","o163","10.1107/S0108270112006440","","","0.71073","MoKα","","0.0937","0.059","","","0.1265","0.1414","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018627","3.7413","0.0007","7.8684","0.0009","15.4092","0.0013","90","","91.54","0.03","90","","453.45","0.11","153","2","153","2","","","","","","","","3","P 1 c 1","P -2yc","7","","5-[4-(1,2,4-Triazol-4-yl)phenyl]-1<i>H</i>-tetrazole","","- C9 H7 N7 -","- C9 H7 N7 -","- C18 H14 N14 -","2","1","FG3264","Lysenko, Andrey B.","The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1<i>H</i>-tetrazole and its role in the construction of a Cd^II^ metal‒organic chain structure","Acta Crystallographica Section C","2012","68","10","m291","m294","10.1107/S0108270112038498","","","0.71073","MoKα","","0.0795","0.0487","","","0.0931","0.1042","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2019632","10.8536","0.0004","10.8103","0.0004","11.3901","0.0004","90","","92.717","0.002","90","","1334.91","0.08","200","2","200","2","","","","","","","","5","P 1 c 1","P -2yc","7","Flunarizinium nicotinate","4-Bis[(4-fluorophenyl)methyl]-1-[(2<i>E</i>)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-3-carboxylate","","- C32 H31 F2 N3 O2 -","- C32 H31 F2 N3 O2 -","- C64 H62 F4 N6 O4 -","2","1","SK3553","Kavitha, Channappa N.; Yathirajan, Hemmige S.; Kaur, Manpreet; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Three-dimensional hydrogen-bonded framework structures in flunarizinium nicotinate and flunarizinediium bis(4-toluenesulfonate) dihydrate","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016532","","","0.71073","MoKα","","0.0329","0.0304","","","0.0785","0.0807","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019951","8.0357","0.0003","5.5554","0.0002","12.8733","0.0005","90","","101.312","0.001","90","","563.52","0.04","100","","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","(<i>E</i>)-2-Hydroxy-4'-methoxyazastilbene","(<i>E</i>)-2-[(4-Methoxybenzylidene)amino]phenol","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","SU5124","Chantrapromma, Suchada; Kaewmanee, Narissara; Boonnak, Nawong; Chantrapromma, Kan; Ghabbour, Hazem A.; Fun, Hoong-Kun","Crystal structure of (E)-2-hydroxy-4′-methoxyazastilbene","Acta Crystallographica Section E Crystallographic Communications","2015","71","6","571","","10.1107/S2056989015008348","","","0.71073","MoKα","","0.0369","0.0366","","","0.0993","0.0996","","","","","","1.09","","","","has coordinates,has Fobs","136425","2020-10-21","18:00:00",""
"2020256","6.6616","0.0012","4.8577","0.001","19.099","0.004","90","","99.821","0.006","90","","609","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","1-Benzyl-5-fluoroindoline-2,3-dione","","- C15 H10 F N O2 -","- C15 H10 F N O2 -","- C30 H20 F2 N2 O4 -","2","1","EG3190","Sharmila, N.; Sundar, T. V.; Satish, G.; Ilangovan, A.; Venkatesan, P.","Two new isatin derivatives: 1-benzyl-4,5,6-trimethoxyindoline-2,3-dione and 1-benzyl-5-fluoroindoline-2,3-dione","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018422","","","0.71073","MoKα","","0.0877","0.0547","","","0.0734","0.08","","","","","","1.162","","","","has coordinates,has Fobs","169160","2020-10-21","18:00:00",""
"2020509","13.966","0.005","12.991","0.004","11.225","0.004","90","","100.931","0.016","90","","1999.6","1.2","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C88 H92 N12 O16 -","4","2","ZB5050","Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R.","New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation","Acta Crystallographica Section B","2016","72","3","291","300","10.1107/S2052520616003607","","","0.71073","MoKα","","0.1001","0.0898","","","0.2193","0.2349","","","","","","1.064","","","","has coordinates,has Fobs","183629","2020-10-21","18:00:00",""
"2020828","4.3677","0.0006","14.0232","0.0012","15.1816","0.0018","90","","96.153","0.016","90","","924.5","0.19","153","2","153","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>^2^,<i>N</i>^3^-Bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide","","- C18 H20 N6 O4 -","- C18 H20 N6 O4 -","- C36 H40 N12 O8 -","2","1","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer","Acta Crystallographica Section E Crystallographic Communications","2017","73","6","798","","10.1107/S2056989017006387","","","0.71073","MoKα","","0.1135","0.0506","","","0.1076","0.1224","","","","","","0.767","","","","has coordinates,has Fobs","199112","2020-10-21","18:00:00",""
"2021316","11.1643","0.0011","3.8275","0.0004","17.2764","0.0016","90","","98.662","0.003","90","","729.82","0.12","130","","130","","","","","","","","","5","P 1 c 1","P -2yc","7","4-bromo-2-nitroaniline","4-Bromo-2-nitroaniline","","- C6 H5 Br N2 O2 -","- C6 H5 Br N2 O2 -","- C24 H20 Br4 N8 O8 -","4","2","YP3165","Marek, Paulina H.; Urban, Mateusz; Madura, Izabela D.","The study of interactions with a halogen atom: influence of NH~2~ group insertion on the crystal structures of <i>meta</i>-bromonitrobenzene derivatives","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013608","","","0.71073","MoKα","","0.062","0.041","","","0.0738","0.08","","","","","","1.02","","","","has coordinates,has Fobs","211630","2020-10-21","18:00:00",""
"2021642","6.1699","0.0003","12.5258","0.0007","10.657","0.0005","90","","103.023","0.005","90","","802.42","0.07","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1,2-Bis(1-azoniabicyclo[2.2.2]oct-3-ylidene)hydrazine dichloride","","- C14 H24 Cl2 N4 -","- C14 H24 Cl2 N4 -","- C28 H48 Cl4 N8 -","2","1","QS3081","Qiao, Liang; Chen, Xiao-Gang; Gao, Ji-Xing; Ai, Yong","Three new quinuclidine-based structures: second harmonic generation response for 1,2-bis(1-azoniabicyclo[2.2.2]octan-3-ylidene)hydrazine dichloride","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005898","","","0.71073","MoKα","","0.0431","0.0378","","","0.0925","0.0967","","","","","","0.997","","","","has coordinates,has Fobs","215392","2020-10-21","18:00:00",""
"2021687","9.3157","0.0006","8.4063","0.0003","17.4678","0.001","90","","93.222","0.005","90","","1365.75","0.13","153","2","153","","","","","","","","","6","P 1 c 1","P -2yc","7","","<i>cis</i>-[2,2-Bis(3,5-dimethylpyrazolyl)-1,1-diphenylethanolato]chloridodioxidotungsten(VI) tetrahydrofuran monosolvate","","- C28 H33 Cl N4 O4 W -","- C28 H33 Cl N4 O4 W -","- C56 H66 Cl2 N8 O8 W2 -","2","1","FN3307","Böhme, Uwe; Schwarzer, Anke; Günther, Betty","The heteroscorpionate ligand 2,2-bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol and an easy preparation of its tungsten complex","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008362","","","0.71073","MoKα","","0.0273","0.0238","","","0.0519","0.0545","","","","","","1.083","","","","has coordinates","216559","2020-10-21","18:00:00",""
"2021937","16.908","0.0011","8.432","0.0006","34.872","0.003","90","","102.782","0.002","90","","4848.4","0.6","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Poly[[tris{μ-1,3-bis[(imidazol-1-yl)methyl]benzene}bis[μ~3~-4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoato]trizinc(II)] dimethylformamide disolvate trihydrate]","","- C96 H86 N20 O17 Zn3 -","- C96 H84 N20 O17 Zn3 -","- C192 H168 N40 O34 Zn6 -","2","1","QF3030","Wang, Saier; Bi, Rong; Liu, Jiadi; Shi, Ying; Wang, Kuaibing; Mao, Feifei; Wu, Hua","A self-penetrated three-dimensional zinc(II) coordination framework based on 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoic acid and 1,3-bis[(imidazol-1-yl)methyl]benzene ligands: synthesis, structure and properties","Acta Crystallographica Section C","2020","76","1","10","16","10.1107/S2053229619015547","","","0.71073","MoKα","","0.0635","0.058","","","0.1575","0.1616","","","","","","1.083","","","","has coordinates","246408","2020-10-21","18:00:00",""
"2022287","4.5639","0.0005","15.375","0.003","19.355","0.002","90","","91.404","0.009","90","","1357.7","0.3","125","","125","","","","","","","","","6","P 1 c 1","P -2yc","7","1-Benzoyl-3-<i>m</i>-iodophenylthiourea","1-Benzoyl-3-(3-iodophenyl)thiourea","","- C14 H11 I N2 O S -","- C14 H11 I N2 O S -","- C56 H44 I4 N8 O4 S4 -","4","2","WP3011","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas","Acta Crystallographica Section C","2021","77","1","11","19","10.1107/S2053229620015594","","x-ray","0.71073","MoKα","","0.0583","0.0536","","","0.1381","0.1476","","","","","","1.07","","","","has coordinates,has Fobs","261799","2021-02-05","14:53:26",""
"2022290","4.6404","0.0007","15.017","0.002","19.074","0.003","90","","91.052","0.012","90","","1328.9","0.3","125","","125","","","","","","","","","6","P 1 c 1","P -2yc","7","1-Benzoyl-3-<i>m</i>-bromophenylthiourea","1-Benzoyl-3-(3-bromophenyl)thiourea","","- C14 H11 Br N2 O S -","- C14 H11 Br N2 O S -","- C56 H44 Br4 N8 O4 S4 -","4","2","WP3011","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas","Acta Crystallographica Section C","2021","77","1","11","19","10.1107/S2053229620015594","","x-ray","0.71073","MoKα","","0.0761","0.0656","","","0.1674","0.1832","","","","","","1.021","","","","has coordinates,has Fobs","261799","2021-02-05","14:53:26",""
"2022621","4.9916","0.0005","10.8497","0.0012","10.0075","0.001","90","","98.411","0.003","90","","536.15","0.1","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","<i>N</i>-(Thiophen-2-ylmethyl)thiophene-2-carboxamide","","- C10 H9 N O S2 -","- C10 H9 N O S2 -","- C20 H18 N2 O2 S4 -","2","1","EF3029","Çakmak, Şükriye; Demircioğlu, Zeynep; Uzun, Serap; Veyisoğlu, Aysel; Yakan, Hasan; Ersanli, Cem Cüneyt","Synthesis, X-ray structure, antimicrobial activity, DFT and molecular docking studies of <i>N</i>-(thiophen-2-ylmethyl)thiophene-2-carboxamide","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006283","","","0.71073","MoKα","","0.0545","0.0468","","","0.1137","0.1192","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","276217","2022-06-24","02:10:05",""
"2100583","10.0528","0.0003","4.8703","0.001","13.5719","0.0003","90","","109.945","0.0017","90","","624.63","0.13","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","N-(2-iodophenyl)-4-nitrobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C26 H18 I2 N4 O6 -","2","1","BM5035","Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher","Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures","Acta Crystallographica, Section B","2006","62","2","931","943","10.1107/S0108768106029053","","","0.71073","MoKα","","0.0209","0.019","","","0.047","0.0479","","","","","","1.211","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100745","11.3","0.01","6.34","0.01","12.23","0.01","90","","102.4","0.1","90","","855.7","1.7","","","","","","","","","","","","4","P 1 c 1","P -2yc","","","","","- C4 H8 N6 O5 -","- C4 H8 N6 O5 -","- C16 H32 N24 O20 -","4","2","LI0078","Pickering, M.; Rylance, J.; Small, R. W. H.; Stubley, D.","The ordered and disordered phases of three unsymmetrical cyclic nitramines: (I), 1,3-dinitro-1,3-diazacyclohexane; (II), 1,3-dinitro-1,3-diazacycloheptane; (III), 1,5-dinitro-3-nitroso-1,3,5-triazacycloheptane","Acta Crystallographica Section B","1991","47","5","782","789","10.1107/S0108768191006420","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101450","12.477","0.003","12.646","0.004","13.4267","0.0011","90","","102.747","0.012","90","","2066.3","0.8","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H26 Cl N O6 -","- C20 H26 Cl N O6 -","- C80 H104 Cl4 N4 O24 -","4","2","KA0027","Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L.","Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns","Acta Crystallographica Section B","1996","52","1","194","200","10.1107/S0108768195008135","","","1.5418","CuKα","","0.1782","0.0652","","0.2713","0.1745","","","","1.018","1.126","1.126","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101489","9.47","0.003","9.034","0.003","14.08","0.004","90","","95.81","0.03","90","","1198.4","0.6","200","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H24 Cl9 N3 Sb2 -","- C8 H32 Cl9 N4 Sb2 -","- C16 H64 Cl18 N8 Sb4 -","2","1","HR0024","Zaleski, J.; Pietraszko, A.","Structure at 200 and 298 K and X-ray investigations of the phase transition at 242 K of [NH~2~(CH~3~)~2~]~3~Sb~2~Cl~9~ (DMACA)","Acta Crystallographica Section B","1996","52","2","287","295","10.1107/S0108768195010615","","","0.71073","MoKα","","","0.0241","","","0.0252","","","","","0.95","0.95","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102228","9.149","0.0002","12.8557","0.0004","12.4022","0.0004","90","","113.854","0.0019","90","","1334.1","0.07","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","Cyclam/3-hydroxybenzoic acid/water (1/2/2)","","- C24 H40 N4 O8 -","- C24 H40 N4 O8 -","- C48 H80 N8 O16 -","2","1","NA5008","Zakaria, Choudhury M.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Adducts of 1,4,8,11-tetraazacyclotetradecane with carboxylic acids: hydrogen-bonded supramolecular structures in two or three dimensions","Acta Crystallographica Section B","2004","60","1","65","75","10.1107/S0108768103026739","","","0.71073","MoKα","","0.0459","0.0373","","","0.0981","0.1054","","","","","","0.964","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103059","5.9666","0.0003","24.2205","0.0015","13.0262","0.0007","90","","91.72","0.003","90","","1881.62","0.18","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","N-(4-fluorophenyl)pyrazinecarboxamide, Pc polymorph","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C88 H64 F8 N24 O8 -","8","4","BM5049","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Ferreira, Marcelle de L.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Patterns of hydrogen bonding in mono- and di-substituted <i>N</i>-arylpyrazinecarboxamides","Acta Crystallographica Section B","2008","64","1","84","100","10.1107/S0108768107051804","","","0.71073","MoKα","","0.0675","0.0453","","","0.0961","0.1106","","","","","","1.052","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103636","7.305","0.004","11.495","0.005","7.24","0.003","90","","109.71","0.05","90","","572.3","0.5","20","0.1","20","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","NMBA","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","1","AN0580","Cole, Jacqueline M.; Howard, Judith A. K.; McIntyre, Garry J.","Influence of hydrogen bonding on the second harmonic generation effect: neutron diffraction study of 4-nitro-4'-methylbenzylidene aniline","Acta Crystallographica Section B","2001","57","3","410","414","10.1107/S0108768101002154","","neutron","1.2617","neutrons","","0.0326","0.0306","","0.047","0.0469","","","","1.96","1.995","1.995","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104008","10.0605","0.0004","3.7108","0.0003","11.9633","0.0006","90","","100.927","0.004","90","","438.52","0.05","95","1","95","1","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- O13 V6 -","- O13 V6 -","- O26 V12 -","2","1","BM5002","Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O.","Low-temperature structure of V~6~O~13~","Acta Crystallographica Section B","2003","59","6","747","752","10.1107/S0108768103023437","","","0.71073","MoKα","","0.0335","0.0335","","0.0581","","0.0581","","","2.6","","","2.6","","","","has coordinates,has Fobs","190342","2020-10-21","18:00:00",""
"2104009","10.0543","0.0001","3.708","0.0001","11.9554","0.0001","90","","100.914","0.001","90","","437.652","0.013","95","2","95","2","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- O13 V6 -","- O13 V6 -","- O26 V12 -","2","1","BM5002","Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O.","Low-temperature structure of V~6~O~13~","Acta Crystallographica Section B","2003","59","6","747","752","10.1107/S0108768103023437","","","0.71073","MoKα","","0.0779","0.0779","","","0.0826","0.0826","","","","0.58","0.58","0.58","","","","has coordinates,has Fobs","190342","2020-10-21","18:00:00",""
"2104222","12.0244","0.0002","6.362","0.00012","8.10998","0.00018","90","","107.733","0.0018","90","","590.93","0.02","2","","","","","","","","","","","3","P 1 c 1","P -2yc","7","cyclohexanol","perdeutero cyclohexanol","","- C6 D12 O -","- C6 D12 O -","- C24 D48 O4 -","4","2","WS5067","Ibberson, Richard M.; Parsons, Simon; Allan, David R.; Bell, Anthony M. T.","Polymorphism in cyclohexanol","Acta Crystallographica Section B","2008","64","5","573","582","10.1107/S0108768108025093","","neutron","","neutron","","","","","","","","","","2.29","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105388","8.671","","6.386","","12.243","","90","","95.37","","90","","674.956","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","K Au Cl4","","- Au Cl4 K -","- Au Cl4 K -","- Au4 Cl16 K4 -","4","2","","Bonamico, M.; Dessy, G.","The crystal structure of anhydrous potassium tetrachloroaurate(III)","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1735","1736","10.1107/S0567740873005406","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106178","6.87","","5.08","","9.1","","90","","111.2","","90","","296.093","","","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","Zn ((N2 H3) (C O2))2","","- C2 H6 N4 O4 Zn -","- C2 H6 N4 O4 Zn -","- C4 H12 N8 O8 Zn2 -","2","1","","Bigoli, F.; Braibanti, A.; Tiripicchio, A.; Tiripicchio Camellini, M.","Structures of Chelates of Hydrazinecaboxylic Acid. Bis(hydrazinecarboxylato-N,O)-zinc","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2453","2457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106255","5.18","","9.886","","10.625","","90","","116.9","","90","","485.228","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","(Mg (H2 O)6) H3 I O6","","- H15 I Mg O12 -","- I Mg O12 -","- I2 Mg2 O24 -","2","1","","Bigoli, F.; Manotti Lanfredi, A.M.; Tiripicchio Camellini, M.; Tiripicchio, A.","Crystal and molecular structure of hexaquomagnesium trihydrogenhexaoxoiodate(VII)","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1075","1079","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106655","17.4","","11.9","","9.812","","90","","101","","90","","1994.34","","","","","","","","","","","","","6","P 1 c 1","P -2yc","7","","Co (S C (N H2)2)4 (N O3)2 (H2 O)0.5","","- C4 H17 Co N10 O6.5 S4 -","- C4 H16 Co N10 O6.5 S4 -","- C16 H64 Co4 N40 O26 S16 -","4","2","","Baggio, R.F.; Manzanares, C.; Baggio, S.","Tetrakis(thiourea)cobalt(II) nitrate hemihydrate = a monoclinic form","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2359","2361","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106856","5.689","","8.586","","10.565","","90","","106.3","","90","","495.313","","","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","Ca Na2 (P2 O7) (H2 O)4","","- Ca H8 Na2 O11 P2 -","- Ca H8 Na2 O11 P2 -","- Ca2 H16 Na4 O22 P4 -","2","1","","Cheng, P.T.; Pritzker, K.P.H.","Alpha-calcium disodium pyrophosphate tetrahydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","921","924","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2107199","4.629","","10.047","","9.662","","90","","116.51","","90","","402.109","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","K I3 (H2 O)","","- H2 I3 K O -","- H2 I3 K O -","- H4 I6 K2 O2 -","2","1","","Thomas, R.; Moore, F.H.","Neutron Diffraction Studies of Polyiodides. I. Potassium Triiodide Monohydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2869","2873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108535","8.627","0.002","15.358","0.002","23.033","0.003","90","","94.45","0.02","90","","3042.5","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H54 O Ti Zr -","- C33 H54 O Ti Zr -","- C132 H216 O4 Ti4 Zr4 -","4","2","","Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine","Non-merohedral twinning: from minerals to proteins","Acta Crystallographica Section D Structural Biology","2019","75","12","","","10.1107/S2059798319010179","","","0.71073","MoKα","","0.0588","0.0481","","","0.0959","0.1019","","","","","","1.056","","","","has coordinates,has Fobs","231076","2020-10-21","18:00:00",""
"2108536","8.627","0.002","15.358","0.002","23.033","0.003","90","","94.45","0.02","90","","3042.5","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H54 O Ti Zr -","- C33 H54 O Ti Zr -","- C132 H216 O4 Ti4 Zr4 -","4","2","","Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine","Non-merohedral twinning: from minerals to proteins","Acta Crystallographica Section D Structural Biology","2019","75","12","","","10.1107/S2059798319010179","","","0.71073","MoKα","","0.0718","0.0581","","","0.1155","0.126","","","","","","1.071","","","","has coordinates,has Fobs","231076","2020-10-21","18:00:00",""
"2108537","8.627","0.002","15.358","0.002","23.033","0.003","90","","94.45","0.02","90","","3042.5","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H54 O Ti Zr -","- C33 H54 O Ti Zr -","- C132 H216 O4 Ti4 Zr4 -","4","2","","Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine","Non-merohedral twinning: from minerals to proteins","Acta Crystallographica Section D Structural Biology","2019","75","12","","","10.1107/S2059798319010179","","","0.71073","MoKα","","0.0738","0.0588","","","0.1137","0.1246","","","","","","1.07","","","","has coordinates,has Fobs","231076","2020-10-21","18:00:00",""
"2108538","8.627","0.002","15.358","0.002","23.033","0.003","90","","94.45","0.02","90","","3042.5","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H54 O Ti Zr -","- C33 H54 O Ti Zr -","- C132 H216 O4 Ti4 Zr4 -","4","2","","Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine","Non-merohedral twinning: from minerals to proteins","Acta Crystallographica Section D Structural Biology","2019","75","12","","","10.1107/S2059798319010179","","","0.71073","MoKα","","0.0814","0.0624","","","0.1186","0.1314","","","","","","1.081","","","","has coordinates,has Fobs","231076","2020-10-21","18:00:00",""
"2108635","17.468","0.003","6.2025","0.001","16.338","0.003","90","","92.208","0.009","90","","1768.8","0.5","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C88 H68 F16 N4 O4 -","4","2","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.104","0.087","","","","0.235","","","","","","1.044","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2109003","7.1818","0.0007","3.6295","0.0004","10.6533","0.0011","90","","106.377","0.001","90","","266.43","0.05","10","","10","","","","","","","","","4","P 1 c 1","P -2yc","7","Pyrazinamide","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C10 H10 N6 O2 -","2","1","","Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard","Dynamics and disorder: on the stability of pyrazinamide polymorphs","Acta Crystallographica Section B","2022","78","3 Part 1","416","424","10.1107/S2052520622004577","","x-ray","0.71073","MoKα","","0.04","0.037","","","0.0419","0.0423","","","","2.04","2.04","1.98","","","","has coordinates","275937","2022-06-09","01:57:06",""
"2109004","7.173","0.0017","3.65","0.0013","10.686","0.002","90","","106.487","0.017","90","","268.27","0.13","122","","122","","","","","","","","","4","P 1 c 1","P -2yc","7","Pyrazinamide","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C10 H10 N6 O2 -","2","1","","Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard","Dynamics and disorder: on the stability of pyrazinamide polymorphs","Acta Crystallographica Section B","2022","78","3 Part 1","416","424","10.1107/S2052520622004577","","x-ray","0.71073","MoKα","","0.0942","0.0474","","","0.0524","0.0545","","","","2.24","2.24","1.81","","","","has coordinates","275937","2022-06-09","01:57:07",""
"2200300","9.3876","0.001","10.2213","0.0011","19.64","0.002","90","","103.161","0.002","90","","1835","0.3","293","2","","","","","","","","","","6","P 1 c 1","P -2yc","7","","Poly[[silver(I)-di-μ-1,5-bis(phenylthio)pentane] hexafluorophosphate]","","- C34 H40 Ag F6 P S4 -","- C34 H40 Ag F6 P S4 -","- C68 H80 Ag2 F12 P2 S8 -","2","1","CV6019","Chen, Wei; Du, Miao; Zhang, Ruo-Hua; Bu, Xian-He","Poly[[silver(I)-di-μ-1,5-bis(phenylthio)pentane] hexafluorophosphate]: a two-dimensional molecular-rectangle coordination ploymer","Acta Crystallographica Section E","2001","57","6","m213","m215","10.1107/S1600536801006560","","","0.71073","MoKα","","0.0418","0.034","","","","0.0892","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200420","12.6506","0.0006","10.1894","0.0005","19.8565","0.0012","90","","107.16","0.005","90","","2445.6","0.2","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","4","","Héctor Novoa de Armas; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Xuárez Marill, Lisbet","2-(4-Methoxyphenyl)aminobenzoic acid","Acta Crystallographica, Section E","2001","57","","o638","o640","10.1107/S1600536801010364","","","","","","","","","","","","","","","","","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200690","13.899","0.007","9.956","0.008","9.051","0.002","90","","108.726","0.008","90","","1186.2","1.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","DL-phenylalaninium dihydrogen phosphate","DL-phenylalaninium dihydrogen phosphate","","- C9 H14 N O6 P -","- C9 H14 N O6 P -","- C36 H56 N4 O24 P4 -","4","2","NA6096","B. Ravikumar; B. Sridhar; R. K. Rajaram","<small>DL</small>-Phenylalaninium dihydrogen phosphate","Acta Crystallographica Section E","2001","57","11","o1078","o1080","10.1107/S1600536801016993","","","0.71073","MoKα","","0.0318","0.0277","","","","0.0744","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201020","12.817","0.002","5.713","0.001","8.074","0.003","90","","106.15","0.03","90","","567.9","0.3","293","1","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","benzylphenylphosphine oxide","","- C13 H13 O P -","- C13 H13 O P -","- C26 H26 O2 P2 -","2","1","BT6118","Kruszynski, Rafal; Wieczorek, Wanda; Pietrusiewicz, K. Michał","Racemic benzylphenylphosphine oxide","Acta Crystallographica Section E","2002","58","4","o390","o392","10.1107/S1600536802003963","","","1.54178","CuKα","","0.0631","0.0628","","","0.1625","0.1629","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201049","3.8899","0.0005","8.4355","0.0011","11.4569","0.0015","90","","96.53","0.005","90","","373.5","0.08","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","1-thiocoumarin","2H-thiochromene-2-one","","- C9 H6 O S -","- C9 H6 O S -","- C18 H12 O2 S2 -","2","1","CF6156","Munshi, Parthapratim; Guru Row, T. N.","2<i>H</i>-Thiochromen-2-one","Acta Crystallographica Section E","2002","58","4","o353","o354","10.1107/S1600536802003628","","","0.71073","MoKα","","0.0305","0.0294","","","0.071","0.0715","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201222","6.8629","0.0004","9.1707","0.0005","10.7176","0.0006","90","","108.048","0.001","90","","641.35","0.06","223","2","223","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H14 N4 S -","- C13 H14 N4 S -","- C26 H28 N8 S2 -","2","1","YA6100","Lai, Chian Sing; Tiekink, Edward R. T.","1,3-Bis(3-pyridylmethyl)-2-thiourea","Acta Crystallographica Section E","2002","58","5","o538","o539","10.1107/S1600536802006220","","","0.71069","MoKα","","0.041","0.04","","","0.11","0.111","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202147","5.0052","0.0011","9.9004","0.0016","12.1749","0.0012","90","","92.199","0.015","90","","602.86","0.17","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","OM6130","Shang Shan; Duan-Jun Xu; Jing-Yun Wu; Michael Y. Chiang","Salicylaldehyde 4-nitrophenylhydrazone","Acta Crystallographica Section E","2003","59","3","o342","o343","10.1107/S1600536803003350","","","0.71073","MoKα","","0.073","0.032","","","0.076","0.091","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202786","7.9315","0.0006","29.13","0.002","6.1111","0.0005","90","","92.383","0.003","90","","1410.72","0.18","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","2-naphthyl p-toluenesulfonate","2-naphthyl 4-toluenesulfonate","","- C17 H14 O3 S -","- C17 H14 O3 S -","- C68 H56 O12 S4 -","4","2","OB6263","Nagarajan Vembu; Maruthai Nallu; Elinor C. Spencer; Judith A. K. Howard","2-Naphthyl 4-toluenesulfonate: supramolecular aggregation through C—H···O and C—H···π interactions","Acta Crystallographica Section E","2003","59","7","o1033","o1035","10.1107/S1600536803013849","","","0.71073","MoKα","","0.0519","0.0471","","","0.1103","0.1122","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203049","5.2319","0.0001","16.2576","0.0003","9.6044","0.0001","90","","96.53","0.001","90","","811.63","0.02","183","2","183","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(N-Salicylidene-DL-glutamato)(2-methylimidazole)copper(II)","","- C16 H17 Cu N3 O5 -","- C16 H17 Cu N3 O5 -","- C32 H34 Cu2 N6 O10 -","2","1","CF6312","Vratislav Langer; Eva Scholtzová; Dalma Gyepesová; Mária Kohútová; Aladár Valent","(<i>N</i>-Salicylidene-<small>D</small>,<small>L</small>-glutamato)(2-methylimidazole)copper(II)","Acta Crystallographica Section E","2004","60","1","m129","m132","10.1107/S1600536803028769","","","0.71073","MoKα","","0.0575","0.0458","","","0.1016","0.108","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203793","7.851","0.002","7.657","0.002","16.296","0.004","90","","111.09","0.01","90","","914","0.4","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4,7-Dibromobenzo[c]furazan 1-oxide‒pyrene (1/1)","","- C22 H12 Br2 N2 O2 -","- C22 H12 Br2 N2 O2 -","- C44 H24 Br4 N4 O4 -","2","1","NA6330","Britton, Doyle","4,7-Dibromobenzo[<i>c</i>]furazan 1-oxide‒pyrene (1/1)","Acta Crystallographica Section E","2004","60","6","o1117","o1118","10.1107/S1600536804012449","","","0.71073","MoKα","","0.082","0.051","","","0.111","0.127","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","201973","2020-10-21","18:00:00",""
"2204566","13.534","0.003","5.071","0.001","21.294","0.006","90","","128.31","0.02","90","","1146.7","0.6","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(1H-Benzimidazole-κN^3^)[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato-κ^3^O,N,O']copper(II) methanol solvate","","- C24 H24 Cu N4 O5 -","- C24 H24 Cu N4 O5 -","- C48 H48 Cu2 N8 O10 -","2","1","RZ6009","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","(1<i>H</i>-Benzimidazole-κ<i>N</i>^3^)[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II) methanol solvate","Acta Crystallographica Section E","2004","60","11","m1675","m1677","10.1107/S1600536804026169","","","0.71073","MoKα","","0.05","0.039","","","0.085","0.089","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205190","10.2362","0.0012","8.9429","0.0011","10.3855","0.0012","90","","91.887","0.002","90","","950.2","0.2","295","2","295","2","","","","","","","","6","P 1 c 1","P -2yc","7","","2-(1H-Benzotriazol-1-yl)-3-(4-chlorophenyl)-3-hydroxy-N-phenylprop- 2-enethioamide","","- C21 H15 Cl N4 O S -","- C21 H15 Cl N4 O S -","- C42 H30 Cl2 N8 O2 S2 -","2","1","WW6347","Xu, Liangzhong; Yang, Shuanghua; Zhu, Chongyi; Li, Kai; Liu, Faqian","2-(1<i>H</i>-Benzotriazol-1-yl)-3-(4-chlorophenyl)-3-hydroxy-<i>N</i>-phenylprop-2-enethioamide","Acta Crystallographica Section E","2005","61","2","o259","o260","10.1107/S160053680500019X","","","0.71073","MoKα","","0.0563","0.0349","","","0.082","0.09","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205551","10.3982","0.0007","5.7749","0.0004","11.248","0.0008","90","","96.132","0.001","90","","671.56","0.08","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C34 H32 O6 -","2","1","LH6387","George R. Clark; Kit Yee Tsang; Margaret A. Brimble","5-Methoxyspiro[1-benzofuran-2(3<i>H</i>),2'-chroman]","Acta Crystallographica Section E","2005","61","4","o1123","o1124","10.1107/S1600536805008743","","","0.71073","MoKα","","0.034","0.0298","","","0.0771","0.08","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205937","5.723","0.0013","3.6965","0.0009","10.244","0.002","90","","97.689","0.007","90","","214.76","0.08","158","","158","","","","","","","","","3","P 1 c 1","P -2yc","7","","1H-Imidazole-4-carbonitrile","","- C4 H3 N3 -","- C4 H3 N3 -","- C8 H6 N6 -","2","1","GH6011","Less, Gregory B.; Rasmussen, Paul G.; Kampf, Jeff W.","1<i>H</i>-Imidazole-4-carbonitrile","Acta Crystallographica Section E","2005","61","6","o1704","o1706","10.1107/S1600536805014509","","","0.71073","MoKα","","0.0326","0.0315","","","0.0786","0.0794","","","","","","1.131","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206158","10.949","0.004","9.344","0.003","18.961","0.005","90","","109.154","0.016","90","","1832.5","1","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","exo spiroalcohol","2-Hydroxy-2'-oxo-1,2,3,3a,8,8a,1',2',3',4'-decahydrospiro[cyclopenta[a]indene- 3,1'-naphthalen]-8-yl acetate","","- C23 H22 O4 -","- C23 H22 O4 -","- C92 H88 O16 -","4","2","CI6600","Hong-Tao Mu; He-Yang Li; Hai-Bin Song; Wen-Bin Chen","2-Hydroxy-2'-oxo-1,2,3,3a,8,8a,1',2',3',4'-decahydrospiro[cyclopenta[<i>a</i>]indene-3,1'-naphthalen]-8-yl acetate","Acta Crystallographica Section E","2005","61","7","o2305","o2307","10.1107/S1600536805019835","","","0.71073","MoKα","","0.0454","0.0338","","","0.0792","0.0873","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206398","5.0999","0.0008","4.6273","0.0008","15.0106","0.0019","90","","107.093","0.005","90","","338.58","0.09","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(Carboxymethyl)uracil","","- C6 H6 N2 O4 -","- C6 H6 N2 O4 -","- C12 H12 N4 O8 -","2","1","CV6542","Jing Xiong; Miao-Chang Liu; Ji-Xin Yuan","1-(Carboxymethyl)uracil","Acta Crystallographica Section E","2005","61","8","o2665","o2667","10.1107/S1600536805022774","","","0.71073","MoKα","","0.0675","0.0659","","","0.1472","0.1481","","","","","","1.265","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207085","13.74","0.003","9.405","0.002","9.997","0.002","90","","102.19","0.004","90","","1262.7","0.5","292","2","292","2","","","","","","","","3","P 1 c 1","P -2yc","7","","(RS)-2,6-Dimethoxy-4-(2-methoxypropyl)phenol","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","2","WN6371","Meng, Xiang-Gao; Wu, An-Xin","(<i>RS</i>)-2,6-Dimethoxy-4-(2-methoxypropyl)phenol","Acta Crystallographica Section E","2005","61","10","o3176","o3178","10.1107/S1600536805027790","","","0.71073","MoKα","","0.072","0.0571","","","0.15","0.1641","","","","","","0.967","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2207352","7.439","0.001","11.215","0.001","16.541","0.001","90","","93.96","0.01","90","","1376.7","0.2","299","2","299","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N-Benzyl-8-nitroquinolin-2-amine","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C64 H52 N12 O8 -","4","2","SU6227","da Silva, Luiz Everson; Joussef, Antonio C.; Foro, Sabine; Schmidt, Boris","<i>N</i>-Benzyl-8-nitroquinolin-2-amine","Acta Crystallographica Section E","2005","61","11","o3837","o3838","10.1107/S1600536805033908","","","1.5418","CuKα","","0.053","0.0459","","","0.1132","0.1185","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207596","8.26","0.001","9.706","0.001","7.77","0.001","90","","117.45","0.01","90","","552.8","0.12","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","","Dimethyl dipropargylmalonate","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","LH6542","Bolte, Michael; Naumann, Frank; Hashmi, A. Stephen K.","Dimethyl dipropargylmalonate","Acta Crystallographica Section E","2005","61","12","o4025","o4027","10.1107/S1600536805035890","","","0.71073","MoKα","","0.0302","0.0278","","","0.0765","0.0776","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207597","10.7715","0.001","5.4301","0.0005","12.9139","0.0012","90","","119.58","0.007","90","","656.89","0.11","295","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","2-Carboxypyridinium hydrogen chloranilate","","- C12 H7 Cl2 N O6 -","- C12 H7 Cl2 N O6 -","- C24 H14 Cl4 N2 O12 -","2","1","LH6547","Tabuchi, Youhei; Takahashi, Akiko; Gotoh, Kazuma; Akashi, Haruo; Ishida, Hiroyuki","2-Carboxypyridinium hydrogen chloranilate","Acta Crystallographica Section E","2005","61","12","o4215","o4217","10.1107/S1600536805037591","","","0.71073","MoKα","","0.0384","0.0311","","","0.0693","0.0717","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207674","18.354","0.004","9.658","0.002","18.982","0.003","90","","119.69","0.02","90","","2923.1","1.2","293","2","295","2","","","","","","","","6","P 1 c 1","P -2yc","7","","catena-poly[triethylammonium [triphenylstannate(IV)-μ-2,5-thiophenedicarboxylato]]","","- C30 H33 N O4 S Sn -","- C30 H33 N O4 S Sn -","- C120 H132 N4 O16 S4 Sn4 -","4","2","TK6281","Ng, Seik Weng","Rerefinement of <i>catena</i>-poly[triethylammonium [triphenylstannate(IV)-μ-2,5-thiophenedicarboxylato]] in the space group <i>Pc</i>","Acta Crystallographica Section E","2005","61","12","m2512","m2513","10.1107/S1600536805035622","","","0.71073","MoKα","","0.055","0.041","","","0.101","0.111","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207801","7.4546","0.0007","12.3272","0.0011","10.5333","0.0009","90","","90.142","0.011","90","","967.95","0.15","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","Triaqua(2,2'-bipyridine)(2-sulfonatobenzoato)cobalt(II)","","- C17 H18 Co N2 O8 S -","- C17 H18 Co N2 O8 S -","- C34 H36 Co2 N4 O16 S2 -","2","1","IS6152","Hong-Ping Xiao","Triaqua(2,2'-bipyridine)(2-sulfonatobenzoato)cobalt(II)","Acta Crystallographica Section E","2006","62","1","m95","m97","10.1107/S1600536805041188","","","0.71073","MoKα","","0.0235","0.0231","","","0.0572","0.0574","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208137","6.475","0.0002","24.7258","0.0007","7.3573","0.0002","90","","93.2126","0.0002","90","","1176.05","0.06","123","2","","","","","","","","","","6","P 1 c 1","P -2yc","7","","Hexaaqua(4-chloro-3-formylbenzenesulfonato)calcium(II) 4-chloro-3-formylbenzenesulfonate monohydrate","","- C14 H22 Ca Cl2 O15 S2 -","- C14 H22 Ca Cl2 O15 S2 -","- C28 H44 Ca2 Cl4 O30 S4 -","2","1","OM6276","Wallace, Dawn; Reglinski, John; Taylor, Michelle K.; Kennedy, Alan R.","Hexaaqua(4-chloro-3-formylbenzenesulfonato)calcium(II) 4-chloro-3-formylbenzenesulfonate monohydrate","Acta Crystallographica Section E","2006","62","2","m339","m341","10.1107/S160053680600136X","","","0.71073","MoKα","","0.0506","0.0349","","","0.0613","0.0673","","","","","","1.046","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2208172","5.62","0.0011","14.447","0.003","10.149","0.002","90","","96.04","0.03","90","","819.4","0.3","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","loureirin B","1-(4-Hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one","","- C18 H20 O5 -","- C18 H20 O5 -","- C36 H40 O10 -","2","1","SJ6190","Yong-Bin Lu; Qi-Tai Zheng; Yang Lu","1-(4-Hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one","Acta Crystallographica Section E","2006","62","2","o469","o470","10.1107/S1600536805043138","","","0.71073","MoKα","","0.0771","0.0762","","","0.1835","0.1842","","","","","","1.186","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209224","9.8887","0.0008","11.3492","0.0006","14.6304","0.0012","90","","119.701","0.009","90","","1426.2","0.2","153","2","153","2","","","","","","","","7","P 1 c 1","P -2yc","7","","catena-Poly[bis[silver(I)-μ-4,4'-bipyridine-κ^2^N:N'] hexafluorosilicate dihydrate ethylene glycol disolvate]","","- C24 H32 Ag2 F6 N4 O6 Si -","- C24 H32 Ag2 F6 N4 O6 Si -","- C48 H64 Ag4 F12 N8 O12 Si2 -","2","1","IS2032","Déborah González Mantero; Antonia Neels; Helen Stoeckli-Evans","<i>catena</i>-Poly[bis[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] hexafluorosilicate dihydrate ethylene glycol disolvate]","Acta Crystallographica Section E","2006","62","6","m1381","m1383","10.1107/S1600536806018150","","","0.71073","MoKα","","0.0668","0.0421","","","0.0878","0.0932","","","","","","0.836","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209270","3.6239","0.001","8.132","0.0011","9.392","0.004","90","","97.97","0.03","90","","274.1","0.15","290","2","290","2","","","","","","","","4","P 1 c 1","P -2yc","7","Sodiumhydrogensquaratemonohydrate","sodium 2-hydroxy-3,4-dioxocyclobut-1-en-1-olate hydrate","","- C4 H3 Na O5 -","- C4 H3 Na O5 -","- C8 H6 Na2 O10 -","2","1","OB2016","Nadia Petrova; Boris Shivachev; Tsonko Kolev; Rosica Petrova","Sodium hydrogensquarate monohydrate","Acta Crystallographica Section E","2006","62","6","m1359","m1361","10.1107/S160053680601806X","","","0.71073","MoKα","","0.1029","0.0577","","","0.1235","0.1454","","","","","","1.195","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2209298","7.687","0.001","19.102","0.003","13.841","0.002","90","","118.452","0.003","90","","1786.9","0.4","298","2","298","2","","","","","","","","7","P 1 c 1","P -2yc","7","","Dibromo{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}zinc(II)","","- C13 H18 Br2 Cl2 N2 O Zn -","- C13 H18 Br2 Cl2 N2 O Zn -","- C52 H72 Br8 Cl8 N8 O4 Zn4 -","4","2","RZ2041","San-Jun Peng; Cong-Shan Zhou; Tao Yang","Dibromo{2,4-dichloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2006","62","6","m1413","m1415","10.1107/S1600536806019222","","","0.71073","MoKα","","0.1236","0.0657","","","0.109","0.1295","","","","","","0.943","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209615","11.7365","0.0019","5.8687","0.0005","14.251","0.002","90","","134.496","0.004","90","","700.16","0.17","93.1","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(8-Quinolylaminomethylene)naphthalen-2(1H)-one","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","OB2023","Sakane, Genta; Kawasaki, Hideki; Shibahara, Takashi","1-(8-Quinolylaminomethylene)naphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2736","o2737","10.1107/S1600536806020836","","","0.7107","MoKα","","","0.0366","","","","0.1074","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209821","9.795","0.003","4.779","0.0013","14.951","0.004","90","","108.275","0.005","90","","664.6","0.3","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","3-[3-(4-methoxybenzoyl)thioureido]propionic acid","","- C12 H14 N2 O4 S -","- C12 H14 N2 O4 S -","- C24 H28 N4 O8 S2 -","2","1","CV2082","Ngah, Nurziana; Darman, Najiha; Yamin, Bohari M.","3-[3-(4-Methoxybenzoyl)thioureido]propionic acid","Acta Crystallographica Section E","2006","62","8","o3369","o3371","10.1107/S1600536806026833","","","0.71073","MoKα","","0.048","0.043","","","0.103","0.106","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210434","8.83","0.0018","5.874","0.0012","17.096","0.003","90","","111.37","0.03","90","","825.8","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-Dimethylaminopyridinium dichloroacetate dichloroacetic acid","","- C11 H14 Cl4 N2 O4 -","- C11 H14 Cl4 N2 O4 -","- C22 H28 Cl8 N4 O8 -","2","1","XU2088","Cai, Min-Ying; Chen, Jian-Zhong","4-Dimethylaminopyridinium dichloroacetate dichloroacetic acid","Acta Crystallographica Section E","2006","62","9","o3996","o3997","10.1107/S1600536806032363","","","0.71073","MoKα","","0.066","0.049","","","0.136","0.146","","","","","","0.988","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210949","10.886","0.005","11.525","0.005","13.236","0.006","90","","95.249","0.006","90","","1653.6","1.3","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","catena-Poly[[[trimethyltin(IV)]-μ-4,4'-bipyridyl-κ^2^N:N'-[trimethyltin(IV)]- μ-1,3,4-thiadiazole-2,5(3H)-dithionato(2-)-κ^2^N^3^:S^5^] 4,4'-bipyridine clathrate]","","- C28 H34 N6 S3 Sn2 -","- C28 H34 N6 S3 Sn2 -","- C56 H68 N12 S6 Sn4 -","2","1","CV2131","Lin-Lin Qiu; Ji-Kun Li; Jun-Shan Sun; Ru-Fen Zhang","<i>catena</i>-Poly[[[trimethyltin(IV)]-μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>'-[trimethyltin(IV)]-μ-1,3,4-thiadiazole-2,5(3<i>H</i>)-dithionato(2{-})-κ^2^<i>N</i>^3^:<i>S</i>^5^] 4,4'-bipyridine clathrate]","Acta Crystallographica Section E","2006","62","11","m3052","m3053","10.1107/S1600536806042899","","","0.71073","MoKα","","0.0477","0.0364","","","0.0829","0.0916","","","","","","1.001","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211702","5.1039","0.0003","6.1761","0.0006","28.5758","0.0018","90","","92.444","0.005","90","","899.95","0.12","296","","296","","","","","","","","","4","P 1 c 1","P -2yc","7","","[2-Methyl-4-(3-oxo-1,3-dihydroisobenzofuran-1-ylamino)phenyl]isobenzofuran- 1(3H)-one","","- C23 H17 N O4 -","- C23 H17 N O4 -","- C46 H34 N2 O8 -","2","1","AT2176","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","[2-Methyl-4-(3-oxo-1,3-dihydroisobenzofuran-1-ylamino)phenyl]isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2007","63","1","o22","o24","10.1107/S1600536806051063","","","0.71073","MoKα","","0.0734","0.061","","","0.1757","0.1845","","","","","","1.086","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211778","19.875","0.009","7.393","0.003","11.529","0.005","90","","99.622","0.009","90","","1670.2","1.2","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","Ethyl 3-[4-(ethoxycarbonyl)phenyl]-3,4-dihydroquinazoline-6-carboxylate","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","2","CS2024","Bhuiyan, M. Delower H.; Clegg, Jack K.; Try, Andrew C.","Ethyl 3-[4-(ethoxycarbonyl)phenyl]-3,4-dihydroquinazoline-6-carboxylate","Acta Crystallographica Section E","2007","63","1","o308","o310","10.1107/S1600536806052949","","","0.71073","MoKα","","0.0727","0.0449","","","0.0879","0.0948","","","","","","0.94","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211874","11.272","0.003","3.8023","0.0011","17.016","0.005","90","","97.051","0.008","90","","723.8","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","4-Chloro-2-nitroaniline","4-Chloro-2-nitroaniline","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C24 H20 Cl4 N8 O8 -","4","2","KP2069","Yang, Yuan; Englert, Ulli; Li, Qi","4-Chloro-2-nitroaniline","Acta Crystallographica Section E","2007","63","1","o114","o116","10.1107/S1600536806051233","","","0.71073","MoKα","","0.0761","0.046","","","0.0968","0.1089","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211932","13.846","0.011","6.986","0.006","6.176","0.005","90","","96.363","0.01","90","","593.7","0.8","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-Chloro-2-(p-tolyliminomethyl)phenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C28 H24 Cl2 N2 O2 -","2","1","SG2106","Zhang, Xin-Li; Li, Zong-Xiao","4-Chloro-2-(<i>p</i>-tolyliminomethyl)phenol","Acta Crystallographica Section E","2007","63","1","o319","o320","10.1107/S1600536806053050","","","0.71073","MoKα","","0.0536","0.0374","","","0.0887","0.0993","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211990","5.9765","0.0005","13.1069","0.001","7.276","0.0006","90","","99.829","0.007","90","","561.59","0.08","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","2,2'-Bipyridinium fluorotrioxochromate(VI)","","- C10 H9 Cr F N2 O3 -","- C10 H9 Cr F N2 O3 -","- C20 H18 Cr2 F2 N4 O6 -","2","1","AT2140","Özyürek, Cengiz; Şendil, Kıvılcım; Dilek, Nefise; Ocak Iskeleli, Nazan","2,2'-Bipyridinium fluorotrioxochromate(VI)","Acta Crystallographica Section E","2007","63","2","m613","m614","10.1107/S1600536806045648","","","0.71073","MoKα","","0.0331","0.0329","","","0.0861","0.0864","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212371","6.1044","0.0001","10.1495","0.0002","20.4177","0.0004","90","","105.691","0.001","90","","1217.87","0.04","100","0.1","297","2","","","","","","","","4","P 1 c 1","P -2yc","7","","3-Amino-5,5-dimethyl-2-phenylcyclohex-2-en-1-one","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","2","SJ2203","Hoong-Kun Fun; Yong-Miao Shen; Jian-Hua Xu; Suchada Chantrapromma","3-Amino-5,5-dimethyl-2-phenylcyclohex-2-en-1-one","Acta Crystallographica Section E","2007","63","2","o462","o464","10.1107/S1600536806055097","","","0.71073","MoKα","","0.0644","0.0522","","","0.1374","0.1466","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212563","8.9411","0.0004","6.3404","0.0003","12.9039","0.0005","90","","113.189","0.003","90","","672.42","0.05","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(2,2'-Bipyridine)tetracarbonylmolybdenum(0)","","- C14 H8 Mo N2 O4 -","- C14 H8 Mo N2 O4 -","- C28 H16 Mo2 N4 O8 -","2","1","HB2279","Braga, Susana S.; Coelho, Ana C.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","(2,2'-Bipyridine)tetracarbonylmolybdenum(0)","Acta Crystallographica Section E","2007","63","3","m780","m782","10.1107/S1600536807007234","","","0.71073","MoKα","","0.0238","0.0224","","","0.0474","0.0479","","","","","","1.059","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212758","7.4049","0.0008","4.2957","0.0003","20.154","0.002","90","","108.847","0.008","90","","606.71","0.1","296","","296","","","","","","","","","4","P 1 c 1","P -2yc","7","3-(2-pyridyliminomethyl)-5-methylsalicylaldehyde","(E)-2-Hydroxy-5-methyl-3-[(2-pyridylimino)methyl]benzaldehyde","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","1","AT2241","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan; Narayana, B.; Vijesh, A. M.; Yathirajan, H. S.","(<i>E</i>)-2-Hydroxy-5-methyl-3-[(2-pyridylimino)methyl]benzaldehyde","Acta Crystallographica Section E","2007","63","4","o1916","o1918","10.1107/S1600536807012913","","","0.71073","MoKα","","0.058","0.043","","","0.1059","0.1144","","","","","","0.985","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212792","16.386","0.002","3.9388","0.0008","28.566","0.003","90","","90.272","0.009","90","","1843.7","0.5","303","2","303","2","","","","","","","","5","P 1 c 1","P -2yc","7","N-(2-nitrophenyl)-2-chloroacetamide","2-Chloro-N-(2-nitrophenyl)acetamide","","- C8 H7 Cl N2 O3 -","- C8 H7 Cl N2 O3 -","- C64 H56 Cl8 N16 O24 -","8","4","BT2290","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","2-Chloro-<i>N</i>-(2-nitrophenyl)acetamide","Acta Crystallographica Section E","2007","63","4","o1975","o1976","10.1107/S1600536807013025","","","0.71073","MoKα","","0.1003","0.0533","","","0.1067","0.1234","","","","","","0.904","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213026","7.4936","0.0007","4.5019","0.0003","20.677","0.002","90","","109.273","0.007","90","","658.45","0.1","296","","296","","","","","","","","","4","P 1 c 1","P -2yc","7","","(E)-2-Hydroxy-5-methyl-3-[(4-methyl-2-pyridyl)iminomethyl]benzaldehyde","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","SJ2259","Büyükgüngör, Orhan; Odabaşoğlu, Mustafa; Narayana, B.; Vijesh, A. M.; Yathirajan, H. S.","(<i>E</i>)-2-Hydroxy-5-methyl-3-[(4-methyl-2-pyridyl)iminomethyl]benzaldehyde","Acta Crystallographica Section E","2007","63","4","o1996","o1998","10.1107/S1600536807013177","","","0.71073","MoKα","","0.0424","0.0319","","","0.0766","0.0805","","","","","","0.947","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213167","6.5423","0.0008","14.3317","0.0016","7.804","0.0009","90","","93.284","0.002","90","","730.52","0.15","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","2-Bromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylprop-2-en-1-one","","- C15 H8 Br Cl2 F O -","- C15 H8 Br Cl2 F O -","- C30 H16 Br2 Cl4 F2 O2 -","2","1","BT2321","V. Dhanasekaran; D. Gayathri; D. Velmurugan; K. Ravikumar; M. S. Karthikeyan","2-Bromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2007","63","5","o2309","o2310","10.1107/S1600536807016145","","","0.71073","MoKα","","0.0332","0.0303","","","0.0758","0.0771","","","","","","0.926","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213208","7.942","0.003","6.751","0.002","21.964","0.008","90","","108.861","0.012","90","","1114.4","0.7","297","2","297","2","","","","","","","","6","P 1 c 1","P -2yc","7","","2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-bromobenzenesulfonate","","- C25 H22 Br N O5 S -","- C25 H22 Br N O5 S -","- C50 H44 Br2 N2 O10 S2 -","2","1","CI2324","Suchada Chantrapromma; Boonwasana Jindawong; Hoong-Kun Fun; P. S. Patil","2-[(<i>E</i>)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-bromobenzenesulfonate","Acta Crystallographica Section E","2007","63","5","o2124","o2126","10.1107/S1600536807014213","","","0.71073","MoKα","","0.0418","0.0372","","","0.0878","0.0903","","","","","","0.966","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213297","15.681","0.002","5.6574","0.0007","9.2758","0.001","90","","104.746","0.009","90","","795.79","0.17","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","N'-[(1E)-(4-Fluorophenyl)methylene]-6-methoxy-2-naphthohydrazide","","- C19 H15 F N2 O2 -","- C19 H15 F N2 O2 -","- C38 H30 F2 N4 O4 -","2","1","FB2048","Yathirajan, H. S.; Narayana, B.; Sunil, K.; Sarojini, B. K.; Bolte, Michael","<i>N</i>'-[(1<i>E</i>)-(4-Fluorophenyl)methylene]-6-methoxy-2-naphthohydrazide","Acta Crystallographica Section E","2007","63","5","o2565","o2565","10.1107/S160053680701820X","","","0.71073","MoKα","","0.0752","0.0626","","","0.1239","0.1271","","","","","","1.569","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213455","8.66","0.0015","12.19","0.002","12.496","0.002","90","","99.317","0.002","90","","1301.7","0.4","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Bis[2-(1-naphthyliminomethyl)phenolato-κ^2^N,O]copper(II)","","- C34 H24 Cu N2 O2 -","- C34 H24 Cu N2 O2 -","- C68 H48 Cu2 N4 O4 -","2","1","LH2354","Jian-Fang Dong; Lian-Zhi Li; Li-Wei Gao; Tao Xu; Da-Qi Wang","Bis[2-(1-naphthyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section E","2007","63","5","m1375","m1376","10.1107/S1600536807016261","","","0.71073","MoKα","","0.0991","0.0672","","","0.1545","0.1756","","","","","","1.012","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213639","8.822","0.007","10.793","0.008","11.029","0.008","90","","98.896","0.013","90","","1037.5","1.4","294","2","294","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(<i>E</i>)-2-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4- ylimino)methylene]phenyl benzenesulfonate","","- C24 H21 N3 O4 S -","- C24 H21 N3 O4 S -","- C48 H42 N6 O8 S2 -","2","1","AT2134","Chen, Xin; Yu, Ming","(<i>E</i>)-2-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-ylimino)methylene]phenyl benzenesulfonate","Acta Crystallographica Section E","2007","63","6","o2936","o2938","10.1107/S1600536806043546","","","0.71073","MoKα","","0.0704","0.0447","","","0.0941","0.1101","","","","","","1.021","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213750","8.304","0.002","5.534","0.001","8.237","0.002","90","","111.36","0.03","90","","352.53","0.15","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Benzenesulfonamide","","- C6 H7 N O2 S -","- C6 H7 N O2 S -","- C12 H14 N2 O4 S2 -","2","1","DN2171","B. Thimme Gowda; Roopa Nayak; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess","Benzenesulfonamide","Acta Crystallographica Section E","2007","63","6","o2967","o2967","10.1107/S1600536807024221","","","0.71073","MoKα","","0.1037","0.0739","","","0.2301","0.2598","","","","","","1.006","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214281","8.4578","0.0016","9.0329","0.0017","9.6474","0.0018","90","","108.932","0.003","90","","697.2","0.2","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","2-(1-Naphthylmethyl)-1H-benzo[d]imidazole","","- C18 H14 N2 -","- C18 H14 N2 -","- C36 H28 N4 -","2","1","IS2176","Ming-Wu Ding; Yang-Gen Hu; Ming-Guo Liu","2-(1-Naphthylmethyl)-1<i>H</i>-benzo[<i>d</i>]imidazole","Acta Crystallographica Section E","2007","63","7","o3184","o3184","10.1107/S1600536807028449","","","0.71073","MoKα","","0.0705","0.0439","","","0.088","0.0978","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214354","5.7294","0.0011","12.924","0.003","23.683","0.005","90","","95.64","0.03","90","","1745.2","0.6","295","2","295","2","","","","","","","","6","P 1 c 1","P -2yc","7","","[1-(2-Oxidobenzylidene)-4-phenylthiosemicarbazonato- κ^3^S,N^1^,O](pyridine-κN)nickel(II)","","- C19 H16 N4 Ni O S -","- C19 H16 N4 Ni O S -","- C76 H64 N16 Ni4 O4 S4 -","4","2","NG2284","Zi-Ying Cao; Deng, Zhao-Peng; Gao, Shan","[1-(2-Oxidobenzylidene)-4-phenylthiosemicarbazonato-κ^3^<i>S</i>,<i>N</i>^1^,<i>O</i>](pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2007","63","7","m1961","m1962","10.1107/S1600536807029698","","","0.71073","MoKα","","0.0771","0.0369","","","0.0656","0.0885","","","","","","1.061","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214436","10.8945","0.0002","9.7106","0.0002","32.6158","0.0005","90","","109.412","0.001","90","","3254.34","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(3,4-Dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C152 H168 N8 O24 -","8","4","WN2156","P. S. Patil; Suchada Chantrapromma; Hoong-Kun Fun; S. M. Dharmaprakash","1-(3,4-Dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2007","63","7","o3253","o3254","10.1107/S1600536807029029","","","0.71073","MoKα","","0.0562","0.044","","","0.116","0.128","","","","","","1.046","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214469","7.6088","0.0015","9.3094","0.0019","12.27","0.004","90","","122.38","0.02","90","","734","0.4","113","2","113","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Poly[[(2,2-bipyridine-κ^2^N,N')cobalt(II)]-μ~3~- pyridine-3,4-dicarboxylato-κ^4^N:O^4^,O^4'^:O^2^]","","- C17 H11 Co N3 O4 -","- C17 H11 Co N3 O4 -","- C34 H22 Co2 N6 O8 -","2","1","ZL2031","Hui-Hua Song; Ya-Juan Li","Poly[[(2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ~3~-pyridine-3,4-dicarboxylato-κ^4^<i>N</i>:<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^4'^]","Acta Crystallographica Section E","2007","63","7","m1789","m1789","10.1107/S160053680702541X","","","0.71073","MoKα","","0.0427","0.0357","","","0.0728","0.0759","","","","","","0.996","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214507","9.5303","0.0002","10.4028","0.0002","18.0951","0.0004","90","","90.1433","0.0014","90","","1793.98","0.06","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1,1,1-Tris[(diphenylphosphoryl)methyl]propane monohydrate","","- C42 H43 O4 P3 -","- C42 H43 O4 P3 -","- C84 H86 O8 P6 -","2","1","BH2120","Grigoriev, Mikhail S.; Pisareva, Svetlana A.; Safiulina, Alfiya M.; Nifant'ev, Eduard E.","1,1,1-Tris[(diphenylphosphoryl)methyl]propane monohydrate","Acta Crystallographica Section E","2007","63","8","o3441","o3442","10.1107/S1600536807032527","","","0.71073","MoKα","","0.0453","0.0348","","","0.0657","0.0683","","","","","","0.95","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214552","8.2794","0.0012","10.1065","0.0014","13.7018","0.0019","90","","104.333","0.003","90","","1110.8","0.3","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N,N'-Bis(1,3-dimethylimidazolidin-2-ylidene)-2,2'-dithiodianiline","","- C22 H28 N6 S2 -","- C22 H28 N6 S2 -","- C44 H56 N12 S4 -","2","1","BT2431","Neuba, Adam; Flörke, Ulrich; Henkel, Gerald","<i>N</i>,<i>N</i>'-Bis(1,3-dimethylimidazolidin-2-ylidene)-2,2'-dithiodianiline","Acta Crystallographica Section E","2007","63","8","o3476","o3477","10.1107/S1600536807033405","","","0.71073","MoKα","","0.0359","0.0347","","","0.0874","0.0883","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214732","7.3384","0.0003","8.8325","0.0003","15.756","0.0005","90","","96.576","0.002","90","","1014.53","0.06","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","3,4,5-Trimethoxybenzoic acid","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","2","HK2288","Ghulam Qadeer; Nasim Hasan Rama; Murat Tas̨; Okan Zafer Yes̨ilel; Wai-Yeung Wong","3,4,5-Trimethoxybenzoic acid","Acta Crystallographica Section E","2007","63","8","o3456","o3456","10.1107/S1600536807033429","","","0.71073","MoKα","","0.0701","0.0388","","","0.0878","0.0941","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215052","5.973","0.00001","15.0731","0.0005","14.6768","0.0004","90","","95.785","0.002","90","","1314.65","0.06","203","","203","","","","","","","","","4","P 1 c 1","P -2yc","7","","(2E)-1-(4-Methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","2","CI2427","Butcher, Ray J.; Jasinski, Jerry P.; Yathirajan, H. S.; Veena, K.; Narayana, B.","(2<i>E</i>)-1-(4-Methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","9","o3680","o3680","10.1107/S1600536807037063","","","0.71073","MoKα","","0.1071","0.0551","","","0.1245","0.1619","","","","","","1.245","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215640","4.8362","0.0004","10.582","0.0009","10.1164","0.0007","90","","102.183","0.005","90","","506.06","0.07","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","catena-Poly[[dichloridozinc(II)]-μ-1-carboxylatomethyl-3-methylimidazolium-\ κ^2^O:O']","","- C6 H8 Cl2 N2 O2 Zn -","- C6 H8 Cl2 N2 O2 Zn -","- C12 H16 Cl4 N4 O4 Zn2 -","2","1","RK2036","Xia Shi; Jie Zhang; Tao-Kai Ying; Guo-Liang Zhao","<i>catena</i>-Poly[[dichloridozinc(II)]-μ-1-carboxylatomethyl-3-methylimidazolium-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2007","63","10","m2603","m2603","10.1107/S1600536807046545","","","0.71073","MoKα","","","0.0328","","","0.065","0.0681","","","","","","1.013","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215721","7.8036","0.0004","4.3526","0.0002","26.6839","0.0011","90","","97.02","0.004","90","","899.55","0.07","296","","296","","","","","","","","","4","P 1 c 1","P -2yc","7","","(2E)-3-(3,5-Dichloro-4-methoxy-2,6-dimethylphenyl)-1-(2,4-dichlorophenyl)prop- 2-en-1-one","","- C18 H14 Cl4 O2 -","- C18 H14 Cl4 O2 -","- C36 H28 Cl8 O4 -","2","1","AT2412","Jasinski, Jerry P.; Butcher, Ray J.; Mayekar, Anil N.; Narayana, B.; Yathirajan, H. S.","(2<i>E</i>)-3-(3,5-Dichloro-4-methoxy-2,6-dimethylphenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","11","o4229","o4230","10.1107/S1600536807047654","","","0.71073","MoKα","","0.1273","0.081","","","0.2024","0.2386","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215831","6.809","0.004","4.84","0.003","11.946","0.007","90","","92.218","0.009","90","","393.4","0.4","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","1-(carboxymethyl)-5-fluorouracil","5-fluoro-2,4,-dioxo-1,2,3,4-tetrahydropyrimidine-1-acetic acid","","- C6 H5 F N2 O4 -","- C6 H5 F N2 O4 -","- C12 H10 F2 N4 O8 -","2","1","CF2143","Qiao-Chu Zhang; Zhan Shu; Liang Shen; Qi Wang; Zhi-Min Jin","A second polymorph of 1-(carboxymethyl)-5-fluorouracil","Acta Crystallographica Section E","2007","63","11","o4214","o4214","10.1107/S1600536807046454","","","0.71073","MoKα","","0.0729","0.067","","","0.1978","0.2034","","","","","","1.009","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216348","10.644","0.003","4.4834","0.0012","15.807","0.004","90","","105.672","0.006","90","","726.3","0.3","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-(1<i>H</i>-Benzotriazol-1-yl)-<i>N'</i>-(2-hydroxybenzylidene)acetohydrazide","","- C15 H13 N5 O2 -","- C15 H13 N5 O2 -","- C30 H26 N10 O4 -","2","1","CF2170","Zhi-Qiang Shi; Ning-Ning Ji; Ze-Bao Zheng; Ji-Kun Li","2-(1<i>H</i>-Benzotriazol-1-yl)-<i>N</i>-(2-hydroxybenzylidene)acetohydrazide","Acta Crystallographica Section E","2007","63","12","o4642","o4642","10.1107/S1600536807056206","","","0.71073","MoKα","","0.1002","0.0455","","","0.0773","0.0954","","","","","","0.998","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216419","4.486","0.0015","20.379","0.007","9.497","0.003","90","","94.651","0.004","90","","865.4","0.5","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","9-Benzylidene-2,7-dichloro-4-oxiranyl-9<i>H</i>-fluorene","","- C22 H14 Cl2 O -","- C22 H14 Cl2 O -","- C44 H28 Cl4 O2 -","2","1","DN2271","Guo-Wu Rao; Zhi-Yan Hu; Ren-Hua Zheng; Ji-Zhong Yan","9-Benzylidene-2,7-dichloro-4-oxiranyl-9<i>H</i>-fluorene","Acta Crystallographica Section E","2007","63","12","o4786","o4786","10.1107/S1600536807057704","","","0.71073","MoKα","","0.0593","0.0487","","","0.1268","0.148","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216698","6.9237","0.0005","11.1007","0.0007","15.1376","0.0009","90","","106.507","0.003","90","","1115.49","0.13","297","2","297","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-[(<i>E</i>)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-methylquinolinium 4-methylbenzenesulfonate","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C52 H50 N2 O10 S2 -","2","1","NG2386","Suchada Chantrapromma; Boonwasana Jindawong; Hoong-Kun Fun","2-[(<i>E</i>)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-methylquinolinium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2007","63","12","o4928","o4929","10.1107/S1600536807061922","","","0.71073","MoKα","","0.0303","0.0298","","","0.077","0.0779","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216964","4.745","0.0009","6.042","0.0012","25.752","0.005","90","","91.93","0.03","90","","737.9","0.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","6-Chloro-N'-(2-hydroxy-1-naphthylmethylene)nicotinohydrazide","","- C17 H12 Cl N3 O2 -","- C17 H12 Cl N3 O2 -","- C34 H24 Cl2 N6 O4 -","2","1","BV2083","Feng Zhi","6-Chloro-<i>N</i>'-(2-hydroxy-1-naphthylmethylene)nicotinohydrazide","Acta Crystallographica Section E","2008","64","1","o150","o150","10.1107/S1600536807063611","","","0.71073","MoKα","","0.0945","0.0565","","","0.0957","0.1095","","","","","","0.991","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217009","3.893","0.002","8.181","0.005","22.563","0.015","90","","98.46","0.03","90","","710.8","0.7","291","2","291","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4,4-Bipyridine acetic acid disolvate","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C28 H32 N4 O8 -","2","1","DN2279","Ling Ye","4,4'-Bipyridine acetic acid disolvate","Acta Crystallographica Section E","2008","64","1","o46","o46","10.1107/S1600536807062319","","","0.71073","MoKα","","0.0847","0.0499","","","0.1037","0.1188","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218618","16.4389","0.0008","8.2903","0.0004","9.4902","0.0003","90","","98.165","0.004","90","","1280.25","0.1","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>-(2,6-Dimethylphenyl)benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","2","BT2724","Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Sowmya, B. P.; Fuess, Hartmut","<i>N</i>-(2,6-Dimethylphenyl)benzamide","Acta Crystallographica Section E","2008","64","7","o1299","","10.1107/S1600536808018230","","","0.71073","MoKα","","0.0461","0.039","","","0.1041","0.1078","","","","","","0.98","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218837","12.31","0.001","7.8307","0.0006","14.407","0.002","90","","111.52","0.01","90","","1292","0.2","299","2","299","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-Chloro-<i>N</i>-(2,3-dichlorophenyl)benzamide","","- C13 H8 Cl3 N O -","- C13 H8 Cl3 N O -","- C52 H32 Cl12 N4 O4 -","4","2","TK2277","Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut","2-Chloro-<i>N</i>-(2,3-dichlorophenyl)benzamide","Acta Crystallographica Section E","2008","64","7","o1342","","10.1107/S1600536808018679","","","0.71073","MoKα","","0.039","0.032","","","0.095","0.104","","","","","","1.14","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219021","10.666","0.003","5.0619","0.0016","14.848","0.005","90","","92.823","0.006","90","","800.7","0.4","294","2","294","2","","","","","","","","6","P 1 c 1","P -2yc","7","","4-(2-Nitrobenzenesulfonamido)pyridinium trifluoroacetate","","- C13 H10 F3 N3 O6 S -","- C13 H10 F3 N3 O6 S -","- C26 H20 F6 N6 O12 S2 -","2","1","HB2758","Li, Jiang-Sheng; Fan, Mei-Lian; Li, Wen-Sheng; Liu, Wei-Dong","4-(2-Nitrobenzenesulfonamido)pyridinium trifluoroacetate","Acta Crystallographica Section E","2008","64","8","o1459","","10.1107/S1600536808020825","","","0.71073","MoKα","","0.0808","0.0499","","","0.1236","0.1459","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2219028","6.1011","0.0003","12.4505","0.0006","9.0076","0.0004","90","","93.273","0.003","90","","683.12","0.06","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(4-Nitrophenyl)-2-(3-phenylallylidene)hydrazine","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C30 H26 N6 O4 -","2","1","HG2421","Bao, Feng-Yu","1-(4-Nitrophenyl)-2-(3-phenylallylidene)hydrazine","Acta Crystallographica Section E","2008","64","8","o1531","","10.1107/S1600536808021429","","","0.71073","MoKα","","0.097","0.0387","","","0.0807","0.1006","","","","","","0.945","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219296","6.2","0.003","4.788","0.002","25.32","0.011","90","","95.844","0.007","90","","747.7","0.6","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-Chloro-<i>N</i>'-(2-hydroxy-1-naphthylidene)benzohydrazide","","- C18 H13 Cl N2 O2 -","- C18 H13 Cl N2 O2 -","- C36 H26 Cl2 N4 O4 -","2","1","CI2654","Yang, De-Suo","4-Chloro-<i>N</i>'-(2-hydroxy-1-naphthylidene)benzohydrazide","Acta Crystallographica Section E","2008","64","9","o1759","","10.1107/S1600536808025828","","","0.71073","MoKα","","0.0354","0.0321","","","0.0765","0.0795","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219314","12.608","0.008","11.023","0.007","10.044","0.007","90","","105.94","0.03","90","","1342.2","1.5","291","2","291","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>'-(3-Phenylallylidene)isonicotinohydrazide","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","2","EZ2136","Bao, Feng-Yu","<i>N</i>'-(3-Phenylallylidene)isonicotinohydrazide","Acta Crystallographica Section E","2008","64","9","o1789","","10.1107/S1600536808026287","","","0.71073","MoKα","","0.0675","0.0593","","","0.1302","0.1338","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2220003","6.185","0.002","4.7638","0.0019","25.689","0.01","90","","95.449","0.007","90","","753.5","0.5","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(E)-4-Bromo-N'-(2-hydroxy-1-naphthylmethylene)benzohydrazide","","- C18 H13 Br N2 O2 -","- C18 H13 Br N2 O2 -","- C36 H26 Br2 N4 O4 -","2","1","SU2066","Diao, Yun-Peng; Zhang, Qi-Hui; Wang, Da-Cheng; Deng, Xu-Ming","(<i>E</i>)-4-Bromo-<i>N</i>'-(2-hydroxy-1-naphthylmethylene)benzohydrazide","Acta Crystallographica Section E","2008","64","11","o2070","","10.1107/S1600536808031395","","","0.71073","MoKα","","0.0562","0.0395","","","0.091","0.1013","","","","","","0.903","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220157","21.2367","0.0006","7.9954","0.0002","11.7987","0.0003","90","","105.059","0.002","90","","1934.57","0.09","90","0.5","90","0.5","","","","","","","","3","P 1 c 1","P -2yc","7","","2,5-bis(1,1,3,3-tetramethylbutyl)thiophene","","- C20 H36 S -","- C20 H36 S -","- C80 H144 S4 -","4","2","FB2113","Elnagar, Hassan Y.; Sabahi, Mahmood; Gatto, Vince J.; Fronczek, Frank R.","2,5-Bis(1,1,3,3-tetramethylbutyl)thiophene","Acta Crystallographica Section E","2008","64","12","o2396","","10.1107/S1600536808037434","","","1.54178","CuKα","","0.071","0.07","","","0.181","0.182","","","","","","1.08","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220450","7.6721","0.0002","15.2938","0.0004","14.5653","0.0003","90","","102.327","0.001","90","","1669.63","0.07","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","Tetrakis(μ-2-chloro-4-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)]","","- C28 H16 Cl4 Cu2 N4 O18 -","- C28 H16 Cl4 Cu2 N4 O18 -","- C56 H32 Cl8 Cu4 N8 O36 -","2","1","CI2732","Lim, Eng Khoon; Teoh, Siang Guan; Razak, Ibrahim Abdul; Jebas, Samuel Robinson; Fun, Hoong-Kun","Tetrakis(μ-2-chloro-4-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)]","Acta Crystallographica Section E","2009","65","1","m82","m83","10.1107/S1600536808041986","","","0.71073","MoKα","","0.0793","0.0487","","","0.1089","0.1212","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220773","16.4721","0.0015","9.0061","0.0008","9.6643","0.0009","90","","98.433","0.002","90","","1418.2","0.2","200","2","200","2","","","","","","","","4","P 1 c 1","P -2yc","7","","3-(1<i>H</i>-Benzimidazol-2-yl)-2-chloro-8-methylquinoline","","- C17 H12 Cl N3 -","- C17 H12 Cl N3 -","- C68 H48 Cl4 N12 -","4","2","FJ2183","Rominger, Frank; Malathi, Mahalingam; Mohan, Palathurai Subramaniam; Ramamurthi Dondeti, Tanuja; Hashmi, A. Stephen K.","3-(1<i>H</i>-Benzimidazol-2-yl)-2-chloro-8-methylquinoline","Acta Crystallographica Section E","2009","65","2","o400","","10.1107/S1600536809002827","","","0.71073","MoKα","","0.0444","0.0422","","","0.0985","0.0998","","","","","","1.124","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223653","11.9003","0.0002","12.9991","0.0002","15.2641","0.0003","90","","110.207","0.002","90","","2215.92","0.07","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>-(3,4-Dimethylphenyl)maleamic acid","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C96 H104 N8 O24 -","8","4","BT5110","Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Shakuntala, K.; Fuess, Hartmut","<i>N</i>-(3,4-Dimethylphenyl)maleamic acid","Acta Crystallographica Section E","2009","65","11","o2874","","10.1107/S1600536809043682","","","0.71073","MoKα","","0.0567","0.0444","","","0.1283","0.1335","","","","","","1.034","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223845","11.853","0.003","12.633","0.002","15.333","0.003","90","","98.93","0.03","90","","2268.1","0.8","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(Propane-1,3-diammonium) bis(4-hydroxypyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zinc(II) 3.5-hydrate","","- C17 H25 N4 O13.5 Zn -","- C17 H25 N4 O13.5 Zn -","- C68 H100 N16 O54 Zn4 -","4","2","HY2228","Ghadermazi, Mohammad; Manteghi, Faranak; Aghabozorg, Hossein","(Propane-1,3-diammonium) bis(4-hydroxypyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zinc(II) 3.5-hydrate","Acta Crystallographica Section E","2009","65","11","m1374","m1375","10.1107/S1600536809041634","","","0.71073","MoKα","","0.0542","0.0385","","","0.0759","0.0801","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224033","8.5345","0.0001","12.1579","0.0002","7.7482","0.0001","90","","100.595","0.001","90","","790.259","0.019","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","Diammonium 1,1',3,3'-tetramethyl-2,2',4,4',6,6'-hexaoxoperhydro- 5,5'-bipyrimidine-5,5'-diide monohydrate","","- C12 H22 N6 O7 -","- C12 H22 N6 O7 -","- C24 H44 N12 O14 -","2","1","TK2548","Fun, Hoong-Kun; Goh, Jia Hao; Reddy, B. Palakshi; Vijayakumar, V.; Sarveswari, S.","Diammonium 1,1',3,3'-tetramethyl-2,2',4,4',6,6'-hexaoxoperhydro-5,5'-bipyrimidine-5,5'-diide monohydrate","Acta Crystallographica Section E","2009","65","11","o2655","o2656","10.1107/S1600536809039968","","","0.71073","MoKα","","0.0316","0.0294","","","0.0808","0.083","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224035","5.944","0.001","3.921","0.0019","20.39","0.002","90","","101.377","0.015","90","","465.9","0.2","290","2","290","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-Chloro-6-methylquinoline-3-carbaldehyde","","- C11 H8 Cl N O -","- C11 H8 Cl N O -","- C22 H16 Cl2 N2 O2 -","2","1","TK2550","Khan, F. Nawaz; Subashini, R.; Roopan, S. Mohana; Hathwar, Venkatesha R.; Ng, Seik Weng","2-Chloro-6-methylquinoline-3-carbaldehyde","Acta Crystallographica Section E","2009","65","11","o2686","","10.1107/S1600536809040653","","","0.71073","MoKα","","0.04","0.034","","","0.087","0.089","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224208","12.0392","0.0014","8.0544","0.0005","7.8472","0.0006","90","","98.091","0.01","90","","753.36","0.12","295","2","295","1","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>E</i>)-3-(4-Chlorophenyl)-1-(1-naphthyl)prop-2-en-1-one","","- C19 H13 Cl O -","- C19 H13 Cl O -","- C38 H26 Cl2 O2 -","2","1","FK2008","Dutkiewicz, Grzegorz; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.; Kubicki, Maciej","(<i>E</i>)-3-(4-Chlorophenyl)-1-(1-naphthyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","12","o3255","o3256","10.1107/S1600536809050508","","","0.71073","MoKα","","0.0478","0.0348","","","0.0788","0.0832","","","","","","0.957","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224873","13.1806","0.0007","7.1785","0.0005","6.4297","0.0003","90","","97.967","0.004","90","","602.49","0.06","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","(<i>E</i>)-2-[(4-Fluorophenyl)iminomethyl]-5-methoxyphenol","","- C14 H12 F N O2 -","- C14 H12 F N O2 -","- C28 H24 F2 N2 O4 -","2","1","BT5163","Albayrak, Çiğdem; Özek, Arzu; Koşar, Başak; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-2-[(4-Fluorophenyl)iminomethyl]-5-methoxyphenol","Acta Crystallographica Section E","2010","66","2","o315","","10.1107/S1600536810000474","","","0.71073","MoKα","","0.038","0.0349","","","0.1017","0.1037","","","","","","1.085","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224912","10.5267","0.0002","5.0187","0.0001","12.2436","0.0003","90","","92.194","0.001","90","","646.36","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","2-Amino-4-methylpyridinium 4-nitrobenzoate","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C26 H26 N6 O8 -","2","1","CI5013","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-4-methylpyridinium 4-nitrobenzoate","Acta Crystallographica Section E","2010","66","2","o335","","10.1107/S1600536810000693","","","0.71073","MoKα","","0.0583","0.0468","","","0.1171","0.1244","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225377","13.684","0.012","4.025","0.004","12.706","0.011","90","","114.94","0.02","90","","634.6","1","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","2-Amino-5-methylpyridinium 4-nitrobenzoate","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C26 H26 N6 O8 -","2","1","SJ2727","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-5-methylpyridinium 4-nitrobenzoate","Acta Crystallographica Section E","2010","66","3","o621","","10.1107/S1600536810005301","","","0.71073","MoKα","","0.082","0.0446","","","0.0955","0.1157","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225433","5.0377","0.0001","11.2923","0.0002","17.5386","0.0003","90","","90.001","0.001","90","","997.72","0.03","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","2-Amino-5-chloropyridinium trifluoroacetate","","- C7 H6 Cl F3 N2 O2 -","- C7 H6 Cl F3 N2 O2 -","- C28 H24 Cl4 F12 N8 O8 -","4","2","CI5043","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-5-chloropyridinium trifluoroacetate","Acta Crystallographica Section E","2010","66","4","o783","o784","10.1107/S1600536810008196","","","0.71073","MoKα","","0.0558","0.036","","","0.0834","0.0939","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225783","4.655","0.002","15.02","0.007","10.005","0.005","90","","97.954","0.007","90","","692.8","0.6","113","2","113","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1-Benzoyl-4-(2-nitrophenyl)semicarbazide","","- C14 H12 N4 O4 -","- C14 H12 N4 O4 -","- C28 H24 N8 O8 -","2","1","BT5244","Sun, Ting; Li, Gong-Chun; Li, Jing; Yang, Feng-Ling","1-Benzoyl-4-(2-nitrophenyl)semicarbazide","Acta Crystallographica Section E","2010","66","5","o1113","","10.1107/S1600536810013048","","","0.71073","MoKα","","0.0342","0.028","","","0.0568","0.0587","","","","","","0.962","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226175","10.103","0.0015","8.0706","0.0008","7.8911","0.001","90","","104.282","0.014","90","","623.53","0.14","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>R</i>,<i>S</i>)-3-Carboxy-2-(isoquinolin-2-ium-2-yl)propanoate monohydrate","","- C13 H13 N O5 -","- C13 H13 N O5 -","- C26 H26 N2 O10 -","2","1","IM2195","Stilinović, Vladimir; Frkanec, Leo; Kaitner, Branko","(<i>R</i>,<i>S</i>)-3-Carboxy-2-(isoquinolinium-2-yl)propanoate monohydrate","Acta Crystallographica Section E","2010","66","6","o1427","","10.1107/S1600536810018428","","","0.71073","MoKα","","0.117","0.0755","","","","0.2217","","","","","","1.018","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226187","8.0158","0.0006","10.823","0.0009","8.1219","0.0006","90","","112.563","0.004","90","","650.68","0.09","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","3-(4-Methoxybenzyl)-1-benzothiophene","","- C16 H14 O S -","- C16 H14 O S -","- C32 H28 O2 S2 -","2","1","IS2551","Gunasekaran, B.; Dhayalan, V.; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Manivannan, V.","3-(4-Methoxybenzyl)-1-benzothiophene","Acta Crystallographica Section E","2010","66","6","o1449","","10.1107/S1600536810018866","","","0.71073","MoKα","","0.0691","0.0656","","","0.17","0.1755","","","","","","1.064","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226452","9.9012","0.0002","4.7821","0.0001","12.3369","0.0004","90","","97.919","0.001","90","","578.56","0.03","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-Hydroxy-5-nitro-<i>N</i>-phenylbenzamide","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C26 H20 N4 O8 -","2","1","GK2288","Raza, Abdul Rauf; Nisar, Bushra; Tahir, M. Nawaz","2-Hydroxy-5-nitro-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2010","66","7","o1852","","10.1107/S1600536810024621","","","0.71073","MoKα","","0.0323","0.0287","","","0.0692","0.0714","","","","","","1.063","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226726","19.7038","0.0003","12.2884","0.0002","15.4477","0.0003","90","","98.708","0.001","90","","3697.21","0.11","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Bis(μ-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aqua(4-methylbenzoato- κ^2^<i>O</i>,O')zinc(II)]‒bis(μ-4-methylbenzoato- κ^2^<i>O</i>:<i>O</i>')bis[(4-methylbenzoato-κ<i>O</i>)(nicotinamide- κ<i>N</i>)zinc(II)]‒water (1/1/2)","","- C76 H76 N4 O22 Zn4 -","- C76 H76 N4 O22 Zn4 -","- C152 H152 N8 O44 Zn8 -","2","1","XU2762","Hökelek, Tuncer; Ermiş, Emel; Tercan, Barış; Çimen, Efdal; Necefoğlu, Hacali","Bis(μ-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aqua(4-methylbenzoato-κ^2^<i>O</i>,O')zinc(II)]‒bis(μ-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(4-methylbenzoato-κ<i>O</i>)(nicotinamide-κ<i>N</i>)zinc(II)]‒water (1/1/2)","Acta Crystallographica Section E","2010","66","7","m841","m842","10.1107/S1600536810022476","","","0.71073","MoKα","","0.0536","0.0396","","","0.0746","0.0803","","","","","","1.012","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226788","7.5842","0.0003","12.2937","0.0004","19.6023","0.0006","90","","96.827","0.002","90","","1814.72","0.11","100","","100","","","","","","","","","3","P 1 c 1","P -2yc","7","Brasilixanthone","5,13-dihydroxy-3,3,10,10-tetramethyl-3<i>H</i>- dipyrano[3,2-<i>a</i>:2',3'-<i>i</i>]xanthen-14(10<i>H</i>)-one","","- C23 H20 O6 -","- C23 H20 O6 -","- C92 H80 O24 -","4","2","BT5295","Chantrapromma, Suchada; Boonnak, Nawong; Fun, Hoong-Kun; Karalai, Chatchanok; Chantrapromma, Kan","Brasilixanthone","Acta Crystallographica Section E","2010","66","8","o2066","o2067","10.1107/S1600536810027285","","","0.71073","MoKα","","0.1162","0.1026","","","0.2548","0.2702","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227187","10.4966","0.001","4.8677","0.0004","26.3","0.002","90","","94.941","0.004","90","","1338.8","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","5-[(<i>E</i>)-(2,6-Dichlorobenzylidene)amino]-2-hydroxybenzoic acid","","- C14 H9 Cl2 N O3 -","- C14 H9 Cl2 N O3 -","- C56 H36 Cl8 N4 O12 -","4","2","BQ2240","Tahir, M. Nawaz; Shad, Hazoor Ahmad; Khan, Muhammad Naeem; Tariq, Muhammad Ilyas","5-[(<i>E</i>)-(2,6-Dichlorobenzylidene)amino]-2-hydroxybenzoic acid","Acta Crystallographica Section E","2010","66","11","o2923","","10.1107/S160053681004136X","","","0.71073","MoKα","","0.1312","0.0586","","","0.1216","0.1462","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227564","8.9566","0.0006","21.021","0.0013","10.3974","0.0007","90","","110.567","0.001","90","","1832.8","0.2","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","<i>n</i>-Butyldichlorido(2-{(1<i>E</i>)-1-[2-(pyridin-2-yl)hydrazin-1- ylidene]ethyl}phenolato)tin(IV)","","- C17 H21 Cl2 N3 O Sn -","- C17 H21 Cl2 N3 O Sn -","- C68 H84 Cl8 N12 O4 Sn4 -","4","2","HB5679","Affan, Md. Abu; Chee, Dayang N. A.; Ahmad, Fasihuddin B.; Ng, Seik Weng; Tiekink, Edward R. T.","<i>n</i>-Butyldichlorido(2-{(1<i>E</i>)-1-[2-(pyridin-2-yl)hydrazin-1-ylidene]ethyl}phenolato)tin(IV)","Acta Crystallographica Section E","2010","66","11","m1412","m1413","10.1107/S1600536810040572","","","0.71073","MoKα","","0.049","0.042","","","0.1","0.108","","","","","","1.02","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228558","12.891","0.003","13.743","0.003","16.717","0.003","90","","113.35","0.014","90","","2719","1","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","Tetraethyl 1,1'-(ethane-1,2-diyl)bis(2,5-dimethyl-1<i>H</i>-pyrrole-3,4-dicarboxylate)","","- C26 H36 N2 O8 -","- C26 H36 N2 O8 -","- C104 H144 N8 O32 -","4","2","SJ5043","Wang, Shi-Fan; Li, Chao; Chen, Shuai","Tetraethyl 1,1'-(ethane-1,2-diyl)bis(2,5-dimethyl-1<i>H</i>-pyrrole-3,4-dicarboxylate)","Acta Crystallographica Section E","2010","66","12","o3047","","10.1107/S1600536810044119","","","0.71073","MoKα","","0.1308","0.0622","","","0.1565","0.1937","","","","","","0.994","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229011","4.1443","0.0011","6.6561","0.0019","15.706","0.004","90","","101.023","0.007","90","","425.3","0.2","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-(Imidazol-1-yl)benzoic acid","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C20 H16 N4 O4 -","2","1","CV5031","Zheng, Zheng; Geng, Wen-Qian; Wu, Zhi-Chao; Zhou, Hong-Ping","4-(Imidazol-1-yl)benzoic acid","Acta Crystallographica Section E","2011","67","2","o524","","10.1107/S1600536811003345","","","0.71073","MoKα","","0.0538","0.0395","","","0.0923","0.104","","","","","","0.712","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229160","17.3718","0.0019","5.9561","0.0008","27.727","0.003","90","","114.762","0.005","90","","2605.1","0.5","100","","100","","","","","","","","","3","P 1 c 1","P -2yc","7","","Tris(biphenyl-4-yl)arsane","","- C36 H27 As -","- C36 H27 As -","- C144 H108 As4 -","4","2","NG5092","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Yeap, Chin Sing; Fun, Hoong-Kun","Tris(biphenyl-4-yl)arsane","Acta Crystallographica Section E","2011","67","2","o457","o458","10.1107/S160053681100211X","","","0.71073","MoKα","","0.0834","0.0445","","","0.0794","0.0926","","","","","","1.005","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229954","10.617","0.003","4.877","0.002","13.632","0.003","90","","92.409","0.002","90","","705.2","0.4","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-Methoxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C32 H32 N4 O6 -","2","1","CV5072","Bi, Ye","4-Methoxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","5","o1182","","10.1107/S1600536811014012","","","0.71073","MoKα","","0.0826","0.0592","","","0.1317","0.1378","","","","","","1.301","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2230103","12.0201","0.0003","20.7463","0.0005","17.6353","0.0003","90","","132.806","0.001","90","","3226.46","0.14","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Poly[[μ-aqua-bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-3- hydroxyadamantane-1-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis(3- hydroxyadamantane-1-carboxylato-κ<i>O</i>)dicobalt(II)] heptahydrate]","","- C64 H92 Co2 N4 O20 -","- C64 H92 Co2 N4 O20 -","- C128 H184 Co4 N8 O40 -","2","1","OM2417","Shen, Jin-Bei; Wu, Xiao-Yong; Chen, Xiao-Ju; Zhao, Guo-Liang","Poly[[μ-aqua-bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-3-hydroxyadamantane-1-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis(3-hydroxyadamantane-1-carboxylato-κ<i>O</i>)dicobalt(II)] heptahydrate]","Acta Crystallographica Section E","2011","67","5","m558","m559","10.1107/S1600536811012475","","","0.71073","MoKα","","0.0426","0.0345","","","0.0779","0.0825","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230846","11.0483","0.0003","5.9079","0.0001","33.855","0.0008","90","","108.802","0.001","90","","2091.87","0.08","100","0.1","100","1","","","","","","","","4","P 1 c 1","P -2yc","7","","2-(4-Bromophenyl)-2-oxoethyl 4-bromobenzoate","","- C15 H10 Br2 O3 -","- C15 H10 Br2 O3 -","- C90 H60 Br12 O18 -","6","3","RZ2603","Fun, Hoong-Kun; Arshad, Suhana; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Bromophenyl)-2-oxoethyl 4-bromobenzoate","Acta Crystallographica Section E","2011","67","7","o1582","o1583","10.1107/S1600536811020654","","","0.71073","MoKα","","0.0759","0.0473","","","0.119","0.1395","","","","","","0.983","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230894","11.9779","0.0003","8.0267","0.0002","9.3835","0.0002","90","","101.391","0.002","90","","884.39","0.04","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-(3-Hydroxybenzylamino)acetic acid","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","2","VM2101","Zhi, Li-Hua; Wu, Wei-Na","2-(3-Hydroxybenzylamino)acetic acid","Acta Crystallographica Section E","2011","67","7","o1791","","10.1107/S1600536811024226","","","0.71073","MoKα","","0.0475","0.0431","","","0.1288","0.1337","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231443","8.9721","0.0002","10.4086","0.0002","12.5189","0.0003","90","","101.646","0.002","90","","1145.03","0.04","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","Tramadol hydrochloride-Benzoic acid (1/1)","[2-hydroxy-2-(3-methoxyphenyl)cyclohexylmethyl]dimethylazanium chloride; benzoic acid","","- C23 H32 Cl N O4 -","- C23 H32 Cl N O4 -","- C46 H64 Cl2 N2 O8 -","2","1","BV2189","Siddaraju, B. P.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Raju, C. R.","Tramadol hydrochloride‒benzoic acid (1/1)","Acta Crystallographica Section E","2011","67","9","o2351","","10.1107/S1600536811032181","","","0.71073","MoKα","","0.0308","0.0285","","","0.0751","0.0771","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231494","9.599","0.0008","8.3294","0.0007","14.7444","0.0012","90","","107.684","0.001","90","","1123.17","0.16","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","(<i>E</i>)-3-[3,4-Bis(methoxymethoxy)phenyl]-1-(7-hydroxy-5-methoxy- 2,2-dimethylchroman-8-yl)prop-2-en-1-one","","- C25 H30 O8 -","- C25 H30 O8 -","- C50 H60 O16 -","2","1","HB6345","Hashim, Nur Athirah; Ahmad, Farediah; Basar, Norazah; Awang, Khalijah; Ng, Seik Weng","(<i>E</i>)-3-[3,4-Bis(methoxymethoxy)phenyl]-1-(7-hydroxy-5-methoxy-2,2-dimethylchroman-8-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2300","","10.1107/S160053681103131X","","","0.71073","MoKα","","0.0351","0.0323","","","0.0803","0.0824","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231599","6.1933","0.0007","4.7441","0.0005","21.8572","0.0019","90","","99.108","0.003","90","","634.1","0.11","297","2","297","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>E</i>)-2-(4-Bromobenzylidene)indan-1-one","","- C16 H11 Br O -","- C16 H11 Br O -","- C32 H22 Br2 O2 -","2","1","LH5300","Ali, Mohamed Ashraf; Ismail, Rusli; Choon, Tan Soo; Loh, Wan-Sin; Fun, Hoong-Kun","(<i>E</i>)-2-(4-Bromobenzylidene)indan-1-one","Acta Crystallographica Section E","2011","67","9","o2306","o2307","10.1107/S1600536811031746","","","0.71073","MoKα","","0.0395","0.0265","","","0.0538","0.0574","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231780","9.992","0.001","11.2591","0.0011","20.883","0.002","90","","98.658","0.001","90","","2322.6","0.4","298","2","298","2","","","","","","","","8","P 1 c 1","P -2yc","7","","[6-(4-Bromophenyl)-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>']bis(triphenylphosphane-κ<i>P</i>)copper(I) tetrafluoridoborate","","- C52 H41 B Br Cu F4 N2 P2 -","- C52 H41 B Br Cu F4 N2 P2 -","- C104 H82 B2 Br2 Cu2 F8 N4 P4 -","2","1","ZQ2111","Lin, Yan-Ru; Huang, Jun-Sheng; Zhong, Ming-Hua","[6-(4-Bromophenyl)-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>']bis(triphenylphosphane-κ<i>P</i>)copper(I) tetrafluoridoborate","Acta Crystallographica Section E","2011","67","9","m1187","","10.1107/S1600536811029515","","","0.71073","MoKα","","0.0906","0.0556","","","0.1256","0.142","","","","","","0.949","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232095","24.943","0.003","14.4343","0.0018","29.688","0.004","90","","101.19","0.003","90","","10486","2","90","2","90","2","","","","","","","","5","P 1 c 1","P -2yc","7","(<i>N</i>,<i>N</i>'-<i>o</i>-Phenylenebis(pyridine-2-carboxamidato)) (dimethylaminopyridine) (nitrosyl)manganese(II) heptakis ethanol solvate hydrate","octakis{[4-(dimethylamino)pyridine](nitrosyl)[<i>N</i>,<i>N</i>'-(<i>o</i>- phenylene)bis(pyridine-2-carboxamidato)]manganese(II)} ethanol heptasolvate 3.5-hydrate","","- C26.75 H28.12 Mn N7 O4.31 -","- C26.75 H27.25 Mn N7 O4.3125 -","- C428 H436 Mn16 N112 O69 -","16","8","WM2529","Olmstead, Marilyn M.; Eroy-Reveles, A. Alegra; Mascharak, Pradip K.","[Mn(bpb)(DMAP)(NO)], an {Mn‒NO}^6^ nitrosyl with <i>Z</i>' = 8","Acta Crystallographica Section E","2011","67","10","m1451","m1452","10.1107/S1600536811038669","","","0.71073","MoKα","","0.2135","0.0679","","","0.1206","0.1514","","","","","","0.637","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232120","9.3665","0.0017","10.2069","0.0012","9.7774","0.0016","90","","114.42","0.02","90","","851.1","0.3","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","<i>N</i>-(3-Chloro-4-fluorophenyl)-2,2-diphenylacetamide","","- C20 H15 Cl F N O -","- C20 H15 Cl F N O -","- C40 H30 Cl2 F2 N2 O2 -","2","1","YA2145","Praveen, A. S.; Jasinski, Jerry P.; Golen, James A.; Narayana, B.; Yathirajan, H. S.","<i>N</i>-(3-Chloro-4-fluorophenyl)-2,2-diphenylacetamide","Acta Crystallographica Section E","2011","67","10","o2604","","10.1107/S1600536811036075","","","0.71073","MoKα","","0.05","0.042","","","0.099","0.109","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232607","5.8092","0.0004","4.9253","0.0002","23.1887","0.0012","90","","94.229","0.005","90","","661.67","0.06","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>-(2,3-Dimethylphenyl)-2-methylbenzamide","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","BT5725","Rodrigues, Vinola Z.; Gowda, B. Thimme; Sivý, Július; Vrábel, Viktor; Kožíšek, Jozef","<i>N</i>-(2,3-Dimethylphenyl)-2-methylbenzamide","Acta Crystallographica Section E","2011","67","12","o3496","","10.1107/S1600536811050732","","","0.71073","MoKα","","0.0735","0.0675","","","0.2037","0.2078","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233247","9.154","0.002","7.994","0.0019","10.59","0.002","90","","106.04","0.003","90","","744.8","0.3","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","<i>catena</i>-Poly[[bis(acetato-κ<i>O</i>)aquacopper(II)]-μ- 5-(pyridin-3-yl)pyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^5^]","","- C13 H15 Cu N3 O5 -","- C13 H15 Cu N3 O5 -","- C26 H30 Cu2 N6 O10 -","2","1","LX2203","Sun, Ju-Feng; Hou, Gui-Ge; Dai, Xian-Ping","<i>catena</i>-Poly[[bis(acetato-κ<i>O</i>)aquacopper(II)]-μ-5-(pyridin-3-yl)pyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section E","2012","68","1","m91","","10.1107/S160053681105481X","","","0.71073","MoKα","","0.0521","0.0504","","","0.1165","0.1177","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233934","4.9427","0.0003","11.501","0.0006","14.0006","0.0008","90","","90.271","0.006","90","","795.87","0.08","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","(7-Chloro-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","","- C16 H16 Cl N O2 S2 -","- C16 H16 Cl N O2 S2 -","- C32 H32 Cl2 N2 O4 S4 -","2","1","LH5420","Kumar, K. Mahesh; Kour, Dalbir; Kapoor, Kamini; Mahabaleshwaraiah, N. M.; Kotresh, O.; Gupta, Vivek K.; Kant, Rajni","(7-Chloro-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","Acta Crystallographica Section E","2012","68","3","o878","o879","10.1107/S1600536812007933","","","0.71073","MoKα","","0.0372","0.0346","","","0.0795","0.082","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233969","5.7174","0.0011","8.0934","0.001","16.972","0.004","90","","99.69","0.018","90","","774.1","0.3","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","1,3,5-Tris(pyridin-3-yl)-2,4-diazapenta-1,4-diene","","- C18 H15 N5 -","- C18 H15 N5 -","- C36 H30 N10 -","2","1","RK2325","Quiroa-Montalván, Claudia M.; Aguirre, Gerardo; Parra-Hake, Miguel","1,3,5-Tris(pyridin-3-yl)-2,4-diazapenta-1,4-diene","Acta Crystallographica Section E","2012","68","3","o746","","10.1107/S1600536812005909","","","0.71073","MoKα","","0.216","0.0695","","","0.0977","0.1345","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234018","21.261","0.004","7.3103","0.0015","6.1322","0.0012","90","","93.59","0.03","90","","951.2","0.3","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","4-(<i>p</i>-glycidyloxyphenoxy)-4'-glycidyloxybiphenyl","2-(4-{4-[4-(Oxiran-2-ylmethoxy)phenoxy]phenyl}phenoxymethyl)oxirane","","- C24 H22 O5 -","- C24 H22 O5 -","- C48 H44 O10 -","2","1","TK5057","Song, Tao; Liu, Jin-gang; Yang, Shi-yong","2-(4-{4-[4-(Oxiran-2-ylmethoxy)phenoxy]phenyl}phenoxymethyl)oxirane","Acta Crystallographica Section E","2012","68","3","o719","","10.1107/S1600536812005740","","","0.71073","MoKα","","0.0956","0.0849","","","0.1658","0.1718","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234078","5.4619","0.0012","6.8337","0.0015","12.546","0.003","90","","92.047","0.003","90","","467.98","0.18","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","<i>N</i>-2-hydroxyethyl unsaturated norcantharidin","<i>exo</i>,<i>exo</i>-4-(2-Hydroxyethyl)-10-oxa-4- azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","ZS2178","Tan, Xue-Jie; Li, Chen-Guang; Xing, Dian-Xiang; Liu, Yun","<i>exo</i>,<i>exo</i>-4-(2-Hydroxyethyl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","Acta Crystallographica Section E","2012","68","3","o866","","10.1107/S160053681200788X","","","0.71073","MoKα","","0.0402","0.0399","","","0.1014","0.1017","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234149","7.4103","0.0002","15.1916","0.0005","11.6408","0.0004","90","","99.443","0.003","90","","1292.7","0.07","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","3-(4-Chloroanilino)-5,5-dimethylcyclohex-2-en-1-one","","- C14 H16 Cl N O -","- C14 H16 Cl N O -","- C56 H64 Cl4 N4 O4 -","4","2","CV5258","Anthal, Sumati; Sambyal, Ambika; Bamzai, R. K.; Kant, Rajni; Gupta, Vivek K.","3-(4-Chloroanilino)-5,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o1063","","10.1107/S1600536812010495","","","0.71073","MoKα","","0.0661","0.0429","","","0.0889","0.1001","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234299","11.9398","0.0012","4.668","0.0005","14.7818","0.0018","90","","101.961","0.011","90","","805.98","0.16","123","1","123","1","","","","","","","","4","P 1 c 1","P -2yc","7","","2-[(<i>E</i>)-(1,10-Phenanthrolin-5-yl)iminomethyl]phenol methanol monosolvate","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C40 H34 N6 O4 -","2","1","JJ2127","Öztürk Yíldírím, Sema; Demirhan, Nebahat; Elmalí, Fikriye; Butcher, Ray J.","2-[(<i>E</i>)-(1,10-Phenanthrolin-5-yl)iminomethyl]phenol methanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1173","o1174","10.1107/S1600536812011890","","","1.54184","CuKα","","0.0407","0.0391","","","0.1069","0.11","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234398","10.2655","0.0006","4.6738","0.0002","12.3561","0.0008","90","","112.331","0.003","90","","548.37","0.05","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-Fluoro-2-[(3-methylphenyl)iminomethyl]phenol","","- C14 H12 F N O -","- C14 H12 F N O -","- C28 H24 F2 N2 O2 -","2","1","SJ5208","Brink, Alice; Visser, Hendrik G.; Roodt, Andreas","4-Fluoro-2-[(3-methylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","4","o1071","","10.1107/S1600536812010513","","","0.71073","MoKα","","","0.0343","","","","0.0954","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234595","4.6275","0.0007","6.5332","0.0011","31.856","0.005","90","","92.417","0.004","90","","962.2","0.3","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>'-[(<i>E</i>)-4-Benzyloxy-2-hydroxybenzylidene]-4-nitrobenzohydrazide monohydrate","","- C21 H19 N3 O6 -","- C21 H19 N3 O6 -","- C42 H38 N6 O12 -","2","1","FJ2537","Joseph, Bibitha; Sithambaresan, M.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-4-Benzyloxy-2-hydroxybenzylidene]-4-nitrobenzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","5","o1421","o1422","10.1107/S1600536812015401","","","0.71073","MoKα","","0.0317","0.0304","","","0.0857","0.0875","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235031","4.0047","0.001","13.424","0.003","10.938","0.003","90","","99.65","0.005","90","","579.7","0.3","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","6-(4-Bromophenyl)-3-methyl-7<i>H</i>-1,2,4- triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","","- C11 H9 Br N4 S -","- C11 H9 Br N4 S -","- C22 H18 Br2 N8 S2 -","2","1","HB6774","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Attia, Mohamed I.","6-(4-Bromophenyl)-3-methyl-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2012","68","6","o1681","","10.1107/S1600536812019885","","","0.71073","MoKα","","0.0626","0.0568","","","0.147","0.1521","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235253","4.7924","0.0006","13.7083","0.0019","11.8293","0.0015","90","","101.538","0.012","90","","761.43","0.17","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-[(Cyclohex-3-en-1-ylmethoxy)methyl]-6-phenyl-1,2,4-triazine- 3,5(2<i>H</i>,4<i>H</i>)-dione","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C34 H38 N6 O6 -","2","1","SU2425","El-Brollosy, Nasser R.; Attia, Mohamed I.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[(Cyclohex-3-en-1-ylmethoxy)methyl]-6-phenyl-1,2,4-triazine-3,5(2<i>H</i>,4<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","6","o1776","o1777","10.1107/S1600536812021198","","","0.71073","MoKα","","0.112","0.0612","","","0.1058","0.1328","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235341","6.3526","0.0007","15.7199","0.0014","9.8235","0.0009","90","","101.235","0.001","90","","962.2","0.16","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","Aqua[1-(pyridin-2-yl)ethanone oximato][1-(pyridin-2-yl)ethanone oxime]copper(II) perchlorate monohydrate","","- C14 H19 Cl Cu N4 O8 -","- C14 H19 Cl Cu N4 O8 -","- C28 H38 Cl2 Cu2 N8 O16 -","2","1","AA2060","Zhong, Baoyun; Li, Shengli; Chen, Guifang","Aqua[1-(pyridin-2-yl)ethanone oximato][1-(2-pyridin-2-yl)ethanone oxime]copper(II) perchlorate monohydrate","Acta Crystallographica Section E","2012","68","7","m874","","10.1107/S1600536812023872","","","0.71073","MoKα","","0.0423","0.0367","","","0.0918","0.0956","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235416","12.9385","0.0004","6.7123","0.0002","13.2959","0.0004","90","","138.664","0.002","90","","762.66","0.05","173","2","173","2","","","","","","","","8","P 1 c 1","P -2yc","7","","Dicarbonyl(η^5^-cyclopentadienyl)(2,3-dibromopropanamine- κ<i>N</i>)iron(II) tetrafluoridoborate","","- C10 H12 B Br2 F4 Fe N O2 -","- C10 H12 B Br2 F4 Fe N O2 -","- C20 H24 B2 Br4 F8 Fe2 N2 O4 -","2","1","FJ2567","M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Fernandes, Manuel A.","Dicarbonyl(η^5^-cyclopentadienyl)(2,3-dibromopropanamine-κ<i>N</i>)iron(II) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","7","m932","","10.1107/S1600536812025925","","","0.71073","MoKα","","0.03","0.0274","","","0.0721","0.0755","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235448","10.9941","0.0003","11.7602","0.0003","24.01","0.0005","90","","98.9169","0.0012","90","","3066.8","0.13","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","Tetraaquabis(thiourea-κ<i>S</i>)cadmium(II) triaquatris(thiourea-κ<i>S</i>)cadmium(II) disulfate","","- C5 H34 Cd2 N10 O15 S7 -","- C5 H34 Cd2 N10 O15 S7 -","- C20 H136 Cd8 N40 O60 S28 -","4","2","HB6807","Parvez, Masood; Jalilehvand, Farideh; Amini, Zahra","Tetraaquabis(thiourea-κ<i>S</i>)cadmium(II) triaquatris(thiourea-κ<i>S</i>)cadmium(II) disulfate","Acta Crystallographica Section E","2012","68","7","m949","m950","10.1107/S1600536812026682","","","0.71073","MoKα","","0.0565","0.0469","","","0.091","0.0992","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235611","18.6118","0.0014","15.051","0.0012","5.9227","0.0005","90","","90.0005","0.0015","90","","1659.1","0.2","100","1","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","(2<i>E</i>)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop- 2-en-1-one","","- C21 H18 O2 S -","- C21 H18 O2 S -","- C84 H72 O8 S4 -","4","2","RZ2777","Fun, Hoong-Kun; Chia, Tze Shyang; Padaki, Mahesh; Isloor, Arun M.; Ismail, A. F.","(2<i>E</i>)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","7","o2277","o2278","10.1107/S1600536812028930","","","0.71073","MoKα","","0.0588","0.0546","","","0.1322","0.136","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235653","9.0579","0.0001","12.5733","0.0001","16.4386","0.0002","90","","90.5917","0.0004","90","","1872.05","0.03","90","0.2","90","0.2","","","","","","","","7","P 1 c 1","P -2yc","7","","Bis[tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]sodium trifluoromethanesulfonate","","- C33 H44 F3 N12 Na O3 S -","- C33 H44 F3 N12 Na O3 S -","- C66 H88 F6 N24 Na2 O6 S2 -","2","1","TK5119","Lyubartseva, Ganna; Parkin, Sean; Mallik, Uma Prasad","Bis[tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]sodium trifluoromethanesulfonate","Acta Crystallographica Section E","2012","68","7","m973","","10.1107/S1600536812028413","","","0.71073","MoKα","","0.0527","0.0412","","","0.1054","0.1121","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235905","10.7244","0.0005","4.6021","0.0002","11.128","0.0005","90","","100.367","0.002","90","","540.25","0.04","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>-[(<i>E</i>)-Thiophen-2-ylmethylidene]-1,3-benzothiazol-2-amine","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C24 H16 N4 S4 -","2","1","LH5495","Booysen, Irvin N.; Ismail, Muhammed B.; Akerman, Matthew P.","<i>N</i>-[(<i>E</i>)-Thiophen-2-ylmethylidene]-1,3-benzothiazol-2-amine","Acta Crystallographica Section E","2012","68","8","o2489","","10.1107/S1600536812030498","","","0.71073","MoKα","","0.0375","0.0333","","","0.082","0.0847","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236082","9.8768","0.0003","9.4403","0.0003","12.5157","0.0003","90","","90.24","0.002","90","","1166.95","0.06","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate","","- C8 H7 Cl3 N2 O3 -","- C8 H7 Cl3 N2 O3 -","- C32 H28 Cl12 N8 O12 -","4","2","BQ2374","Perdih, Franc","4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate","Acta Crystallographica Section E","2012","68","9","o2733","","10.1107/S1600536812035507","","","0.71073","MoKα","","0.0781","0.0686","","","","0.1987","","","","","","1.036","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2236163","8.5681","0.0006","8.0393","0.0005","10.3808","0.0008","90","","103.51","0.007","90","","695.26","0.09","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","<i>N</i>-Ethyl-2-[1-(2-hydroxy-6- methoxyphenyl)ethylidene]hydrazinecarbothioamide","","- C12 H17 N3 O2 S -","- C12 H17 N3 O2 S -","- C24 H34 N6 O4 S2 -","2","1","CV5339","Anderson, Brian J.; Kennedy, Christopher J.; Jasinski, Jerry P.","<i>N</i>-Ethyl-2-[1-(2-hydroxy-6-methoxyphenyl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","10","o2982","","10.1107/S1600536812039323","","","0.7107","MoKα","","0.0594","0.0467","","","0.1149","0.1279","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237009","10.4793","0.0013","8.7655","0.0011","11.4536","0.0014","90","","107.489","0.002","90","","1003.5","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Tris(5-amino-1<i>H</i>-1,2,4-triazol-4-ium) dihydrogenphosphate hydrogenphosphate trihydrate","","- C6 H24 N12 O11 P2 -","- C6 H24 N12 O11 P2 -","- C12 H48 N24 O22 P4 -","2","1","RU2044","Mrad, Mohamed Lahbib; Zeller, Matthias; Hernandez, Kristen J.; Rzaigui, Mohamed; Ben Nasr, Cherif","Tris(5-amino-1<i>H</i>-1,2,4-triazol-4-ium) dihydrogenphosphate hydrogenphosphate trihydrate","Acta Crystallographica Section E","2012","68","12","o3257","o3258","10.1107/S1600536812044492","","","0.71073","MoKα","","0.0229","0.0225","","","0.0585","0.0588","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237299","8.6243","0.0009","7.3203","0.0006","10.1704","0.0009","90","","91.719","0.008","90","","641.79","0.1","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","(6<i>R</i>*,10<i>R</i>*)-Dimethyl 1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate","","- C12 H18 O6 -","- C12 H18 O6 -","- C24 H36 O12 -","2","1","DS2225","Jahangiri, Amita; Wendt, Ola F.; Strand, Daniel","(6<i>R</i>*,10<i>R</i>*)-Dimethyl 1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate","Acta Crystallographica Section E","2013","69","2","o265","","10.1107/S160053681300161X","","","0.71073","MoKα","","0.056","0.0471","","","0.136","0.1482","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237312","10.7824","0.0002","10.627","0.0002","11.2364","0.0002","90","","91.678","0.001","90","","1286.97","0.04","200","2","200","2","","","","","","","","5","P 1 c 1","P -2yc","7","Flunarizinium succinate","4-[Bis(4-fluorophenyl)methyl]-1-[(2<i>E</i>)-3-phenylprop-2-en-1- yl]piperazin-1-ium 3-carboxypropanoate","","- C30 H32 F2 N2 O4 -","- C30 H32 F2 N2 O4 -","- C60 H64 F4 N4 O8 -","2","1","GK2534","Kavitha, Channappa N.; Yathirajan, Hemmige S.; Narayana, Badiadka; Gerber, Thomas; van Brecht, Benjamin; Betz, Richard","4-[Bis(4-fluorophenyl)methyl]-1-[(2<i>E</i>)-3-phenylprop-2-en-1-yl]piperazin-1-ium 3-carboxypropanoate","Acta Crystallographica Section E","2013","69","2","o260","o261","10.1107/S1600536813000706","","","0.71073","MoKα","","0.0297","0.0288","","","0.0794","0.0805","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237421","8.9765","0.0013","7.6431","0.0008","9.3451","0.0014","90","","91.888","0.018","90","","640.8","0.15","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","dihydronium tetrachromate","Dihydronium tetrachromate(VI)","","- Cr4 H6 O15 -","- Cr4 O15 -","- Cr8 O30 -","2","1","WM2714","Kulikov, Vladislav; Meyer, Gerd","Dihydronium tetrachromate(VI), (H~3~O)~2~Cr~4~O~13~","Acta Crystallographica Section E","2013","69","2","i13","","10.1107/S1600536813001608","","","0.71073","MoKα","","0.0432","0.04","","","0.1072","0.11","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237435","11.3123","0.0012","4.7907","0.0004","15.1697","0.0016","90","","101.834","0.003","90","","804.63","0.14","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(1<i>E</i>,4<i>E</i>)-1,5-Bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one","","- C19 H12 F6 O -","- C19 H12 F6 O -","- C38 H24 F12 O2 -","2","1","ZL2522","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","(1<i>E</i>,4<i>E</i>)-1,5-Bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one","Acta Crystallographica Section E","2013","69","2","o177","","10.1107/S1600536812051586","","","0.71073","MoKα","","0.0589","0.0366","","","0.0821","0.0956","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237498","5.7563","0.0003","24.1214","0.0012","15.1827","0.0008","90","","90.948","0.005","90","","2107.83","0.19","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-phenyl-1,3-thiazole","","- C25 H20 F N3 S -","- C25 H20 F N3 S -","- C100 H80 F4 N12 S4 -","4","2","HG5292","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-phenyl-1,3-thiazole","Acta Crystallographica Section E","2013","69","3","o392","o393","10.1107/S1600536813004339","","","0.71073","MoKα","","0.0854","0.0477","","","0.0958","0.117","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237743","11.5837","0.0006","4.4677","0.0003","15.5521","0.0008","90","","103.31","0.006","90","","783.24","0.08","300","2","300","2","","","","","","","","3","P 1 c 1","P -2yc","7","5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavone","5,7-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4<i>H</i>-chromen-4-one","","- C18 H16 O8 -","- C18 H16 O8 -","- C36 H32 O16 -","2","1","ZP2001","Adizov, Shahobiddin M.; Mukhamathanova, Rimma F.; Turgunov, Kambarali K.; Sham'yanov, Ildar D.; Tashkhodjaev, Bakhodir","5,7-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2013","69","4","o578","","10.1107/S1600536813007381","","","1.54184","CuKα","","0.0486","0.0421","","","0.1159","0.1259","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2238443","8.738","0.0017","6.166","0.0012","28.67","0.006","90","","95.95","0.03","90","","1536.4","0.5","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-[4-(2-Chloroacetyl)phenyl]-2-methyl-1-(pyrrolidin-1-yl)propan-1-one","","- C16 H20 Cl N O2 -","- C16 H20 Cl N O2 -","- C64 H80 Cl4 N4 O8 -","4","2","VM2196","Ren, Dong-mei","2-[4-(2-Chloroacetyl)phenyl]-2-methyl-1-(pyrrolidin-1-yl)propan-1-one","Acta Crystallographica Section E","2013","69","8","o1326","","10.1107/S1600536813020175","","","0.71073","MoKα","","0.1212","0.0597","","","0.0572","0.0686","","","","","","0.922","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239563","11.0023","0.0003","10.6435","0.0003","11.3393","0.0003","90","","92.481","0.003","90","","1326.62","0.06","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","Flunarizinium isonicotinate","4-[Bis(4-fluorophenyl)methyl]-1-[(2<i>E</i>)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-4-carboxylate","","- C32 H31 F2 N3 O2 -","- C32 H31 F2 N3 O2 -","- C64 H62 F4 N6 O4 -","2","1","LH5702","Kavitha, Channappa N.; Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H. S.","Flunarizinium isonicotinate","Acta Crystallographica Section E","2014","70","6","o681","o682","10.1107/S1600536814010423","","","1.54184","CuKα","","0.0417","0.0399","","","0.1072","0.1098","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239775","3.911","0.0008","10.136","0.002","9.848","0.002","90","","98.71","0.03","90","","385.89","0.14","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Methyl 4-amino-2-chloropyrimidine-5-carboxylate","","- C6 H6 Cl N3 O2 -","- C6 H6 Cl N3 O2 -","- C12 H12 Cl2 N6 O4 -","2","1","","Wu, Ya-Ming","Methyl 4-amino-2-chloropyrimidine-5-carboxylate","Acta Crystallographica Section E","2014","70","8","o869","","10.1107/S1600536814016080","","","0.71073","MoKα","","0.0583","0.0461","","","0.1012","0.1086","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239894","4.8041","0.0007","10.8564","0.0015","10.3862","0.0015","90","","101.067","0.002","90","","531.62","0.13","294","2","294","2","","","","","","","","6","P 1 c 1","P -2yc","7","","4-Sulfamoylanilinium dihydrogen phosphate","","- C6 H11 N2 O6 P S -","- C6 H11 N2 O6 P S -","- C12 H22 N4 O12 P2 S2 -","2","1","HB7251","Muthuselvi, C.; Mala, N.; Srinivasan, N.; Pandiarajan, S.; Krishnakumar, R. V.","Crystal structure of 4-sulfamoylanilinium dihydrogen phosphate","Acta Crystallographica Section E","2014","70","9","o997","o998","10.1107/S1600536814017462","","","0.71073","MoKα","","0.0211","0.021","","","0.0553","0.0554","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240061","11.3395","0.0003","8.0093","0.0002","9.0439","0.0002","90","","108.8","0.001","90","","777.56","0.03","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","3-(4-Bromophenylsulfonyl)-2,5,6-trimethyl-1-benzofuran","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C34 H30 Br2 O6 S2 -","2","1","RN2128","Choi, Hong Dae; Lee, Uk","Crystal structure of 3-(4-bromophenylsulfonyl)-2,5,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","11","325","327","10.1107/S1600536814022119","","","0.71073","MoKα","","0.0275","0.0241","","","0.0547","0.0558","","","","","","0.999","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240153","11.2213","0.0006","14.6239","0.0007","14.1804","0.0008","90","","104.405","0.005","90","","2253.8","0.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","Bis-[1-(3-chlorophenyl)piperazinium]dipicrate picric acid","1-(3-Chlorophenyl)piperazin-1-ium picrate‒picric acid (2/1)","","- C38 H35 Cl2 N13 O21 -","- C38 H35 Cl2 N13 O21 -","- C76 H70 Cl4 N26 O42 -","2","1","BV2237","Kavitha, Channappa N.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H. S.","Crystal structure of 1-(3-chlorophenyl)piperazin-1-ium picrate‒picric acid (2/1)","Acta Crystallographica Section E","2014","70","11","o1210","o1211","10.1107/S1600536814023654","","","0.71073","MoKα","","0.0718","0.0537","","","0.1269","0.1394","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240404","7.597","0.0007","11.6665","0.0012","7.6754","0.0008","90","","114.2","0.003","90","","620.49","0.11","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-Aminobenzoic acid‒4-methylpyridine (1/1)","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","HB7348","Kumar, M. Krishna; Pandi, P.; Sudhahar, S.; Chakkaravarthi, G.; Kumar, R. Mohan","Crystal structure of 4-aminobenzoic acid‒4-methylpyridine (1/1)","Acta Crystallographica Section E","2015","71","2","o125","o126","10.1107/S2056989015000791","","","0.71073","MoKα","","0.0739","0.038","","","0.0873","0.1079","","","","","","1.032","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240972","4.9641","0.0002","11.4351","0.0003","14.0023","0.0004","90","","90.743","0.002","90","","794.77","0.04","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(7-Methyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C34 H38 N2 O4 S4 -","2","1","ZL2626","Roopashree, K. R.; Meenakshi, T. G.; Kumar, K. Mahesh; Kotresh, O.; Devarajegowda, H. C.","Crystal structure of (7-methyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","Acta Crystallographica Section E","2015","71","8","o606","o607","10.1107/S2056989015013699","","","0.71073","MoKα","","0.0272","0.0256","","","0.0605","0.0615","","","","","","1.04","","","","has coordinates,has Fobs","153029","2020-10-21","18:00:00",""
"2241511","9.0073","0.0002","12.3856","0.0002","7.5553","0.0001","90","","98.62","0.002","90","","833.35","0.03","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>Z</i>)-4-Methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate","","- C17 H19 N3 S2 -","- C17 H19 N3 S2 -","- C34 H38 N6 S4 -","2","1","","Ravoof, Thahira Begum S. A.; Tiekink, Edward R. T.; Omar, Siti Aminah; Begum, Sharifa Zaithun; Tahir, Mohamed I. M.","Crystal structure of (<i>Z</i>)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate","Acta Crystallographica Section E","2015","71","12","o1071","o1072","10.1107/S205698901502407X","","","1.5418","CuKα","","0.0303","0.0303","","","0.0809","0.0809","","","","","","1.048","","","","has coordinates,has Fobs","174764","2020-10-21","18:00:00",""
"2241908","11.1192","0.0018","10.8289","0.0013","23.02","0.003","90","","93.517","0.008","90","","2766.6","0.7","93","1","93","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-<i>n</i>-Propoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)","","- C32 H34 N2 O6 -","- C32 H34 N2 O6 -","- C128 H136 N8 O24 -","4","2","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of four co-crystals of (<i>E</i>)-1,2-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids: 4-methoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-ethoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-<i>n</i>-propoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-<i>n</i>-butoxybenzoic acid‒(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)","Acta Crystallographica Section E","2016","72","11","1666","1671","10.1107/S2056989016017138","","","0.71075","MoKα","","0.033","0.0321","","","0.0791","0.0795","","","","","","1.063","","","","has coordinates,has Fobs","187659","2020-10-21","18:00:00",""
"2242434","16.5434","0.0003","6.79456","0.00011","18.139","0.0004","90","","110.865","0.002","90","","1905.21","0.07","150.15","","150.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","Gallic Acid Tris-Caffeine hexahydrate","","- C31 H48 N12 O17 -","- C31 H48 N12 O17 -","- C62 H96 N24 O34 -","2","1","LH5871","Vella-Zarb, L.; Baisch, U.","Crystal water as the molecular glue for obtaining different co-crystal ratios: the case of gallic acid tris-caffeine hexahydrate","Acta Crystallographica Section E","2018","74","4","559","562","10.1107/S2056989018004528","","","0.71073","MoKα","","0.0372","0.033","","","0.0812","0.0864","","","","","","1.043","","","","has coordinates,has Fobs","207157","2020-10-21","18:00:00",""
"2242749","14.1447","0.0014","11.838","0.0012","7.4252","0.0008","90","","96.681","0.007","90","","1234.9","0.2","180","2","180","2","","","","","","","","4","P 1 c 1","P -2yc","7","","3-(4-Methylphenyl)-6-nitro-1<i>H</i>-indazole","","- C14 H11 N3 O3 -","- C14 H11 N3 O3 -","- C56 H44 N12 O12 -","4","2","FF2156","Ben-Yahia, Ali; El Bakri, Youness; Lai, Chin-Hung; Essassi, El Mokhtar; Mague, Joel T.","Crystal structure, DFT calculations and Hirshfeld surface analysis of 3-(4-methylphenyl)-6-nitro-1<i>H</i>-indazole","Acta Crystallographica Section E","2018","74","12","1857","1861","10.1107/S205698901801647X","","","0.71073","MoKα","","0.1992","0.0639","","","0.1152","0.1584","","","","","","0.939","","","","has coordinates,has Fobs","212135","2020-10-21","18:00:00",""
"2242764","5.95842","0.00016","3.73769","0.0001","25.5943","0.0006","90","","95.362","0.002","90","","567.51","0.03","150","0.14","150","0.14","","","","","","","","4","P 1 c 1","P -2yc","7","4-Carboxyanilinium pyrazine-2-carboxylate","4-Carboxyanilinium pyrazine-2-carboxylate","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","RZ5246","Drozd, K. V.; Arkhipov, S. G.; Boldyreva, E. V.; Perlovich, G. L.","Crystal structure of a 1:1 salt of 4-aminobenzoic acid (vitamin B~10~) with pyrazinoic acid","Acta Crystallographica Section E","2018","74","12","1923","1927","10.1107/S2056989018016663","","x-ray","0.71073","MoKα","","0.0465","0.0441","","","0.1277","0.1313","","","","","","1.13","","","","has coordinates,has Fobs","212313","2020-10-21","18:00:00",""
"2242765","5.95233","0.00016","3.80345","0.00011","25.6879","0.0007","90","","95.037","0.002","90","","579.31","0.03","293","","293","","","","","","","","","4","P 1 c 1","P -2yc","7","4-Carboxyanilinium pyrazine-2-carboxylate","4-Carboxyanilinium pyrazine-2-carboxylate","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","","Drozd, K. V.; Arkhipov, S. G.; Boldyreva, E. V.; Perlovich, G. L.","Crystal structure of a 1:1 salt of 4-aminobenzoic acid (vitamin B~10~) with pyrazinoic acid","Acta Crystallographica Section E","2018","74","12","1923","1927","10.1107/S2056989018016663","","x-ray","0.71073","MoKα","","0.053","0.0491","","","0.1398","0.1445","","","","","","1.111","","","","has coordinates,has Fobs","212313","2020-10-21","18:00:00",""
"2243196","7.8367","0.0003","9.6842","0.0004","7.5006","0.0004","90","","93.468","0.004","90","","568.19","0.04","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Methyl 4-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate","","- C11 H11 N O4 S -","- C11 H11 N O4 S -","- C22 H22 N2 O8 S2 -","2","1","ZP2032","Shishkina, Svitlana; Ukrainets, Igor; Hamza, Ganna; Grinevich, Lina","Molecular and crystal structure of methyl 4-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate","Acta Crystallographica Section E","2018","74","9","1299","1301","10.1107/S2056989018011362","","","0.71073","MoKα","","0.0394","0.0345","","","0.0797","0.0845","","","","","","1.036","","","","has coordinates,has Fobs","227662","2020-10-21","18:00:00",""
"2243428","12.87828","0.00018","6.88418","0.0001","16.208","0.0002","90","","108.151","0.0008","90","","1365.44","0.03","173","2","172.98","","","","","","","","","5","P 1 c 1","P -2yc","7","","<i>N</i>,<i>N</i>-Diisopropyl-4-methylbenzenesulfonamide","","- C13 H21 N O2 S -","- C13 H21 N O2 S -","- C52 H84 N4 O8 S4 -","4","2","PK2628","Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of <i>N</i>,<i>N</i>-diisopropyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2020","76","7","1018","1021","10.1107/S2056989020007185","","","1.54178","CuKα","","0.0436","0.0422","","","0.1079","0.1094","","","","","","1.072","","","","has coordinates,has Fobs","252984","2020-10-21","18:00:00",""
"2243441","13.8433","0.001","7.0774","0.0006","6.2142","0.0005","90","","95.517","0.006","90","","606.01","0.08","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>E</i>)-4-Methyl-2-{[(4-methylphenyl)imino]methyl}phenol","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","TX2025","Yagci, Nermin Kahveci; Faizi, Md. Serajul Haque; Aydin, Alev Sema; Dege, Necmi; Dogan, Onur Erman; Agar, Erbil; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-4-methyl-2-{[(4-methylphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2020","76","7","1075","1079","10.1107/S2056989020007847","","","0.71073","MoKα","","0.1139","0.0684","","","0.1781","0.1985","","","","","","1.052","","","","has coordinates,has Fobs","253203","2020-10-21","18:00:00",""
"2243518","28.1847","0.0014","15.3683","0.0008","30.7354","0.0016","90","","106.461","0.002","90","","12767.4","1.1","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","Poly[[di-μ~4~-acetato-nonakis(μ-<i>N</i>,<i>N</i>-dimethylformamide)octakis(<i>N</i>,<i>N</i>-dimethylformamide)tetrakis[salicylhydroximato(2-)]tetradecakis[salicylhydroximato(3-)]dodecaaluminium(III)didysprosium(III)decasodium(I)] <i>N</i>,<i>N</i>-dimethylformamide 6.335-solvate]","","- C200.01 H245.35 Al12 Dy2 N41.34 Na10 O81.34 -","- C200.005 H245.345 Al12 Dy2 N41.335 Na10 O81.335 -","- C400.01 H490.69 Al24 Dy4 N82.67 Na20 O162.67 -","2","1","","Travis, Jordan R.; Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two dysprosium‒aluminium‒sodium [3.3.1] metallacryptates that form two-dimensional sheets","Acta Crystallographica Section E","2020","76","8","1378","1390","10.1107/S2056989020010130","","","1.54178","CuKα","","0.0557","0.0527","","","0.1351","0.1374","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","254730","2020-10-21","18:00:00",""
"2243825","5.5391","0.0001","5.7873","0.0002","16.0859","0.0004","90","","99.067","0.001","90","","509.21","0.02","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>-[(<i>Z</i>)-(2-Hydroxyphenyl)methylidene]aniline <i>N</i>-oxide","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C26 H22 N2 O4 -","2","1","EY2006","Mohamed, Shaaban K.; Said, Awad I.; Mague, Joel T.; Aly, Moustafa F.; Akkurt, Mehmet; Elgarhy, Sahar M. I.","Crystal structure and Hirshfeld surface analysis of <i>N</i>-[(<i>Z</i>)-(2-hydroxyphenyl)methylidene]aniline <i>N</i>-oxide","Acta Crystallographica Section E","2021","77","6","596","599","10.1107/S2056989021004813","","","1.54178","CuKα","","0.0343","0.0334","","","0.0829","0.084","","","","","","1.063","","","","has coordinates,has Fobs","265127","2021-05-12","04:40:22",""
"2244032","9.5889","0.0007","13.2144","0.001","14.4529","0.001","90","","103.939","0.0018","90","","1777.4","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","5-Acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile","","- C20 H16 Br N3 O2 -","- C20 H16 Br N3 O2 -","- C80 H64 Br4 N12 O8 -","4","2","YK2165","Mamedov, Ibrahim G.; Khrustalev, Victor N.; Akkurt, Mehmet; Novikov, Anton P.; Asgarova, Ayten R.; Aliyeva, Khatira N.; Akobirshoeva, Anzurat A.","Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022001232","","","0.71073","MoKα","","0.1679","0.0645","","","0.1014","0.1323","","","","","","0.976","","","","has coordinates,has Fobs","272549","2022-02-04","03:21:49",""
"2300452","9.16849","0.00064","17.181","0.0022","18.1517","0.0022","90","","96.6067","0.00044","90","","2840.3","0.5","298","","298","","","","","","","","","5","P 1 c 1","P -2yc","7","tolbutamide II","N-[(butylamino)carbonyl]-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C96 H144 N16 O24 S8 -","8","4","TO5064","Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc","Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods","Journal of Applied Crystallography","2014","47","2","659","667","10.1107/S1600576714003379","powder diffraction","","1.5418","CuKα","","","","","","","","","0.047","3.25","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2311430","7.597","0.0007","11.6665","0.0012","7.6754","0.0008","90","","114.2","0.003","90","","620.49","0.11","295","","295","","","","","","","","","4","P 1 c 1","P -2yc","7","","4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","SU5390","Fábry, Jan","4-Amino-benzoic acid 4-methyl-pyridine/4-methyl-pyridinium 4-amino-benzoate 0.58/0.42: a redetermination from the original data.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1508","1512","10.1107/S2056989017013226","","","0.71073","MoKα","","0.0712","0.0307","","","0.056","0.0668","","","","","","1.29","","","","has coordinates","245878","2020-10-21","18:00:00",""
"2311584","10.1879","0.0005","11.6149","0.0005","8.779","0.0004","90","","113.48","0.006","90","","952.82","0.09","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-Amino-4,4,7,7-tetramethyl-3a,5,6,7a-tetrahydrobenzothiazol-3-ium 4-methylbenzoate","","- C19 H26 N2 O2 S -","- C19 H26 N2 O2 S -","- C38 H52 N4 O4 S2 -","2","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.0497","0.0377","","","0.0848","0.0892","","","","","","1.027","","","","has coordinates,has disorder","246003","2020-10-21","18:00:00",""
"2311585","10.2506","0.0005","11.5855","0.0004","8.8269","0.0004","90","","113.807","0.006","90","","959.07","0.08","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium 4-bromobenzoate","","- C18 H23 Br N2 O2 S -","- C18 H23 Br N2 O2 S -","- C36 H46 Br2 N4 O4 S2 -","2","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.0432","0.0323","","","0.0793","0.0826","","","","","","1.061","","","","has coordinates","246003","2020-10-21","18:00:00",""
"2311924","4.8622","0.0003","6.9718","0.0004","10.1539","0.0005","90","","98.727","0.003","90","","340.21","0.03","123","","123","","","","","","","","","4","P 1 c 1","P -2yc","7","","Hydroxytropylium chloride","","- C7 H7 Cl O -","- C7 H7 Cl O -","- C14 H14 Cl2 O2 -","2","1","FP3042","Jandl, Christian; Pöthig, Alexander","Hydroxytropylium chloride: the first crystal structure of an unfunctionalized hydroxytropylium ion.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","810","813","10.1107/S2053229617013183","","","0.71073","MoKα","","0.0213","0.0212","","","0.0585","0.0587","","","","","","1.036","","","","has coordinates","246169","2020-10-21","18:00:00",""
"2311986","7.741","0.0002","14.6209","0.0003","14.0721","0.0006","90","","92.155","0.003","90","","1591.56","0.09","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Bis(3,4-dimethylpyridine‒3,4-dimethylpyridinium) diiodidoaurate(I) iodide","","- C28 H38 Au I3 N4 -","- C28 H38 Au I3 N4 -","- C56 H76 Au2 I6 N8 -","2","1","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)<sub>2</sub>H]<sup>+</sup>·[AuI<sub>2</sub>]<sup>-</sup> and of two polymorphs of [(3,4-lut)<sub>2</sub>H<sup>+</sup>]<sub>2</sub>·[AuI<sub>2</sub>]<sup>-</sup>·I<sup/>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.0422","0.0359","","","0.0781","0.0806","","","","","","1.107","","","","has coordinates","246229","2020-10-21","18:00:00",""
"3000124","13.856","0.003","4.9842","0.0009","23.836","0.005","90","","100.651","0.006","90","","1617.8","0.6","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","","","","","- C16.5 H15 N4.5 O3.5 -","","","","","","Mouhri, Zhor Senhaji; Goodfellow, Elliot; Kelley, Steven P.; Stein, Robin; Rogers, Robin D.; Jean-Claude, Bertrand","","To be published in Molecules","","","","","","","","","0.71073","MoKα","","0.282","0.1434","","","0.3046","","","","","","","1.025","","","","","195561","2020-10-21","18:00:00","2017-09-19"
"4000153","11.1463","0.0005","13.321","0.0006","9.7149","0.0004","90","","105.478","0.001","90","","1390.15","0.11","293","0.2","295","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- In2 O15 Se6 -","- C2 H6 Nb0.5 O4 Re0.5 -","- C8 H24 Nb2 O16 Re2 -","4","2","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.1419","0.0679","","","0.1417","0.1604","","","","","","0.902","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000213","12.374","0.001","4.251","0.004","15.081","0.001","90","","106.67","0.01","90","","759.9","0.7","193","2","193","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H14 Cu I N2 O2 -","- C14 H14 Cu I N2 O2 -","- C28 H28 Cu2 I2 N4 O4 -","2","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm020640w","","","0.71073","MoKα","","0.028","0.0192","","","0.0387","0.0394","","","","","","0.769","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000619","14.739","0.0017","7.0271","0.0005","6.0959","0.0007","90","","99.209","0.014","90","","623.23","0.11","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C30 H26 N2 O8 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050929o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001328","15.3536","0.0004","15.332","0.0004","21.82526","0.00031","90","","90.051","0.005","90","","5137.7","0.2","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Bi2 Hf2 O7 -","- Bi2 Hf2 O7 -","- Bi64 Hf64 O224 -","32","16","","Henderson, Stuart J.; Shebanova, Olga; Hector, Andrew L.; McMillan, Paul F.; Weller, Mark T.","Structural Variations in Pyrochlore-Structured Bi2Hf2O7, Bi2Ti2O7and Bi2Hf2-xTixO7Solid Solutions as a Function of Composition and Temperature by Neutron and X-ray Diffraction and Raman Spectroscopy","Chemistry of Materials","2007","19","7","1712","","10.1021/cm062864a","powder diffraction","neutron","","","","","","","","","","0.0286","","1.34","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001386","14.2291","0.0002","10.0388","0.0002","10.3413","0.0002","90","","92.449","0.001","90","","1475.83","0.05","100","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","CuTHFTC-dehy-RT","","","- C16 H12 Cl2 Cu7 O24.37 -","- C16 H12 Cl2 Cu7 O24.37 -","- C32 H24 Cl4 Cu14 O48.74 -","2","1","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0369","0.0335","","","0.0836","0.0907","","","","","","1.143","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001387","14.1851","0.0002","10.0601","0.0002","10.2537","0.0002","90","","92.262","0.001","90","","1462.1","0.05","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","CuTHF65","","","- C16 H14 Cl2 Cu7 O24 -","- C16 H14 Cl2 Cu7 O24 -","- C32 H28 Cl4 Cu14 O48 -","2","1","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0275","0.0257","","","0.0578","0.0584","","","","","","1.109","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001388","14.119","0.003","10.043","0.002","10.21","0.002","90","","92.16","0.03","90","","1446.7","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","Cu-THF-105","","","- C16 H14 Cl2 Cu7 O23 -","- C16 H14 Cl2 Cu7 O23 -","- C32 H28 Cl4 Cu14 O46 -","2","1","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0247","0.023","","","0.0565","0.0574","","","","","","1.039","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001390","14.1601","0.0003","10.0452","0.0002","10.2294","0.0002","90","","92.258","0.001","90","","1453.91","0.05","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","CuTHFTC-dehy-NH3","","","- C16 H14 Cl2 Cu7 N O23 -","- C16 H14 Cl2 Cu7 N O23 -","- C32 H28 Cl4 Cu14 N2 O46 -","2","1","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0317","0.0288","","","0.0641","0.0649","","","","","","1.1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001514","5.608","0.003","11.314","0.005","9.573","0.005","90","","101.784","0.008","90","","594.6","0.5","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(2-aminoethyl)-4-nitroaniline acetic acid (salt)","","- C10 H15 N3 O4 -","- C10 H15 N3 O4 -","- C20 H30 N6 O8 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1355","0.0542","","","0.0813","0.0997","","","","","","0.985","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001516","4.8677","0.0005","12.5586","0.0013","11.3875","0.0012","90","","99.521","0.002","90","","686.55","0.12","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(2-aminoethyl)-4-nitroaniline butyric acid (salt)","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C24 H38 N6 O8 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1562","0.0596","","","0.1251","0.1519","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001639","11.1463","0.0005","13.321","0.0006","9.7149","0.0004","90","","105.478","0.001","90","","1390.15","0.11","293","0.2","293","0.2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- In2 O15 Se6 -","- In2 O15 Se6 -","- In8 O60 Se24 -","4","2","","Ok, Kang Min; Halasyamani, P. Shiv","New Selenites: Syntheses, Structures, and Characterization of Centrosymmetric Al2(Se2O5)3and Ga2(Se2O5)3and Non-centrosymmetric In2(Se2O5)3","Chemistry of Materials","2002","14","5","2360","","10.1021/cm011694t","","","0.71073","MoKα","","0.0316","0.0301","","","0.0813","0.0825","","","","","","0.902","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001920","7.269","0.005","6.361","0.004","12.408","0.008","90","","106.556","0.011","90","","549.9","0.6","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Ga4 S7 Sn -","- Ga4 S7 Sn -","- Ga8 S14 Sn2 -","2","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","SHG Materials SnGa4Q7(Q = S, Se) Appearing with Large Conversion Efficiencies, High Damage Thresholds, and Wide Transparencies in the Mid-Infrared Region","Chemistry of Materials","2014","26","8","2743","","10.1021/cm5006955","","","0.71073","MoKα","","0.0203","0.0196","","","0.0418","0.0419","","","","","","0.979","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001921","7.577","0.004","6.666","0.003","13.023","0.008","90","","106.68","0.007","90","","630.1","0.6","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Ga4 Se7 Sn -","- Ga4 Se7 Sn -","- Ga8 Se14 Sn2 -","2","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","SHG Materials SnGa4Q7(Q = S, Se) Appearing with Large Conversion Efficiencies, High Damage Thresholds, and Wide Transparencies in the Mid-Infrared Region","Chemistry of Materials","2014","26","8","2743","","10.1021/cm5006955","","","0.71073","MoKα","","0.0562","0.0489","","","0.1099","0.1158","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002162","7.2931","0.0015","15.612","0.003","13.557","0.003","90","","106.64","0.03","90","","1479","0.6","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- K Nb2 P Se10 -","- K Nb2 P Se10 -","- K4 Nb8 P4 Se40 -","4","2","","Syrigos, Jonathan C.; Clark, Daniel J.; Saouma, Felix O.; Clarke, Samantha M.; Fang, Lei; Jang, Joon I.; Kanatzidis, Mercouri G.","Semiconducting Properties and Phase-Matching Nonlinear Optical Response of the One-Dimensional Selenophosphates ANb2PSe10(A = K, Rb, and Cs)","Chemistry of Materials","2015","27","1","255","","10.1021/cm5038217","","","0.71073","MoKα","","0.0728","0.0571","","","0.1307","0.1386","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002163","7.381","0.0015","7.8359","0.0016","13.564","0.003","90","","106.75","0.03","90","","751.2","0.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Nb2 P Rb Se10 -","- Nb2 P Rb Se10 -","- Nb4 P2 Rb2 Se20 -","2","1","","Syrigos, Jonathan C.; Clark, Daniel J.; Saouma, Felix O.; Clarke, Samantha M.; Fang, Lei; Jang, Joon I.; Kanatzidis, Mercouri G.","Semiconducting Properties and Phase-Matching Nonlinear Optical Response of the One-Dimensional Selenophosphates ANb2PSe10(A = K, Rb, and Cs)","Chemistry of Materials","2015","27","1","255","","10.1021/cm5038217","","","0.71073","MoKα","","0.06","0.0461","","","0.1067","0.1239","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002164","14.6257","0.0007","7.8097","0.0004","13.5533","0.0006","90","","98.557","0.004","90","","1530.86","0.13","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Cs Nb2 P Se10 -","- Cs Nb2 P Se10 -","- Cs4 Nb8 P4 Se40 -","4","2","","Syrigos, Jonathan C.; Clark, Daniel J.; Saouma, Felix O.; Clarke, Samantha M.; Fang, Lei; Jang, Joon I.; Kanatzidis, Mercouri G.","Semiconducting Properties and Phase-Matching Nonlinear Optical Response of the One-Dimensional Selenophosphates ANb2PSe10(A = K, Rb, and Cs)","Chemistry of Materials","2015","27","1","255","","10.1021/cm5038217","","","0.71073","MoKα","","0.082","0.0577","","","0.1108","0.1214","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4003527","11.4483","0.0006","8.1332","0.0005","7.8077","0.0004","90","","90.239","0.004","90","","726.98","0.07","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- I5 K2 Na O14 -","- I5 K2 Na O14 -","- I10 K4 Na2 O28 -","2","1","","Abudouwufu, Tushagu; Zhang, Min; Cheng, Shichao; Zeng, Hao; Yang, Zhihua; Pan, Shilie","K2Na(IO3)2(I3O8) with Strong Second Harmonic Generation Response Activated by Two Types of Isolated Iodate Anions","Chemistry of Materials","2020","32","8","3608","3614","10.1021/acs.chemmater.0c00878","","","0.71073","MoKα","","0.0421","0.0391","","","0.0862","0.0881","","","","","","1.029","","","","has coordinates","257098","2020-10-21","18:00:00",""
"4003574","5.54535","0.00004","5.21029","0.00003","7.67491","0.00006","90","","94.6924","0.0006","90","","221.007","0.003","300","","300","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Cu Nb O3 -","- Cu Nb O3 -","- Cu4 Nb4 O12 -","4","2","","Fukuda, Masayuki; Yamada, Ikuya; Murata, Hidenobu; Hojo, Hajime; Hernandez, Olivier J.; Ritter, Clemens; Tanaka, Katsuhisa; Fujita, Koji","Perovskite-Type CuNbO3 Exhibiting Unusual Noncollinear Ferrielectric to Collinear Ferroelectric Dipole Order Transition","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00444","powder diffraction","","1.594","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.6644","1.27185","","","","","","","has coordinates","253014","2020-10-21","18:00:00",""
"4021162","16.5047","0.0014","9.6141","0.0008","15.5962","0.0014","90","","99.292","0.002","90","","2442.3","0.4","273","2","273","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H32 O3 Si4 -","- C19 H32 O3 Si4 -","- C76 H128 O12 Si16 -","4","2","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021666","11.253","0.001","39.851","0.006","20.366","0.003","90","","94.469","0.003","90","","9105","2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-[9-Methyl-2-(4-phenoxy-phenyl)-6,7,8,9-tetrahydro- 5H-pyrido[2,3-b]azepin-4-yl]-benzonitrile","","- C29 H25 N3 O -","- C29 H25 N3 O -","- C464 H400 N48 O16 -","16","8","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.1726","0.0735","","","0.1356","0.1718","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022748","5.423","0.005","11.41","0.005","10.664","0.005","90","0.005","100.34","0.005","90","0.005","649.1","0.7","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","pentaleno[b]indole","5,6a-Dimethyl-6,6a,7,8,9,9a-hexahydropentaleno[2,1-b]indol-6,7-dione","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C32 H30 N2 O4 -","2","1","","A. K. Yadav; S. Peruncheralathan; H. Ila; H. Junjappa","Domino Carbocationic Rearrangement of α-[Bis(methylthio)methylene]alkyl-2-(3/2-indolyl)) Cyclopropyl Ketones","Journal of Organic Chemistry","2007","72","","1388","1394","10.1021/jo062302a","","x-ray","0.71069","MoKα","","0.2754","0.0576","","","0.0862","0.1304","","","","","","1.054","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022934","9.0989","0.0008","10.8894","0.0009","15.5127","0.0013","90","","96.359","0.003","90","","1527.6","0.2","90","2","90","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","2","","Eric S. Sherman; Peter H. Fuller; Dhanalakshmi Kasi; Sherry R. Chemler","Pyrrolidine and Piperidine Formation via Copper(II) Carboxylate-Promoted Intramolecular Carboamination of Unactivated Olefins: Diastereoselectivity and Mechanism","Journal of Organic Chemistry","2007","72","","3896","3905","10.1021/jo070321u","","","0.71073","MoKα","","0.0383","0.0344","","","0.0695","0.0709","","","","","","1.539","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022994","6.107","0.0003","16.1821","0.0008","15.2318","0.0007","90","","92.612","0.002","90","","1503.7","0.13","223","2","223","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C38 H32 N4 O5 -","- C38 H32 N4 O5 -","- C76 H64 N8 O10 -","2","1","","Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine","Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides","Journal of Organic Chemistry","2007","72","","9195","9202","10.1021/jo701408y","","","0.71073","MoKα","","0.0685","0.0536","","","0.1445","0.161","","","","","","1.069","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4023560","16.7331","0.001","11.8298","0.0007","16.488","0.001","90","","104.605","0.001","90","","3158.3","0.3","220","2","220","2","","","","","","","","4","P 1 c 1","P -2yc","7","CT","CT","","- C62 H74.5 N15.5 O14 -","- C56 H58 N10 O14 -","- C112 H116 N20 O28 -","2","1","","Soumyadip Ghosh; Anxin Wu; James C. Fettinger; Peter Y. Zavalij; Lyle Isaacs","Self-Sorting Molecular Clips","Journal of Organic Chemistry","2008","73","","5915","5925","10.1021/jo8009424","","","0.71073","MoKα","","0.05","0.0439","","","0.0966","0.0993","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023774","10.434","0.003","9.976","0.006","8.094","0.006","90","","101.4","0.03","90","","825.9","0.8","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C17 H22 N2 O3 S -","- C17 H22 N2 O3 S -","- C34 H44 N4 O6 S2 -","2","1","","Detian Gao; Huimin Zhai; Masood Parvez; Thomas G. Back","1,3-Dipolar Cycloadditions of Acetylenic Sulfones in Solution and on Solid Supports","Journal of Organic Chemistry","2008","73","","8057","8068","10.1021/jo801621d","","","0.71073","MoKα","","0.0494","0.0381","","","0.0981","0.1186","","","","","","0.955","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025261","3.9416","0.0005","14.6497","0.0018","9.9791","0.0013","90","","97.043","0.002","90","","571.88","0.13","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","2,5-dibromo-3-β-styrylthiophene","","","- C12 H8 Br2 S -","- C12 H8 Br2 S -","- C24 H16 Br4 S2 -","2","1","","Sébastien Clément; Franck Meyer; Julien De Winter; Olivier Coulembier; Christophe M. L. Vande Velde; Matthias Zeller; Pascal Gerbaux; Jean-Yves Balandier; Sergey Sergeyev; Roberto Lazzaroni; Yves Geerts; Philippe Dubois","Synthesis and Supramolecular Organization of Regioregular Polythiophene Block Oligomers","Journal of Organic Chemistry","2010","75","","1561","1568","10.1021/jo902490m","","","0.71073","MoKα","","0.04","0.038","","","0.0896","0.0903","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025886","5.889","0.0002","12.0381","0.0004","14.7561","0.0005","90","","94.825","0.002","90","","1042.39","0.06","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C30 H22 O2 -","- C30 H22 O2 -","- C60 H44 O4 -","2","1","","Runa Pal; Ronald J. Clark; Mariappan Manoharan; Igor V. Alabugin","Fast Oxy-Cope Rearrangements of Bis-alkynes: Competition with Central C-C Bond Fragmentation and Incorporation in Tunable Cascades Diverging from a Common Bis-allenic Intermediate","Journal of Organic Chemistry","2010","75","","8689","8692","10.1021/jo101838a","","","0.71073","MoKα","","0.0338","0.0302","","","0.0455","0.0459","","","","","","2.138","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026196","5.6207","0.0006","8.9814","0.0009","13.4657","0.0016","90","","98.176","0.006","90","","672.86","0.13","103","2","103","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H15 F O -","- C18 H15 F O -","- C36 H30 F2 O2 -","2","1","","Srinivasa Reddy Mothe; Prasath Kothandaraman; Weidong Rao; Philip Wai Hong Chan","Rapid Access to Halohydrofurans via Brønsted Acid-Catalyzed Hydroxylation/Halocyclization of Cyclopropyl Methanols with Water and Electrophilic Halides","Journal of Organic Chemistry","2011","76","","2521","2531","10.1021/jo102374z","","","0.71073","MoKα","","0.0631","0.0443","","","0.1228","0.1457","","","","","","1.077","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026612","8.267","0.0006","10.4877","0.0007","14.6808","0.001","90","","102.9","0.001","90","","1240.73","0.15","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","AQ-PNA-imine","","","- C28 H26 N2 O8 -","- C28 H26 N2 O8 -","- C56 H52 N4 O16 -","2","1","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.0385","0.0327","","","0.0702","0.0729","","","","","","1.034","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026853","9.5556","0.0001","13.4123","0.0002","14.4803","0.0003","90","","107.654","0.0007","90","","1768.43","0.05","90","","90","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H25 Al O -","- C20 H25 Al O -","- C80 H100 Al4 O4 -","4","2","","Kengo Yoshida; Taniyuki Furuyama; Chao Wang; Atsuya Muranaka; Daisuke Hashizume; Shuji Yasuike; Masanobu Uchiyama","Aluminepin: Aluminum Analogues of Borepin and Gallepin","Journal of Organic Chemistry","2012","77","","729","732","10.1021/jo201992q","","","0.71073","MoKα","","0.0687","0.0634","","","0.1939","0.1994","","","","","","1.103","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4027929","15.2753","0.0019","15.4099","0.0014","31.734","0.004","90","","99.903","0.002","90","","7358.6","1.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C160 H130 Br2 N24 O32 -","- C160 H130 Br2 N24 O32 -","- C320 H260 Br4 N48 O64 -","2","1","","Bijan Roy; Arun Kumar Bar; Bappaditya Gole; Partha Sarathi Mukherjee","Fluorescent Tris-Imidazolium Sensors for Picric Acid Explosive","Journal of Organic Chemistry","2013","78","","1306","1310","10.1021/jo302585a","","","0.71073","MoKα","","0.4484","0.1446","","","0.3184","0.4812","","","","","","0.961","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4028469","13.1836","0.0003","5.4727","0.0001","8.6078","0.0002","90","","92.362","0.002","90","","620.52","0.02","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C28 H30 N6 O2 -","2","1","","Joseph E. Banning; Jacob Gentillon; Pavel G. Ryabchuk; Anthony R. Prosser; Andrew Rogers; Andrew Edwards; Andrew Holtzen; Ivan A. Babkov; Marina Rubina; Michael Rubin","Formal Substitution of Bromocyclopropanes with Nitrogen Nucleophiles","Journal of Organic Chemistry","2013","78","","7601","7616","10.1021/jo4011798","","","1.54178","CuKα","","0.0283","0.0266","","","0.0673","0.0682","","","","","","1.036","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028534","17.6848","0.0016","21.47","0.002","20.6857","0.0018","90","","99.421","0.005","90","","7748.3","1.2","296","2","296","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C90.5 H56.5 Cl3.5 F10 N4 O9.5 S2 -","- C90.5 H56.5 Cl3.5 F10 N4 O9.5 S2 -","- C362 H226 Cl14 F40 N16 O38 S8 -","4","2","","Ganesan Karthik; Pallavee Vitti Krushna; A. Srinivasan; Tavarekere K. Chandrashekar","Calix[2]thia[4]phyrin: An Expanded Calixphyrin with Aggregation-Induced Enhanced Emission and Anion Receptor Properties","Journal of Organic Chemistry","2013","78","","8496","8501","10.1021/jo401232a","","","0.71073","MoKα","","0.1112","0.0814","","","0.2186","0.2455","","","","","","1.031","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4029093","11.2869","0.0008","11.7092","0.0008","7.9701","0.0005","90","","95.891","0.003","90","","1047.77","0.12","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C25 H19 N5 O -","- C25 H19 N5 O -","- C50 H38 N10 O2 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.0672","0.0542","","","0.1663","0.1791","","","","","","1.34","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029588","10.7516","0.0016","5.7473","0.0007","11.2884","0.0011","90","","104.7","0.014","90","","674.71","0.15","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C28 H28 N12 O2 -","2","1","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.1105","0.0602","","","0.1188","0.1462","","","","","","0.985","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4030036","11.9869","0.0009","9.9485","0.0007","20.9771","0.0015","90","","104.362","0.005","90","","2423.4","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C23 H23 B Cl2 F2 N2 O4 S -","- C23 H23 B Cl2 F2 N2 O4 S -","- C92 H92 B4 Cl8 F8 N8 O16 S4 -","4","2","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.074","0.064","","","0.1704","0.1804","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4031279","20.039","0.0015","5.3151","0.0004","25.268","0.002","90","","90.051","0.003","90","","2691.3","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H22 Br2 N2 O10 Se2 -","- C22 H22 Br2 N2 O10 Se2 -","- C88 H88 Br8 N8 O40 Se8 -","4","2","","Singh, Vijay P.; Poon, Jia-Fei; Butcher, Ray J.; Lu, Xi; Mestres, Gemma; Ott, Marjam Karlsson; Engman, Lars","Effect of a Bromo Substituent on the Glutathione Peroxidase Activity of a Pyridoxine-like Diselenide.","The Journal of organic chemistry","2015","80","15","7385","7395","10.1021/acs.joc.5b00797","","","0.71073","MoKα","","0.0536","0.0492","","","0.1261","0.1309","","","","","","1.085","","","","has coordinates","154682","2020-10-21","18:00:00",""
"4031350","7.6174","0.0004","8.8763","0.0005","15.4323","0.0007","90","","117.703","0.002","90","","923.83","0.08","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C21 H21 B F4 N2 -","- C21 H21 B F4 N2 -","- C42 H42 B2 F8 N4 -","2","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.033","0.0308","","","0.0779","0.0798","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031845","5.90211","0.00011","7.66146","0.00014","40.2458","0.0007","90","","93.335","0.007","90","","1816.78","0.06","93","","93","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H14 F3 N O2 -","- C25 H14 F3 N O2 -","- C100 H56 F12 N4 O8 -","4","2","","Nishida, Jun-Ichi; Ohura, Hokuto; Kita, Yasuyuki; Hasegawa, Hiroyuki; Kawase, Takeshi; Takada, Noriyuki; Sato, Hiroyasu; Sei, Yoshihisa; Yamashita, Yoshiro","Phthalimide Compounds Containing a Trifluoromethylphenyl Group and Electron-Donating Aryl Groups: Color-Tuning and Enhancement of Triboluminescence.","The Journal of organic chemistry","2016","81","2","433","441","10.1021/acs.joc.5b02191","","","1.54187","CuKα","","0.0429","0.0404","","","0.1147","0.1162","","","","","","1.089","","","","has coordinates","175706","2020-10-21","18:00:00",""
"4032865","8.4609","0.0007","12.4431","0.0011","8.234","0.0008","90","","99.375","0.002","90","","855.3","0.13","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C24 H17 N -","- C24 H17 N -","- C48 H34 N2 -","2","1","","Feng, Ruokun; Ning, Hanqi; Su, Han; Gao, Yuan; Yin, Haotian; Wang, Yudan; Yang, Zhen; Qi, Chenze","Selective Synthesis of Alkynylated Isoquinolines and Biisoquinolines via Rh(III) Catalyzed C-H Activation/1,3-Diyne Strategy.","The Journal of organic chemistry","2017","82","19","10408","10417","10.1021/acs.joc.7b01867","","","0.71073","MoKα","","0.0831","0.0486","","","0.1286","0.1518","","","","","","1.008","","","","has coordinates","202711","2020-10-21","18:00:00",""
"4033349","9.4636","0.0001","9.3031","0.0001","12.0391","0.0002","90","","112.321","0.001","90","","980.51","0.02","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C20 H26 O7 -","- C20 H26 O7 -","- C40 H52 O14 -","2","1","","Kreibich, Michael; Petrović, Denis; Brückner, Reinhard","Mechanistic Studies of the Deslongchamps Annulation.","The Journal of organic chemistry","2018","83","3","1116","1133","10.1021/acs.joc.7b02341","","","0.71073","MoKα","","0.0487","0.0436","","","0.1102","0.1128","","","","","","1.068","","","","has coordinates","227607","2020-10-21","18:00:00",""
"4033624","10.0337","0.0005","5.7858","0.0003","19.3039","0.001","90","","100.44","0.005","90","","1102.1","0.1","123","","123","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C31 H20 O2 -","- C31 H20 O2 -","- C62 H40 O4 -","2","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0462","0.0375","","","0.0855","0.0894","","","","","","1.056","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033893","13.1063","0.0004","14.9181","0.0005","7.0214","0.0002","90","","97.3063","0.0012","90","","1361.69","0.07","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H12 F2 O -","- C18 H12 F2 O -","- C72 H48 F8 O4 -","4","2","","Bosmans, Vera; Poater, Jordi; Hammink, Roel; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin","Probing Through-Space Polar-π Interactions in 2,6-Diarylphenols.","The Journal of organic chemistry","2019","84","6","3632","3637","10.1021/acs.joc.8b03147","","","0.71073","MoKα","","0.0595","0.0423","","","0.1038","0.1109","","","","","","1.036","","","","has coordinates","222468","2020-10-21","18:00:00",""
"4034819","6.8791","0.0003","16.782","0.0007","8.8948","0.0004","90","","95.33","0.004","90","","1022.42","0.08","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H24 N2 O8 -","- C21 H25 N2 O8 -","- C42 H50 N4 O16 -","2","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0377","0.0342","","","0.0796","0.0823","","","","","","1.051","","","","has coordinates","226339","2020-10-21","18:00:00",""
"4035842","13.4599","0.0013","5.9693","0.0004","8.7884","0.001","90","","101.719","0.009","90","","691.4","0.12","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H14 F N O4 -","- C15 H14 F N O4 -","- C30 H28 F2 N2 O8 -","2","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.107","0.0484","","","0.0936","0.1149","","","","","","0.84","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4036261","8.5158","0.0007","6.0532","0.0005","11.8232","0.001","90","","95.954","0.003","90","","606.17","0.09","120","2","120","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C28 H32 O8 -","2","1","","Chen, Jun; Kilpatrick, Brenden; Oliver, Allen G.; Wulff, Jeremy E.","Expansion of Thiele's Acid Chemistry in Pursuit of a Suite of Conformationally Constrained Scaffolds.","The Journal of organic chemistry","2015","80","18","8979","8989","10.1021/acs.joc.5b01332","","","1.54184","CuKα","","0.0537","0.0531","","","0.1454","0.1471","","","","","","1.118","","","","has coordinates,has disorder","234474","2020-10-21","18:00:00",""
"4037366","9.5474","0.0008","13.3245","0.0012","15.2278","0.0017","90","","94.942","0.004","90","","1930","0.3","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","(3'R*,4'S*)-3'-(2-hydroxyphenyl)-4'-methyl-3',4'-dihydro-5'H-spiro[dibenzo[a,d][7]annulene-5,2'-furan]-5'-one","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0807","0.0368","","","0.0484","0.0519","","","","","","1","","","","has coordinates","236020","2020-10-21","18:00:00",""
"4037393","9.548","0.003","12.627","0.004","7.358","0.002","90","","109.129","0.003","90","","838.1","0.4","296","2","296.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H15 N O2 -","- C23 H15 N O2 -","- C46 H30 N2 O4 -","2","1","","Yu, Yulan; Zhuang, Shengyi; Liu, Ping; Sun, Peipei","Cyanomethylation and Cyclization of Aryl Alkynoates with Acetonitrile under Transition-Metal-Free Conditions: Synthesis of 3-Cyanomethylated Coumarins.","The Journal of organic chemistry","2016","81","22","11489","11495","10.1021/acs.joc.6b02155","","","0.71073","MoKα","","0.0264","0.0249","","","0.0647","0.0654","","","","","","1.04","","","","has coordinates","236072","2020-10-21","18:00:00",""
"4037733","10.1364","0.0008","30.2806","0.0019","7.3026","0.0005","90","","106.248","0.007","90","","2151.9","0.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C96 H72 N24 O16 -","8","4","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.2323","0.0697","","","0.1111","0.1606","","","","","","0.862","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037876","15.8429","0.0016","15.1141","0.0015","9.6013","0.001","90","","95.301","0.003","90","","2289.2","0.4","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C52 H74 O6 -","- C51 H71 O6 -","- C102 H142 O12 -","2","1","","Cornelissen, Milo D.; Pilon, Simone; Steemers, Luuk; Wanner, Martin J.; Frölke, Steven; Zuidinga, Ed; Jorgensen, Steen Ingemann; van der Vlugt, Jarl Ivar; van Maarseveen, Jan H.","A covalent and modular synthesis of homo and hetero [n]rotaxanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03030","","","0.71073","MoKα","","0.2594","0.1643","","","0.2888","0.3261","","","","","","1.639","","","","has coordinates","247391","2020-10-21","18:00:00",""
"4038112","9.7179","0.0009","12.4696","0.0012","7.5883","0.0008","90","","106.874","0.005","90","","879.95","0.15","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H15 Cl O2 -","- C23 H15 Cl O2 -","- C46 H30 Cl2 O4 -","2","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0662","0.0426","","","0.1006","0.1142","","","","","","1.041","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038841","7.327","0.004","15.647","0.009","7.711","0.004","90","","96.781","0.014","90","","877.8","0.8","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.1026","0.0662","","","0.1419","0.1596","","","","","","1.056","","","","has coordinates","256779","2020-10-21","18:00:00",""
"4060679","9.7099","0.0002","9.9514","0.0002","14.8062","0.0003","90","","105.411","0.0011","90","","1379.24","0.05","473.2","","200","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C29 H22 Ir2 O8 W2 -","- C29 H22 Ir2 O8 W2 -","- C58 H44 Ir4 O16 W4 -","2","1","","Nigel T. Lucas; Eleni G. A. Notaras; Marie P. Cifuentes; Mark G. Humphrey","Mixed-Metal Cluster Chemistry. 21. Synthesis and Crystallographic and Electrochemical Studies of Alkyne-Coordinated Group 6-Iridium Clusters Linked by Phenylenevinylene Groups","Organometallics","2003","22","","284","301","10.1021/om020203r","","","0.7107","MoKα","","0.0299","0.0275","","0.0302","","0.0295","","","1.149","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062060","11.3696","0.0015","18.178","0.003","10.7818","0.0016","90","","117.22","","90","","1981.6","0.5","293","","293","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C44 H35 Mo O3 P2 S2 W -","- C44 H35 Mo O3 P2 S2 W -","- C88 H70 Mo2 O6 P4 S4 W2 -","2","1","","","","Organometallics","2003","","","","","","","","","","","","0.047","","","0.04","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062765","17.456","0.004","13.216","0.003","12.616","0.003","90","","104.71","0.03","90","","2815.1","1","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H15 Cl N2 Pt -","- C14 H15 Cl N2 Pt -","- C112 H120 Cl8 N16 Pt8 -","8","4","","","","Organometallics","2004","","","","","10.1021/om0496232","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4064600","12.8966","0.0017","16.2369","0.0019","44.127","0.006","90","","91.002","0.01","90","","9239","2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Ni(CNArDipp)3","","","- C109 H130 N4 Ni -","- C109 H130 N4 Ni -","- C436 H520 N16 Ni4 -","4","2","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","1.54184","CuKα","","0.0661","0.0532","","","0.1185","0.1258","","","","","","1.012","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4065406","10.3747","0.0012","23.269","0.003","11.4809","0.0012","90","","108.179","0.003","90","","2633.3","0.5","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H29 B10 N Zr -","- C25 H29 B10 N Zr -","- C100 H116 B40 N4 Zr4 -","4","2","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.1235","0.0603","","","0.0999","0.1261","","","","","","0.997","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065659","7.6328","0.0003","7.6138","0.0003","21.2288","0.0008","90","","93.837","0.001","90","","1230.94","0.08","103","2","103","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C24 H23 F3 N O5 P S -","- C24 H23 F3 N O5 P S -","- C48 H46 F6 N2 O10 P2 S2 -","2","1","","Tian, Rongqiang; Mathey, François","7-Phosphanorbornenium Borohydrides: A Powerful Route to Functional Secondary Phosphine−Borane Complexes","Organometallics","2010","29","8","1873","","10.1021/om100053d","","","0.71073","MoKα","","0.0414","0.0372","","","0.0933","0.0986","","","","","","1.052","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4066104","9.368","0.0019","9.2432","0.0019","16.261","0.003","90","","91.123","0.004","90","","1407.8","0.5","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C32 H28 Hg2 N4 -","- C32 H28 Hg2 N4 -","- C64 H56 Hg4 N8 -","2","1","","Patel, Upali; Sharma, Sagar; Singh, Harkesh B.; Dey, Sandip; Jain, Vimal K.; Wolmershäuser, Gotthelf; Butcher, Ray J.","Intermetallic Bonds in Metallophilic Mercuraazametallamacrocycles of Synthetic Design","Organometallics","2010","29","19","4265","","10.1021/om100297v","","","0.71073","MoKα","","0.0713","0.0679","","","0.1736","0.1753","","","","","","1.106","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066380","14.326","0.0012","11.9585","0.0013","20.7019","0.0018","90","","105.778","0.007","90","","3413","0.6","173","2","173","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C32 H50 Cl F6 Fe P3 Ru -","- C32 H50 Cl F6 Fe P3 Ru -","- C128 H200 Cl4 F24 Fe4 P12 Ru4 -","4","2","","Sixt, Torsten; Sieger, Monika; Krafft, Michael J.; Bubrin, Denis; Fiedler, Jan; Kaim, Wolfgang","Ambi-Valence Taken Literally: Ruthenium vs Iron Oxidation in (1,1′-Diphosphinoferrocene)ruthenium(II) Hydride and Chloride Complexes as Deduced from Spectroelectrochemistry of the Heterodimetallic “Mixed-Valent” Intermediates†","Organometallics","2010","29","21","5511","","10.1021/om1004258","","","0.71073","MoKα","","0.0994","0.073","","","0.175","0.1943","","","","","","1.009","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066477","10.0348","0.0003","14.1218","0.0003","18.4385","0.0004","90","","121.008","0.001","90","","2239.51","0.1","100","2","100","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C39 H76 B Br2 N P2 Pt Si -","- C39 H76 B Br2 N P2 Pt Si -","- C78 H152 B2 Br4 N2 P4 Pt2 Si2 -","2","1","","Braunschweig, Holger; Matz, Ferdinand; Radacki, Krzysztof; Schneider, Achim","Reactivity of Platinum Iminoboryl Complexes toward Covalent Element−Hydrogen Bonds of Opposing Polarity","Organometallics","2010","29","15","3457","","10.1021/om1004868","","","0.71073","MoKα","","0.0168","0.0156","","","0.0317","0.0411","","","","","","1.099","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4068664","9.6834","0.0002","16.8383","0.0004","19.4651","0.0005","90","","99.312","0.001","90","","3132","0.13","173","2","173","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C55 H67 B2 Cl3 F8 O8 P4 Pd2 -","- C55 H67 B2 Cl3 F8 O8 P4 Pd2 -","- C110 H134 B4 Cl6 F16 O16 P8 Pd4 -","2","1","","Hamada, Adel; Braunstein, Pierre","Palladium Alkyl Complexes Containing β-Phosphonato−Phosphine P,O Ligands and Their Reactivity toward CO-Ethylene or -Acrylate Insertion","Organometallics","2009","28","6","1688","","10.1021/om801020e","","","0.71073","MoKα","","0.0848","0.0485","","","0.109","0.128","","","","","","0.999","","","","has coordinates,has disorder","178576","2020-10-21","18:00:00",""
"4068896","15.8444","0.0004","11.8912","0.0003","21.7225","0.0005","90","","106.277","0.002","90","","3928.67","0.17","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C37 H46 Au F6 N2 O Sb -","- C37 H46 Au F6 N2 O Sb -","- C148 H184 Au4 F24 N8 O4 Sb4 -","4","2","","Fañanás-Mastral, Martín; Aznar, Fernando","Carbene Transfer Reactions from Chromium(0) to Gold(I): Synthesis and Reactivity of New Fischer-Type Gold(I) Alkenyl Carbene Complexes","Organometallics","2009","28","3","666","","10.1021/om801146z","","","1.54178","CuKα","","0.0534","0.0485","","","0.1189","0.1228","","","","","","1.028","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4069494","13.967","0.0005","8.6217","0.0003","16.4429","0.0007","90","","90.031","0.002","90","","1980.04","0.13","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C38 H54 I2 Ir2 N4 -","- C38 H54 I2 Ir2 N4 -","- C76 H108 I4 Ir4 N8 -","2","1","","Raynal, Matthieu; Pattacini, Roberto; Cazin, Catherine S. J.; Vallée, Christophe; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Reaction Intermediates in the Synthesis of New Hydrido, N-Heterocyclic Dicarbene Iridium(III) Pincer Complexes","Organometallics","2009","28","14","4028","","10.1021/om900226c","","","0.71073","MoKα","","0.0633","0.0414","","","0.0835","0.0914","","","","","","1.053","","","","has coordinates","178583","2020-10-21","18:00:00",""
"4069698","9.79","0.002","17.122","0.004","19.337","0.005","90","","104.332","0.004","90","","3140.5","1.3","100","0.1","100","0.1","","","","","","","synthesis as described","6","P 1 c 1","P -2yc","7","","","","- C31 H35 Co2 Mo2 O8 P -","- C31 H35 Co2 Mo2 O8 P -","- C124 H140 Co8 Mo8 O32 P4 -","4","2","","García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 5. Heterometallic Clusters Derived from the Neutral Complex [Mo2(η5-C5H5)2(μ-COMe)(μ-PCy2)(μ-CO)]","Organometallics","2009","28","15","4385","","10.1021/om900361w","","x-ray","0.71073","MoKα","","0.0474","0.0369","","","0.0842","0.0884","","","","","","1.069","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4070058","12.176","0.0011","9.4131","0.0009","14.5144","0.001","90","","107.862","0.005","90","","1583.4","0.2","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C18 H38 Cu3 I5 N6 P2 -","- C18 H38 Cu3 I5 N6 P2 -","- C36 H76 Cu6 I10 N12 P4 -","2","1","","Kirillov, Alexander M.; Smoleński, Piotr; Ma, Zhen; da Silva, M. Fátima C. Guedes; Haukka, Matti; Pombeiro, Armando J. L.","Copper(I) Iodide Complexes Derived fromN-Alkyl-1,3,5-triaza-7-phosphaadamantanes: Synthesis, Crystal Structures, Photoluminescence, and Identification of the Unprecedented {Cu3I5}2−Cluster","Organometallics","2009","28","22","6425","","10.1021/om900591q","","","0.71073","MoKα","","0.0512","0.0385","","","0.0784","0.0837","","","","","","1.081","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070063","12.176","0.0011","9.4131","0.0009","14.5144","0.001","90","","107.862","0.005","90","","1583.4","0.2","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C18 H38 Cu3 I5 N6 P2 -","- C18 H38 Cu3 I5 N6 P2 -","- C36 H76 Cu6 I10 N12 P4 -","2","1","","Vicente, José; Shenoy, Rashmi V.; Martínez-Viviente, Eloísa; Jones, Peter G.","Synthesis of Mono-, Di-, and Tripalladated 1,3,5-Benzenetricarboxaldehyde Complexes","Organometallics","2009","28","20","6101","","10.1021/om9005966","","","0.71073","MoKα","","0.0512","0.0385","","","0.0784","0.0837","","","","","","1.081","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070667","17.277","0.001","9.771","0.0006","18.618","0.001","90","","94.561","0.001","90","","3133","0.3","100","1","100","1","","","","","","","see text","5","P 1 c 1","P -2yc","7","","","","- C62 H100 La2 N8 Si2 -","- C62 H100 La2 N8 Si2 -","- C124 H200 La4 N16 Si4 -","2","1","","Bambirra, Sergio; Perazzolo, Francesca; Boot, Steven J.; Sciarone, Timo J. J.; Meetsma, Auke; Hessen, Bart","Strategies for the Synthesis of Lanthanum Dialkyl Complexes with Monoanionic Ancillary Ligands","Organometallics","2008","27","4","704","","10.1021/om700919h","","","0.71073","MoKα","","0.0296","0.0283","","","0.0643","0.065","","","","","","0.972","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4072093","15.108","0.003","13.258","0.003","20.346","0.004","90","","98.395","0.003","90","","4031.7","1.4","294","2","294","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C25 H20 N P -","- C25 H20 N P -","- C200 H160 N8 P8 -","8","4","","Sun, Kai; Wang, Li; Wang, Zhong-Xia","Synthesis and Characterization of Amido Pincer Complexes of Lithium and Nickel and Catalysis of the Nickel Complexes in the Kumada Cross-Coupling","Organometallics","2008","27","21","5649","","10.1021/om800580p","","","0.7107","MoKα","","0.1092","0.0566","","","0.1321","0.1658","","","","","","1.041","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072442","9.589","0.004","15.738","0.008","7.515","0.004","90","","94.401","0.011","90","","1130.8","1","180","2","180","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H22 Cl2 F2 N4 Pt -","- C22 H22 Cl2 F2 N4 Pt -","- C44 H44 Cl4 F4 N8 Pt2 -","2","1","","Newman, Christopher P.; Deeth, Robert J.; Clarkson, Guy J.; Rourke, Jonathan P.","Synthesis of Mixed NHC/L Platinum(II) Complexes: Restricted Rotation of the NHC Group","Organometallics","2007","26","25","6225","","10.1021/om700671y","","","0.71073","MoKα","","0.0923","0.0886","","","0.2123","0.2191","","","","","","1.723","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4073314","8.601","0.002","15.399","0.002","23.084","0.003","90","","94.41","0.02","90","","3048.4","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H54 O Ti Zr -","- C33 H54 O Ti Zr -","- C132 H216 O4 Ti4 Zr4 -","4","2","","Gurubasavaraj, Prabhuodeyara M.; Roesky, Herbert W.; Sharma, Prabhuodeyara M. Veeresha; Oswald, Rainer B.; Dolle, Volker; Herbst-Irmer, Regine; Pal, Aritra","Oxygen Effect in Heterobimetallic Catalysis: The Zr−O−Ti System as an Excellent Example for Olefin Polymerization‡","Organometallics","2007","26","14","3346","","10.1021/om070235k","","","1.54178","CuKα","","0.058","0.0496","","","0.1325","0.1377","","","","","","1.017","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073352","7.9471","0.0007","19.6757","0.0017","11.1282","0.001","90","","99.475","0.002","90","","1716.3","0.3","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H18 N2 O3 Pd -","- C20 H18 N2 O3 Pd -","- C80 H72 N8 O12 Pd4 -","4","2","","Guo, Ruiyun; Portscheller, Janelle L.; Day, Victor W.; Malinakova, Helena C.","An Allylpalladium(IV) Intermediate in the Synthesis of Highly Substituted Benzoxepines and Benzopyrans via Reactions of Stable Pallada(II)cycles with Allyl Bromides","Organometallics","2007","26","15","3874","","10.1021/om7002865","","","0.71073","MoKα","","0.0961","0.0762","","","0.1619","0.176","","","","","","1.076","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073392","9.1694","0.0001","10.0578","0.0002","13.9514","0.0002","90","","95.1086","0.0008","90","","1281.54","0.03","173","1","173","1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H33 I O5 Sn -","- C24 H33 I O5 Sn -","- C48 H66 I2 O10 Sn2 -","2","1","","Reeske, Gregor; Schürmann, Markus; Costisella, Burkhard; Jurkschat, Klaus","Ph(3-n)XnSnCH2-16-crown-5 (X = F, Cl, Br, I, SCN;n= 1, 2): Intramolecular O →Sn Coordination versus Ditopic Complexation of Sodium Thiocyanate†","Organometallics","2007","26","17","4170","","10.1021/om700304p","","","0.71073","MoKα","","0.0199","0.0168","","","0.0314","0.0319","","","","","","0.991","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4074414","11.1365","0.0003","17.4341","0.0004","34.7895","0.0009","90","","93.707","0.001","90","","6740.4","0.3","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C32 H47 Cl2 N3 O0.5 Ru S -","- C31.778 H46.556 Cl2 N3 O0.4445 Ru S -","- C254.224 H372.448 Cl16 N24 O3.556 Ru8 S8 -","8","4","","Hejl, Andrew; Day, Michael W.; Grubbs, Robert H.","Latent Olefin Metathesis Catalysts Featuring Chelating Alkylidenes","Organometallics","2006","25","26","6149","","10.1021/om060620u","","","0.71073","MoKα","","0.09","0.058","","","0.0946","0.1005","","","","","","1.302","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4075520","10.819","0.0003","10.464","0.0004","20.272","0.0006","90","","101.693","0.002","90","","2247.37","0.13","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","ana100","","","- C50 H34 F10 P2 Pt -","- C50 H34 F10 P2 Pt -","- C100 H68 F20 P4 Pt2 -","2","1","","García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Contrasting Thermal and Photochemical Intramolecular Coupling in Alkynylphosphine Platinum(II) Complexes","Organometallics","2006","25","16","3926","","10.1021/om060342z","","","0.71073","MoKα","","0.0407","0.0349","","","0.0788","0.0823","","","","","","1.077","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4077106","11.6742","0.0002","9.9214","0.0002","18.5938","0.0003","90","","95.042","0.001","90","","2145.28","0.07","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H66 K Mg N3 Si6 -","- C30 H66 K Mg N3 Si6 -","- C60 H132 K2 Mg2 N6 Si12 -","2","1","","Forbes, Glenn C.; Kennedy, Alan R.; Mulvey, Robert E.; Roberts, Brett A.; Rowlings, René B.","Alkali Metal Cation−π Interactions Stabilized Solely by [M{N(SiMe3)2}3]-Anions (M = Mg or Zn): The Competing Influence of Alkali Metal···C(Me) Agostic Interactions","Organometallics","2002","21","23","5115","","10.1021/om020596u","","","0.71073","MoKα","","0.0517","0.0378","","","0.0772","0.083","","","","","","1.011","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4078470","8.5966","0.0011","21.533","0.003","15.62","0.002","90","","102.284","0.002","90","","2825.2","0.6","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C38 H92 Cl9 O2 P4 Ru4 -","- C38 H92 Cl9 O2 P4 Ru4 -","- C76 H184 Cl18 O4 P8 Ru8 -","2","1","","Collado, Alba; Esteruelas, Miguel A.; Gulías, Moisés; Mascareñas, José L.; Oñate, Enrique","Reactions of an Osmium(IV) Complex with Allenedienes: Coordination and Intramolecular Cycloadditions","Organometallics","2012","31","12","4450","","10.1021/om300236y","","","0.71073","MoKα","","0.1047","0.0738","","","0.171","0.1921","","","","","","1.025","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078628","9.9455","0.0004","13.7424","0.0005","15.618","0.0006","90","","94.95","0.002","90","","2126.63","0.14","100","2","100","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C41 H34 Cl F3 Ir N2 O4 P2 S2 -","- C41 H34 Cl F3 Ir N2 O4 P2 S2 -","- C82 H68 Cl2 F6 Ir2 N4 O8 P4 S4 -","2","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","1.54178","CuKα","","0","0.0202","","","0.0504","0.0505","","","","","","1.068","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4079132","15.9391","0.0001","11.7641","0.0001","26.1975","0.0002","90","","95.27","0.001","90","","4891.51","0.06","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C114 H100 As2 F12 Fe2 P4 Ru2 -","- C114 H100 As2 F12 Fe2 P4 Ru2 -","- C228 H200 As4 F24 Fe4 P8 Ru4 -","2","1","","Bruce, Michael I.; Costuas, Karine; Gendron, Frédéric; Halet, Jean-François; Jevric, Martyn; Skelton, Brian W.","Oxidative Dimerization of Aryldiynyl‒Ruthenium Complexes","Organometallics","2012","31","18","6555","","10.1021/om3005146","","","1.54178","CuKα","","0.0436","0.0338","","","0.0716","0.0746","","","","","","0.929","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080983","9.6056","0.0004","13.1707","0.0006","16.274","0.0008","90","","95.772","0.001","90","","2048.43","0.16","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C40 H54 Au F6 N4 P -","- C40 H54 Au F6 N4 P -","- C80 H108 Au2 F12 N8 P2 -","2","1","","Guo, Shuai; Sivaram, Haresh; Yuan, Dan; Huynh, Han Vinh","Gold and Palladium Hetero-Bis-NHC Complexes: Characterizations, Correlations, and Ligand Redistributions","Organometallics","2013","32","13","3685","","10.1021/om400313r","","","0.71073","MoKα","","0.0356","0.0327","","","0.0673","0.0685","","","","","","0.96","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4081043","16.798","0.005","10.575","0.003","25.444","0.008","90","","90.052","0.004","90","","4520","2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C49 H51 F5 N4 Ni Sn -","- C49 H51 F5 N4 Ni Sn -","- C196 H204 F20 N16 Ni4 Sn4 -","4","2","","Doster, Meghan E.; Johnson, Samuel A.","Carbon‒Hydrogen Bond Stannylation and Alkylation Catalyzed by Nitrogen-Donor-Supported Nickel Complexes: Intermediates with Ni‒Sn Bonds and Catalytic Carbostannylation of Ethylene with Organostannanes","Organometallics","2013","32","15","4174","","10.1021/om4003889","","","0.71073","MoKα","","0.0777","0.0694","","","0.1653","0.1704","","","","","","1.132","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081560","11.2801","0.0008","13.1742","0.0008","12.0254","0.001","90","","117.54","0.01","90","","1584.6","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H20 Fe N2 O5 -","- C15 H20 Fe N2 O5 -","- C60 H80 Fe4 N8 O20 -","4","2","","Petrov, Alex R.; Jess, Kristof; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Large-Scale Preparation of 1,1′-Ferrocenedicarboxylic Acid, a Key Compound for the Synthesis of 1,1′-Disubstituted Ferrocene Derivatives","Organometallics","2013","32","20","5946","","10.1021/om4004972","","","1.54184","CuKα","","0.0509","0.0432","","","0.0978","0.1026","","","","","","1.026","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4082031","9.566","0.01","13.125","0.014","16.287","0.017","90","","96.61","0.04","90","","2031","4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C40 H54 Cu F6 N4 P -","- C40 H54 Cu F6 N4 P -","- C80 H108 Cu2 F12 N8 P2 -","2","1","","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","","0.1191","0.075","","","0.1666","0.1983","","","","","","0.988","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082134","8.6516","0.0016","12.949","0.003","15.19","0.003","90","","97.624","0.003","90","","1686.7","0.6","296","2","296","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C11 H22 B12 -","- C11 H22 B12 -","- C44 H88 B48 -","4","2","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.0686","0.0523","","","0.1424","0.1572","","","","","","1.031","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082911","8.2611","0.0004","12.5682","0.0007","15.6445","0.0007","90","","96.053","0.003","90","","1615.27","0.14","150","0.02","150","0.02","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C21 H35 Br Cl7 N2 O2 P Re Sb -","- C21 H35 Br Cl7 N2 O2 P Re Sb -","- C42 H70 Br2 Cl14 N4 O4 P2 Re2 Sb2 -","2","1","","Pichaandi, Kothanda Rama; Mazzotta, Michael G.; Harwood, John S.; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","Synthesis, Dynamics, and DFT Studies of Rhenium Dicarbonyl PNN Pincer Complexes in Three Different Oxidation States","Organometallics","2014","33","7","1672","","10.1021/om500007m","","","1.54184","CU-Kα","","0.061","0.061","","","0.167","0.167","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083172","12.3717","0.0014","6.5709","0.0007","17.5678","0.0019","90","","96.262","0.006","90","","1419.6","0.3","110","2","110","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C18 H22 Ru -","- C18 H22 Ru -","- C72 H88 Ru4 -","4","2","","Cluff, Kyle J.; Bhuvanesh, Nattamai; Blümel, Janet","Adsorption of Ruthenium and Iron Metallocenes on Silica: A Solid-State NMR Study","Organometallics","2014","33","11","2671","","10.1021/om500254w","","","1.54178","CuKα","","0.021","0.0209","","","0.0514","0.0514","","","","","","1.12","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083722","10.571","0.0003","17.2332","0.0005","33.7807","0.001","90","","92.026","0.001","90","","6150.1","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 c 1","P -2yc","7","","","","- C132 H129 Fe3 P7 Se -","- C132 H129 Fe3 P7 Se -","- C264 H258 Fe6 P14 Se2 -","2","1","","Tohmé, Ayham; Sahnoune, Hiba; Roisnel, Thierry; Dorcet, Vincent; Halet, Jean-François; Paul, Frédéric","Selenophosphine Derivatives with Pendant Electron-Rich Fe(κ2-dppe)(η5-C5Me5)C≡C‒ Substituents","Organometallics","2014","","","140623083706006","","10.1021/om500211e","","x-ray","0.71073","MoKα","","0.0934","0.0757","","","0.1955","0.2073","","","","","","1.016","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4084049","13.503","0.001","17.697","0.002","20.11","0.002","90","","105.742","0.002","90","","4625.3","0.8","203","2","203","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C44 H77 Cl N2 P2 Ru Si -","- C44 H77 Cl N2 P2 Ru Si -","- C176 H308 Cl4 N8 P8 Ru4 Si4 -","4","2","","Amoroso, Dino; Haaf, Michael; Yap, Glenn P. A.; West, Robert; Fogg, Deryn E.","A Stable Silylene in a Reactive Environment: Synthesis, Reactivity, and Silicon Extrusion Chemistry of a Coordinatively Unsaturated Ruthenium Silylene Complex Containing Chloride and η3-P‒C‒P Ligands","Organometallics","2002","21","3","534","540","10.1021/om0101801","","","0.71073","MoKα","","0.0513","0.0388","","","0.0819","0.0843","","","","","","1.021","","","","has coordinates","219035","2020-10-21","18:00:00",""
"4084480","14.566","0.003","11.279","0.002","14.64","0.003","90","","105.829","0.005","90","","2314","0.8","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C20 H37 Cl Co N2 P2 -","- C20 H37 Cl Co N2 P2 -","- C80 H148 Cl4 Co4 N8 P8 -","4","2","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71069","MoKα","","0.0631","0.0499","","","0.072","0.0743","","","","1.47","1.47","1.39","","","","has coordinates","201208","2020-10-21","18:00:00",""
"4085255","19.598","0.006","12.678","0.004","21.866","0.007","90","","103.637","0.004","90","","5280","3","93","","93","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C56 H78 Ag B F4 N4 O0.5 -","- C56 H78 Ag B F4 N4 O0.5 -","- C224 H312 Ag4 B4 F16 N16 O2 -","4","2","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0509","","","","0.1144","","","","","","1.049","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085318","12.3959","0.0003","16.5584","0.0004","31.349","0.002","90","","91.267","0.006","90","","6433","0.5","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31.5 H44 Cl2 N2 O Pd -","- C31.5 H44 Cl2 N2 O Pd -","- C252 H352 Cl16 N16 O8 Pd8 -","8","4","","Hruszkewycz, Damian P.; Guard, Louise M.; Balcells, David; Feldman, Nicola; Hazari, Nilay; Tilset, Mats","Effect of 2-Substituents on Allyl-Supported Precatalysts for the Suzuki‒Miyaura Reaction: Relating Catalytic Efficiency to the Stability of Palladium(I) Bridging Allyl Dimers","Organometallics","2015","34","1","381","","10.1021/om501250y","","","0.71075","MoKα","","0.0713","0.0488","","","0.0789","0.0865","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085523","9.3091","0.0007","7.9329","0.0006","15.0168","0.0011","90","","100.583","0.003","90","","1090.1","0.14","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H31 B5 Zr2 -","- C20 H31 B5 Zr2 -","- C40 H62 B10 Zr4 -","2","1","","Roy, Dipak Kumar; Mondal, Bijan; De, Anangsha; Panda, Subhankar; Ghosh, Sundargopal","Novel Neutral Zirconaborane [(Cp2Zr)2B5H11]: Anarachno-B3H9Analogue (Cp = η5-C5H5)","Organometallics","2015","34","5","908","","10.1021/om5012853","","","0.71073","MoKα","","0.0485","0.0419","","","0.0943","0.099","","","","","","1.038","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4086340","13.7931","0.001","13.2431","0.001","8.5001","0.0006","90","","102.716","0.0015","90","","1514.58","0.19","243","2","243","2","","","","","","","","8","P 1 c 1","P -2yc","7","jonsc23","Tp'Ni(4-CF3-quinolinate)","","- C26 H29 B Cl2 F3 N7 Ni O -","- C26 H29 B Cl2 F3 N7 Ni O -","- C52 H58 B2 Cl4 F6 N14 Ni2 O2 -","2","1","","Chakraborty, Sumit; Piszel, Paige E.; Brennessel, William W.; Jones, William D.","A Single Nickel Catalyst for the Acceptorless Dehydrogenation of Alcohols and Hydrogenation of Carbonyl Compounds","Organometallics","2015","34","21","5203","","10.1021/acs.organomet.5b00824","","","0.71073","MoKα","","0.0992","0.0626","","","0.1677","0.1933","","","","","","1.052","","","","has coordinates","170216","2020-10-21","18:00:00",""
"4087018","10.8063","0.0003","20.6506","0.0006","20.8643","0.0007","90","","98.575","0.001","90","","4604","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C40 H85 Li2 Mg2 N4 O2 -","- C40 H85 Li2 Mg2 N4 O2 -","- C160 H340 Li8 Mg8 N16 O8 -","4","2","","Hua, Yupeng; Guo, Zhiqiang; Han, Hongfei; Wei, Xuehong","N,N,O-Tridentate Mixed Lithium‒Magnesium and Lithium‒Aluminum Complexes: Synthesis, Characterization, and Catalytic Activities","Organometallics","2017","36","4","877","","10.1021/acs.organomet.6b00921","","","0.71073","MoKα","","0.1053","0.077","","","0.198","0.2214","","","","","","1.02","","","","has coordinates","193610","2020-10-21","18:00:00",""
"4087413","14.7792","0.0002","11.4141","0.0001","14.793","0.0002","90","","105.686","0.0006","90","","2402.52","0.05","190","","190","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C21 H38 N2 Ni O2 P2 -","- C21 H38 N2 Ni O2 P2 -","- C84 H152 N8 Ni4 O8 P8 -","4","2","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Weil, Matthias; Veiros, Luis F.; Kirchner, Karl","Synthesis, Structure, and Reactivity of Co(II) and Ni(II) PCP Pincer Borohydride Complexes.","Organometallics","2015","34","7","1364","1372","10.1021/acs.organomet.5b00075","","x-ray","0.71073","MoKα","","0.0385","0.0323","","","0.0329","0.0335","","","","1.48","1.48","1.36","","","","has coordinates","236785","2020-10-21","18:00:00",""
"4087704","13.5986","0.0008","13.4025","0.0007","18.1802","0.0017","90","","109.437","0.008","90","","3124.6","0.4","111","2","111","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C35 H25 Fe2 O5 P W -","- C35 H25 Fe2 O5 P W -","- C140 H100 Fe8 O20 P4 W4 -","4","2","","Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Lang, Heinrich","Transition-Metal Carbonyl Complexes of 2,5-Diferrocenyl-1-phenyl-1H-phosphole","Organometallics","2015","34","17","4293","","10.1021/acs.organomet.5b00520","","","0.71073","MoKα","","0.0711","0.0562","","","0.1082","0.1177","","","","","","0.998","","","","has coordinates","236934","2020-10-21","18:00:00",""
"4087792","13.589","0.0005","17.0474","0.0006","18.647","0.0007","90","","101.682","0.002","90","","4230.2","0.3","115","","115","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C48 H58 Fe N2 P2 -","- C48 H58 Fe N2 P2 -","- C192 H232 Fe4 N8 P8 -","4","2","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","0.71073","MoKα","","0.0932","0.0706","","","0.1313","0.1468","","","","","","1.203","","","","has coordinates","237006","2020-10-21","18:00:00",""
"4088283","12.6083","0.0009","11.4037","0.0008","7.3882","0.0006","90","","96.485","0.004","90","","1055.49","0.14","200","2","200","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H9 Cl N2 -","- C13 H9 Cl N2 -","- C52 H36 Cl4 N8 -","4","2","","Wu, Hung-Chou; Chu, Jean-Ho; Li, Chin-Wei; Hwang, Long-Chih; Wu, Ming-Jung","Palladium-Catalyzed Regioselective Arylation of Pyrazolo[1,5-a]pyridines via C‒H Activation and Synthetic Applications on P38 Kinase Inhibitors","Organometallics","2016","35","2","288","","10.1021/acs.organomet.5b00988","","","0.71073","MoKα","","0.0318","0.03","","","0.0798","0.088","","","","","","1.068","","","","has coordinates","237439","2020-10-21","18:00:00",""
"4088608","18.23","0.004","11.474","0.003","16.73","0.004","90","","114.509","0.003","90","","3184.1","1.3","110","2","110","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C76 H52 Br2 Sb2 -","- C76 H52 Br2 Sb2 -","- C152 H104 Br4 Sb4 -","2","1","","Hirai, Masato; Myahkostupov, Mykhaylo; Castellano, Felix N.; Gabbaï, François P.","1-Pyrenyl- and 3-Perylenyl-antimony(V) Derivatives for the Fluorescence Turn-On Sensing of Fluoride Ions in Water at Sub-ppm Concentrations","Organometallics","2016","35","11","1854","","10.1021/acs.organomet.6b00233","","","0.71073","MoKα","","0.0507","0.0357","","","0.0911","0.1032","","","","","","0.714","","","","has coordinates,has disorder","276321","2022-06-28","14:00:35",""
"4089296","9.3545","0.0011","9.3024","0.0011","17.27","0.002","90","","101.913","0.003","90","","1470.5","0.3","100","2","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H26 Al Cl3 O P2 -","- C30 H26 Al Cl3 O P2 -","- C60 H52 Al2 Cl6 O2 P4 -","2","1","","Lifschitz, Alejo M.; Hirscher, Nathanael A.; Lee, Heui Beom; Buss, Joshua A.; Agapie, Theodor","Ethylene Tetramerization Catalysis: Effects of Aluminum-Induced Isomerization of PNP to PPN Ligands","Organometallics","2017","36","8","1640","","10.1021/acs.organomet.7b00189","","","0.71073","MoKα","","0.0364","0.0304","","","0.0793","0.0823","","","","","","1.06","","","","has coordinates,has disorder","238095","2020-10-21","18:00:00",""
"4089658","11.5989","0.0004","17.8176","0.0007","16.7145","0.0006","90","","100.135","0.004","90","","3400.4","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C33 H48 Cl N6 O6 Rh -","- C33 H48 Cl N6 O6 Rh -","- C132 H192 Cl4 N24 O24 Rh4 -","4","2","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes","Organometallics","2014","33","12","3069","","10.1021/om500332n","","","0.7107","MoKα","","0.0583","0.0432","","","0.0817","0.0855","","","","","","1.095","","","","has coordinates","243716","2020-10-21","18:00:00",""
"4101047","15.6624","0.0007","9.2361","0.0003","24.696","0.0007","90","","100.937","0.0016","90","","3507.6","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C29 H54 N2 O2 Si4 W -","- C29 H52 N2 O2 Si4 W -","- C116 H208 N8 O8 Si16 W4 -","4","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056715p","","","","","","","","","","","","","","","","","","","","","has coordinates","178756","2020-10-21","18:00:00",""
"4101882","18.014","0.0002","27.2308","0.0005","19.7247","0.0003","90","","92.588","0.001","90","","9665.8","0.3","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C30 H138 K9 Mo23 N5 O113 S24 -","- C30 H30 K9 Mo23 N5 O113 S24 -","- C60 H60 K18 Mo46 N10 O226 S48 -","2","1","","Sylvain Duval; Sébastien Floquet; Corine Simonnet-Jégat; Jérôme Marrot; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Mohamed Haouas; Francis Taulelle; Emmanuel Cadot","Capture of the [Mo~3~S~4~]^4+^ Cluster within a {Mo~18~} Macrocycle Yielding a Supramolecular Assembly Stabilized by a Dynamic H-Bond Network","Journal of the American Chemical Society","2010","132","","2069","2077","10.1021/ja909762p","","","0.71073","MoKα","","0.0633","0.0512","","","0.1405","0.1474","","","","","","1.059","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4102047","11.682","0.002","5.9021","0.0007","11.8231","0.0019","90","","90.446","0.013","90","","815.2","0.2","100","","100","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- As Na Se2 -","- As Na Se2 -","- As8 Na8 Se16 -","8","4","","Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2010","132","","3484","3495","10.1021/ja9094846","","","0.71073","MoKα","","0.0653","0.0501","","","0.1169","0.1363","","","","","","1.13","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102503","16.193","0.002","18.918","0.003","24.58","0.003","90","","90.428","0.002","90","","7529.6","1.8","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C40 H46 O2 S4 -","- C40 H46 O2 S4 -","- C320 H368 O16 S32 -","8","4","","Eric L. Dane; Sarah B. King; Timothy M. Swager","Conjugated Polymers That Respond to Oxidation with Increased Emission","Journal of the American Chemical Society","2010","132","","7758","7768","10.1021/ja1019063","","","0.71073","MoKα","","0.0998","0.0619","","","0.1413","0.1675","","","","","","1.018","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4103004","10.4435","0.0014","15.405","0.002","14.9862","0.0019","90","","110.245","0.002","90","","2262.1","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 c 1","P -2yc","7","jonmg19","","","- C20 H34 N2 Ni P2 S -","- C20 H34 N2 Ni P2 S -","- C80 H136 N8 Ni4 P8 S4 -","4","2","","Matthew R. Grochowski; Ting Li; William W. Brennessel; William D. Jones","Competitive Carbon-Sulfur vs Carbon-Carbon Bond Activation of 2-Cyanothiophene with [Ni(dippe)H]2","Journal of the American Chemical Society","2010","132","","12412","12421","10.1021/ja104158h","","","0.71073","MoKα","","0.1083","0.0639","","","0.119","0.1374","","","","","","0.977","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103307","9.2497","0.0002","12.6393","0.0003","16.3642","0.0004","90","","100.554","0.001","90","","1880.77","0.08","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C41 H52 Cl Co N2 O2 -","- C41 H52 Cl Co N2 O2 -","- C82 H104 Cl2 Co2 N4 O4 -","2","1","","Aubrey L. Smith; Kenneth I. Hardcastle; Jake D. Soper","Redox-Active Ligand-Mediated Oxidative Addition and Reductive Elimination at Square Planar Cobalt(III): Multielectron Reactions for Cross-Coupling","Journal of the American Chemical Society","2010","132","","14358","14360","10.1021/ja106212w","","","0.71073","MoKα","","0.0538","0.0471","","","0.1105","0.1154","","","","","","1.055","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4105031","6.7107","0.0017","9.115","0.002","8.674","0.002","90","0.008","96.851","0.003","90","0.006","526.8","0.2","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- As F9 O Xe3 -","- As F9 O Xe3 -","- As2 F18 O2 Xe6 -","2","1","","Michael Gerken; Matthew D. Moran; Hélène P. A. Mercier; Bernard E. Pointner; Gary J. Schrobilgen; Berthold Hoge; Karl O. Christe; Jerry A. Boatz","On the XeF+/H2O System: Synthesis and Characterization of the Xenon(II) Oxide Fluoride Cation, FXeOXeFXeF+","Journal of the American Chemical Society","2009","131","","13474","13489","10.1021/ja905060v","","","0.71073","MoKα","","0.0501","0.046","","","0.1272","0.1311","","","","","","1.03","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105065","16.4174","0.001","12.8384","0.0008","17.5249","0.0011","90","","90.174","0.001","90","","3693.8","0.4","153","2","153","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C34 H54 Ga Si3 U -","- C34 H54 Ga Si3 U -","- C136 H216 Ga4 Si12 U4 -","4","2","","Stefan G. Minasian; Jamin L. Krinsky; Jeffrey D. Rinehart; Roy Copping; Tolek Tyliszczak; Markus Janousch; David K. Shuh; John Arnold","A Comparison of 4f vs 5f Metal-Metal Bonds in (CpSiMe3)3M-ECp* (M = Nd, U; E = Al, Ga; Cp* = C5Me5): Synthesis, Thermodynamics, Magnetism, and Electronic Structure","Journal of the American Chemical Society","2009","131","","13767","13783","10.1021/ja904565j","","","0.71073","MoKα","","0.0516","0.0419","","","0.0774","0.082","","","","","","0.997","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105195","14.7891","0.0015","10.9697","0.0011","13.8057","0.0015","90","","111.807","0.002","90","","2079.5","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H64 As N4 P5 Si4 -","- C24 H64 As0.934 N4 P4.934 Si4 -","- C48 H128 As1.868 N8 P9.868 Si8 -","2","1","","Brandi M. Cossairt; Christopher C. Cummins","Properties and Reactivity Patterns of AsP3: An Experimental and Computational Study of Group 15 Elemental Molecules","Journal of the American Chemical Society","2009","131","","15501","15511","10.1021/ja906294m","","","0.71073","MoKα","","0.0741","0.0513","","","0.1123","0.1258","","","","","","1.032","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4106834","9.6483","0.0005","11.9539","0.0006","8.5468","0.0004","90","","101.684","0.003","90","","965.32","0.08","273","2","273","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H24 Cl5 N3 O -","- C13 H24 Cl5 N3 O -","- C26 H48 Cl10 N6 O2 -","2","1","","Guang-Peng Wu; Sheng-Hsuan Wei; Wei-Min Ren; Xiao-Bing Lu; Tie-Qi Xu; Donald J. Darensbourg","Perfectly Alternating Copolymerization of CO2 and Epichlorohydrin Using Cobalt(III)-Based Catalyst Systems","Journal of the American Chemical Society","2011","133","","15191","15199","10.1021/ja206425j","","","0.71073","MoKα","","0.0393","0.0381","","","0.0988","0.1002","","","","","","1.037","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106872","22.6739","0.0018","11.2846","0.0009","15.9956","0.0012","90","","91.738","0.003","90","","4090.8","0.6","103","2","103","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C35 H48 Au Cl2 F6 N4 Sb -","- C35 H48 Au Cl2 F6 N4 Sb -","- C140 H192 Au4 Cl8 F24 N16 Sb4 -","4","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0805","0.0641","","","0.1606","0.1745","","","","","","1.051","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4107343","24.2852","0.0013","8.8145","0.0005","23.9509","0.0013","90","","111.97","0.003","90","","4754.7","0.5","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C80 H180 O7 Si6 Ta2 -","- C80 H172 O7 Si6 Ta2 -","- C160 H344 O14 Si12 Ta4 -","2","1","","Kurt F. Hirsekorn; Elliott B. Hulley; Peter T. Wolczanski; Thomas R. Cundari","Olefin Substitution in (silox)3M(olefin) (silox =tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity","Journal of the American Chemical Society","2008","130","","1183","1196","10.1021/ja074972j","","","0.71073","MoKα","","0.0484","0.0312","","","0.0616","0.0651","","","","","","1.015","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4108157","16.516","0.006","12.874","0.004","17.54","0.006","90","","90.255","0.005","90","","3729","2","156","2","156","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C34 H54 Al Si3 U -","- C34 H54 Al Si3 U -","- C136 H216 Al4 Si12 U4 -","4","2","","Stefan G. Minasian; Jamin L. Krinsky; Valerie A. Williams; John Arnold","A Heterobimetallic Complex With an Unsupported Uranium(III)-Aluminum(I) Bond: (CpSiMe3)3U-AlCp* (Cp* = C5Me5)","Journal of the American Chemical Society","2008","130","","10086","10087","10.1021/ja8042382","","","0.71073","MoKα","","0.061","0.0372","","","0.0577","0.0604","","","","","","0.664","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108352","10.219","0.003","6.4631","0.0017","14.713","0.004","90","","102.359","0.004","90","","949.2","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H27 N O3 Si -","- C19 H27 N O3 Si -","- C38 H54 N2 O6 Si2 -","2","1","","Joshua N. Payette; Hisashi Yamamoto","Nitrosobenzene-Mediated C-C Bond Cleavage Reactions and Spectral Observation of an Oxazetidin-4-one Ring System","Journal of the American Chemical Society","2008","130","","12276","12278","10.1021/ja804325f","","","0.71073","MoKα","","0.0386","0.0356","","","0.0767","0.0781","","","","","","0.94","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4109147","11.737","0.0002","17.826","0.0006","22.719","0.0006","90","","91.642","0.002","90","","4751.4","0.2","120","","120","","","","","","","","","3","P 1 c 1","P -2yc","7","","Si3C-bicyclo[1.1.0]butane","","- C37 H86 Si7 -","- C37 H86 Si7 -","- C148 H344 Si28 -","4","2","","Vladimir Ya. Lee; Hiroyuki Yasuda; Akira Sekiguchi","Interplay of EnE'3-nC Valence Isomers (E, E' = Si, Ge): Bicyclo[1.1.0]butanes with Very Short Bridging Bonds and Their Isomerization to Alkyl-Substituted Cyclopropenes","Journal of the American Chemical Society","2007","129","","2436","2437","10.1021/ja068229n","","","0.7107","MoKα","","0.0381","0.037","","","0.1012","0.1024","","","","","","1.083","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109259","18.445","0.007","9.743","0.004","12.405","0.005","90","","98.965","0.007","90","","2202.1","1.5","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","Boc-Ac6c-Gpn-OH","","","- C21 H36 N2 O5 -","- C21 H36 N2 O5 -","- C84 H144 N8 O20 -","4","2","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0753","0.0699","","","0.169","0.1734","","","","","","1.128","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109963","9.1474","0.0008","18.2345","0.0016","12.1173","0.001","90","","111.935","0.004","90","","1874.8","0.3","133","2","133","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C17 H29 N3 Si -","- C17 H29 N3 Si -","- C68 H116 N12 Si4 -","4","2","","Cheuk-Wai So; Herbert W. Roesky; Prabhuodeyara M. Gurubasavaraj; Rainer B. Oswald; Michael T. Gamer; Peter G. Jones; Steffen Blaurock","Synthesis and Structures of Heteroleptic Silylenes","Journal of the American Chemical Society","2007","129","","12049","12054","10.1021/ja074019e","","","0.71073","MoKα","","0.0935","0.0493","","","0.072","0.0798","","","","","","0.881","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4111033","11.7699","0.0001","17.4973","0.0002","16.1714","0.0001","90","","108.201","0.001","90","","3163.73","0.05","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C81 H72 O6 -","- C81 H72 O6 -","- C162 H144 O12 -","2","1","","Jye-Shane Yang; Jyu-Lun Yan; Chung-Yu Hwang; Shih-Yi Chiou; Kang-Ling Liau; Hui-Hsu Gavin Tsai; Gene-Hsiang Lee; Shie-Ming Peng","Probing the Intrachain and Interchain Effects on the Fluorescence Behavior of Pentiptycene-Derived Oligo(p-phenyleneethynylene)s","Journal of the American Chemical Society","2006","128","","14109","14119","10.1021/ja0640389","","","0.71073","MoKα","","0.1244","0.0973","","","0.2443","0.2673","","","","","","1.041","","","","has coordinates,has disorder","178881","2020-10-21","18:00:00",""
"4111403","8.2137","0.0008","14.215","0.002","7.9909","0.001","90","","99.816","0.009","90","","919.3","0.2","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H25 K N2 O8 -","- C13 H25 K N2 O8 -","- C26 H50 K2 N4 O16 -","2","1","","Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand","Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding","Journal of the American Chemical Society","2005","127","","1360","1361","10.1021/ja042877u","","","0.71073","MoKα","","0.0478","0.0395","","0.1122","0.1033","","","","1.105","1.106","1.106","","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111553","17.2749","0.0002","11.4652","0.0001","17.4982","0.0002","90","","106.88","0.001","90","","3316.38","0.06","100","2","100","2","","","","","","","synthesized","4","P 1 c 1","P -2yc","7","","","","- C36 H50 B2 Ru2 -","- C36 H50 B2 Ru2 -","- C144 H200 B8 Ru8 -","4","2","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0344","0.0282","","","0.058","0.0595","","","","","","0.994","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4112102","10.727","0.006","12.871","0.007","16.3","0.009","90","","98.068","0.01","90","","2228","2","213","2","213","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C49 H65 Al N3 -","- C49 H65 Al N3 -","- C98 H130 Al2 N6 -","2","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Quinten Knijnenburg; Bas de Bruin; Peter H. M. Budzelaar","Formation of a Paramagnetic Al Complex and Extrusion of Fe during the Reaction of (Diiminepyridine)Fe with AlR3 (R = Me, Et)","Journal of the American Chemical Society","2005","127","","17204","17206","10.1021/ja056135s","","","0.71073","MoKα","","0.1492","0.0758","","","0.136","0.1612","","","","","","1.04","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112304","16.087","0.002","4.6626","0.0007","15.988","0.002","90","","108.26","0.003","90","","1138.8","0.3","193","2","193","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C18 H10 O -","- C18 H10 O -","- C72 H40 O4 -","4","2","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.0951","0.0513","","","0.1172","0.1363","","","","","","0.889","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112746","10.1387","0.0005","14.0357","0.0008","19.3833","0.0011","90","","90.108","0.002","90","","2758.3","0.3","150","1","150","1","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C64 H55 N Ni O P3 S3 Se -","- C64 H55 N Ni O P3 S3 Se -","- C128 H110 N2 Ni2 O2 P6 S6 Se2 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0704","0.0526","","","0.1014","0.1168","","","","","","1.029","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112747","10.1789","0.0001","13.9338","0.0001","19.1972","0.0002","90","","91.5874","0.0003","90","","2721.71","0.04","150","1","150","1","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C62 H53 N Ni O P3 S5 -","- C62 H53 N Ni O P3 S5 -","- C124 H106 N2 Ni2 O2 P6 S10 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0645","0.0486","","","0.1142","0.1341","","","","","","1.096","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4114090","20.247","0.004","13.113","0.003","25.482","0.005","90","","108.31","0.03","90","","6423","3","301","2","301","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C54 H100 Au Cl N2 O2 P4 Pd -","- C54 H90.5 Au Cl N2 O2 P4 Pd -","- C216 H362 Au4 Cl4 N8 O8 P16 Pd4 -","4","2","","Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou","Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations","Journal of the American Chemical Society","2003","125","","10362","10374","10.1021/ja0355325","","","0.71073","MoKα","","0.0592","0.0453","","","0.1254","0.1431","","","","","","1.003","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114140","7.1274","0.0005","12.509","0.0012","11.997","0.003","90","","91.19","0.012","90","","1069.4","0.3","143","","143","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C4 H8 Al Cl4 Cu -","- C4 H8 Al Cl4 Cu -","- C16 H32 Al4 Cl16 Cu4 -","4","2","","Roger M. Sullivan; Haiming Liu; D. Steve Smith; Jonathan C. Hanson; Derek Osterhout; Michael Ciraolo; Clare P. Grey; James D. Martin","Sorptive Reconstruction of the CuAlCl4 Framework upon Reversible Ethylene Binding","Journal of the American Chemical Society","2003","125","","11065","11079","10.1021/ja036172o","","","0.71073","MolybdenumKα","","0.035","0.035","","0.04","0.04","","","","","1.21","1.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114388","13.682","0.003","5.2619","0.0011","8.1916","0.0016","90","","107.28","0.03","90","","563.1","0.2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-(4-aminophenethyl)phenol","","- C14 H15 N O -","- C14 H15 N O -","- C28 H30 N2 O2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0448","0.0405","","","0.1087","0.1137","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114390","15.7888","0.0016","5.2088","0.0006","8.3399","0.0008","90","","100.912","0.005","90","","673.48","0.12","105","2","105","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-[4-(4-aminophenyl)butyl]phenol","","- C16 H19 N O -","- C16 H19 N O -","- C32 H38 N2 O2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0615","0.0418","","","0.0921","0.1038","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114391","14.9554","0.0009","11.237","0.0008","8.6841","0.0006","90","","90.893","0.003","90","","1459.22","0.17","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-[5-(4-aminophenyl)pentyl]phenol","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","2","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0418","0.0355","","","0.0885","0.0938","","","","","","1.033","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114393","13.844","0.003","5.1626","0.001","8.2485","0.0016","90","","107.22","0.03","90","","563.1","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-(4-aminobenzylsulfamyl)phenol","","- C13 H13 N O S -","- C13 H13 N O S -","- C26 H26 N2 O2 S2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","1.54178","CuKα","","0.0497","0.0435","","","0.117","0.1259","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114394","13.7422","0.0012","5.1725","0.0004","8.3055","0.0007","90","","105.548","0.004","90","","568.76","0.08","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-(4-aminophenylsulfamylmethyl)phenol","","- C13 H13 N O S -","- C13 H13 N O S -","- C26 H26 N2 O2 S2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0533","0.0402","","","0.0841","0.0882","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114396","12.6341","0.0009","5.8636","0.0004","8.5671","0.0005","90","","90.351","0.003","90","","634.65","0.07","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-[2-(4-aminophenylsulfamyl)ethyl]phenol","","- C14 H15 N O S -","- C14 H15 N O S -","- C28 H30 N2 O2 S2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0337","0.0322","","","0.0822","0.0835","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114397","12.951","0.008","5.226","0.003","8.046","0.003","90","","98.12","0.03","90","","539.1","0.5","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-[(E)-2-(4-aminophenyl)-1-ethenyl]phenol","","- C14 H13 N O -","- C14 H13 N O -","- C28 H26 N2 O2 -","2","1","","Venu R. Vangala; Balakrishna R. Bhogala; Archan Dey; Gautam R. Desiraju; Charlotte K. Broder; Philip S. Smith; Raju Mondal; Judith A. K. Howard; Chick C. Wilson","Correspondence between Molecular Functionality and Crystal Structures. Supramolecular Chemistry of a Family of Homologated Aminophenols","Journal of the American Chemical Society","2003","125","","14495","14509","10.1021/ja037227p","","","0.71073","MoKα","","0.0554","0.0392","","","0.0996","0.1122","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114514","13.8856","0.001","10.1279","0.0007","18.5327","0.0013","90","","95.925","0.002","90","","2592.4","0.3","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","[Fe(III)OMTPP(1-MeIm)2]Cl","bis{1-methylimidazole}octamethyltetraphenylporphinato Iron(III) chloride","","- C61 H58 Cl3 Fe N8 -","- C60.999 H58 Cl2.998 Fe N8 -","- C121.998 H116 Cl5.996 Fe2 N16 -","2","1","","Liliya A. Yatsunyk; Michael D. Carducci; F. Ann Walker","Low-Spin Ferriheme Models of the Cytochromes: Correlation of Molecular Structure with EPR Spectral Type","Journal of the American Chemical Society","2003","125","","15986","16005","10.1021/ja036398r","","","0.71073","MoKα","","0.069","0.0505","","","0.12","0.1331","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4115327","12.592","0.0004","5.616","0.0002","17.032","0.0006","90","","117.165","0.0013","90","","1071.59","0.06","130","2","130","2","","","","","","","","3","P 1 c 1","P -2yc","7","DPAENE-ligand","DPAENE-ligand","","- C26 H22 As2 -","- C26 H22 As2 -","- C52 H44 As4 -","2","1","","Brenden Carlsen; Gregory D. Phelan; Werner Kaminsky; Larry R. Dalton; Xuezhong Jiang; Sen Liu; Alex K-Y. Jen","Divalent Osmium Complexes: Synthesis, Characterization, Strong Red Phosphorescence, and Electrophosphorescence","Journal of the American Chemical Society","2002","124","","14162","14172","10.1021/ja0176705","","","0.71073","MoKα","","0.0431","0.0376","","","0.0851","0.0872","","","","","","1.069","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115384","25.6986","0.0015","35.504","0.003","29.214","0.002","90","","100.573","0.003","90","","26202","3","147","2","147","2","","","","","","","synthetic","6","P 1 c 1","P -2yc","7","","","","- C130 H325 Cu70 O P21 Se35 -","- C130 Cu70.01 O P21 Se35 -","- C520 Cu280.04 O4 P84 Se140 -","4","2","","Nathan R. M. Crawford; Allan G. Hee; Jeffrey R. Long","Cluster Synthesis via Ligand-Arrested Solid Growth: Triethylphosphine-Capped Fragments of Binary Metal Chalcogenides","Journal of the American Chemical Society","2002","124","","14842","14843","10.1021/ja027862f","","","0.71073","MoKα","","0.3223","0.1581","","","0.34","0.4339","","","","","","1.313","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115469","15.134","0.003","47.621","0.008","22.431","0.004","90","","91.947","0.002","90","","16157","5","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C324 H368 B8 Cl4 La4 N20 O52 -","- C324 H278 B8 Cl4 La4 N20 O52 -","- C648 H556 B16 Cl8 La8 N40 O104 -","2","1","","De-Liang Long; Alexander J. Blake; Neil R. Champness; Claire Wilson; Martin Schröder","Lanthanum Coordination Networks Based on Unusual Five-Connected Topologies","Journal of the American Chemical Society","2001","123","","3401","3402","10.1021/ja0030461","","","0.71073","MoKα","","0.111","0.091","","","0.22","0.23","","","","","","1.11","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116228","15.2634","0.0006","6.7949","0.0002","9.3479","0.0003","90","","104.269","0.002","90","","939.59","0.06","228","2","228","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C42 H48 N4 O4 -","2","1","","P. Andrew Evans; Thara Manangan; Arnold L. Rheingold","Stereoselective Construction of trans-Disubstituted Azabicycles Using Oxauracil as a Novel Free Radical Acceptor","Journal of the American Chemical Society","2000","122","","11009","11010","10.1021/ja0020308","","","0.71073","MoKα","","0.0611","0.0465","","0.136","0.1107","","","","1.023","1.036","1.036","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4117346","7.378","0.0015","11.193","0.002","41.95","0.008","90","","90.21","0.03","90","","3464.3","1.1","373","2","373","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","4","","Allan, Kevin M.; Kobayashi, Kenichi; Rawal, Viresh H.","A Unified Route to the Welwitindolinone Alkaloids: Total Syntheses of (-)-N-Methylwelwitindolinone C Isothiocyanate, (-)-N-Methylwelwitindolinone C Isonitrile, and (-)-3-Hydroxy-N-methylwelwitindolinone C Isothiocyanate","Journal of the American Chemical Society","2012","134","3","1392","1395","10.1021/ja210793x","","","0.71073","MoKα","","0.1265","0.0638","","","0.097","0.1149","","","","","","0.771","","","","has coordinates","219251","2020-10-21","18:00:00",""
"4117522","7.6205","0.0003","21.0602","0.001","9.6221","0.0003","90","","91.877","0.002","90","","1543.42","0.11","150","1","150","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H12 Br2 Te -","- C16 H12 Br2 Te -","- C64 H48 Br8 Te4 -","4","2","","Theresa M. McCormick; Ashlee A. Jahnke; Alan J. Lough; Dwight S. Seferos","Tellurophenes with Delocalized π-Systems and Their Extended Valence Adducts","Journal of the American Chemical Society","2012","134","","3542","3548","10.1021/ja210763n","","","0.71073","MoKα","","0.0928","0.0507","","","0.1105","0.1325","","","","","","1.052","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117653","9.8396","0.0003","10.9979","0.0003","15.9861","0.0004","90","","97.7476","0.0012","90","","1714.14","0.08","150","2","150","2","","","","","","","","10","P 1 c 1","P -2yc","7","","","","- C28 H50 B Cl2 F3 N O P2 Rh S -","- C28 H50 B Cl2 F3 N O P2 Rh S -","- C56 H100 B2 Cl4 F6 N2 O2 P4 Rh2 S2 -","2","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0433","0.0377","","","0.0758","0.0787","","","","","","1.037","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4118273","14.3076","0.0006","11.5924","0.0004","20.845","0.001","90","","133.274","0.003","90","","2517.2","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H16 K4 Mo10 O39 S8 -","- C4 K4 Mo10 O39 S8 -","- C8 K8 Mo20 O78 S16 -","2","1","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0367","0.0349","","","0.0773","0.0794","","","","","","1.153","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118420","13.1666","0.0007","26.4092","0.0016","10.3219","0.0006","90","","111.782","0.004","90","","3332.9","0.3","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31 H55 Cl2 In N2 O2 -","- C31 H55 Cl2 In N2 O2 -","- C124 H220 Cl8 In4 N8 O8 -","4","2","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0992","0.0701","","","0.177","0.1991","","","","","","1.009","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4119432","11.225","0.0013","12.0227","0.0017","28.2128","0.0012","90","","90.458","0.003","90","","3807.3","0.7","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C61 H69 Al F36 O4 P -","- C61 H69 Al F36 O4 P -","- C122 H138 Al2 F72 O8 P2 -","2","1","","Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang","Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations","Journal of the American Chemical Society","2013","135","","3414","3417","10.1021/ja4012113","","","0.71073","MoKα","","0.0906","0.0542","","","0.1367","0.1423","","","","","","1.032","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119817","9.079","0.0005","36.296","0.002","6.5673","0.0003","90","","108.441","0.003","90","","2053","0.19","103","2","103","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H19 N O5 -","- C26 H19 N O5 -","- C104 H76 N4 O20 -","4","2","","Weidong Rao; Ming Joo Koh; Dan Li; Hajime Hirao; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,6-Diyne Carbonates and Esters to 2,4a-Dihydro-1H-fluorenes","Journal of the American Chemical Society","2013","135","","7926","7932","10.1021/ja4032727","","","0.71073","MoKα","","0.0639","0.0514","","","0.125","0.1462","","","","","","1.124","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4120272","8.515","0.0002","13.6712","0.0004","12.9404","0.0004","90","","94.875","0.001","90","","1500.95","0.07","100","2","100","2","","","","","","","","9","P 1 c 1","P -2yc","7","","[(mu-NO2)(Br)Co(Medoen)Mg(Me3TACN)]PF6","","- C19 H37 Br Co F6 Mg N8 O4 P -","- C19 H37 Br0.8717 Co F6 Mg N8.1283 O4.2566 P -","- C38 H74 Br1.7434 Co2 F12 Mg2 N16.2566 O8.5132 P2 -","2","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.0356","0.0275","","","0.0762","0.0842","","","","","","0.607","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4121299","8.8552","0.0015","22.8039","0.0037","12.669","0.00022","90","","110.323","0.0016","90","","2399","0.6","143.15","0.02","143.15","0.02","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- B12 Be12 Li Na5 O33 -","- B12 Be12 Li Na5 O33 -","- B48 Be48 Li4 Na20 O132 -","4","2","","Hongwei Huang; Lijuan Liu; Shifeng Jin; Wenjiao Yao; Yihe Zhang; Chuangtian Chen","Deep-Ultraviolet Nonlinear Optical Materials: Na2Be4B4O11 and LiNa5Be12B12O33","Journal of the American Chemical Society","2013","135","","18319","18322","10.1021/ja410543w","","x-ray","0.71069","MoKα","","0.0557","0.0459","","","0.0481","0.0528","","","","1.2","1.2","1.19","","","","has coordinates","286259","2023-09-07","06:04:45",""
"4121746","9.4966","0.0007","10.2364","0.0009","12.0587","0.0011","90","","104.097","0.003","90","","1136.94","0.17","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H13 Cl2 N O -","- C10 H13 Cl2 N O -","- C40 H52 Cl8 N4 O4 -","4","2","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0393","0.033","","","0.0672","0.0705","","","","","","1.037","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121993","8.6814","0.0002","7.3122","0.0002","13.837","0.0004","90","","128.498","0.002","90","","687.44","0.04","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Ba2 O15 P5 Rb -","- Ba2 O15 P5 Rb -","- Ba4 O30 P10 Rb2 -","2","1","","Zhao, Sangen; Gong, Pifu; Luo, Siyang; Bai, Lei; Lin, Zheshuai; Ji, Chengmin; Chen, Tianliang; Hong, Maochun; Luo, Junhua","Deep-Ultraviolet Transparent Phosphates RbBa2(PO3)5 and Rb2Ba3(P2O7)2 Show Nonlinear Optical Activity from Condensation of [PO4](3-) Units.","Journal of the American Chemical Society","2014","136","24","8560","8563","10.1021/ja504319x","","","0.71073","MoKα","","0.0275","0.0266","","","0.0598","0.0604","","","","","","1.033","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4122163","6.2112","0.0004","20.6287","0.0014","14.9542","0.0011","90","","92.209","0.001","90","","1914.6","0.2","200","2","200","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H29 N2 P -","- C20 H29 N2 P -","- C80 H116 N8 P4 -","4","2","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0389","0.0338","","","0.0903","0.0942","","","","","","1.022","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4123796","16.116","0.003","26.333","0.005","12.366","0.003","90","","100.46","0.03","90","","5160.7","1.9","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C208 H264 N8 O64 -","8","4","","Diethelm, Stefan; Carreira, Erick M.","Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction.","Journal of the American Chemical Society","2015","137","18","6084","6096","10.1021/jacs.5b02574","","","0.71073","MoKα","","0.1583","0.1106","","","0.2444","0.2632","","","","","","1.481","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124405","8.1777","0.0003","17.5288","0.0006","18.6171","0.0006","90","","101.375","0.002","90","","2616.25","0.16","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C21 H44 B2 N2 O7 -","- C21 H44 B2 N2 O7 -","- C84 H176 B8 N8 O28 -","4","2","","Wu, Hao; Garcia, Jeannette M.; Haeffner, Fredrik; Radomkit, Suttipol; Zhugralin, Adil R.; Hoveyda, Amir H.","Mechanism of NHC-Catalyzed Conjugate Additions of Diboron and Borosilane Reagents to α,β-Unsaturated Carbonyl Compounds.","Journal of the American Chemical Society","2015","","","150811140748006","","10.1021/jacs.5b06745","","","1.54178","CuKα","","0.0315","0.0309","","","0.0815","0.0823","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4125806","11.142","0.002","36.046","0.007","36.238","0.007","90","","90.06","0.03","90","","14554","5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H36 Fe O3 P2 -","- C22 H36 Fe O3 P2 -","- C528 H864 Fe24 O72 P48 -","24","12","","Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity.","Journal of the American Chemical Society","2017","139","7","2799","2807","10.1021/jacs.6b13050","","","0.8","","","0.0991","0.0933","","","0.2589","0.2746","","","","","","1.132","","","","has coordinates,has disorder","193164","2020-10-21","18:00:00",""
"4125824","16.2149","0.0005","19.0932","0.0006","11.5026","0.0003","90","","106.996","0.001","90","","3405.61","0.18","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H55 Co N O4 P2 -","- C30 H55 Co N O4 P2 -","- C120 H220 Co4 N4 O16 P8 -","4","2","","Obligacion, Jennifer V.; Bezdek, Máté J; Chirik, Paul J.","C(sp(2))-H Borylation of Fluorinated Arenes Using an Air-Stable Cobalt Precatalyst: Electronically Enhanced Site Selectivity Enables Synthetic Opportunities.","Journal of the American Chemical Society","2017","139","7","2825","2832","10.1021/jacs.6b13346","","","1.54178","CuKα","","0.0398","0.0388","","","0.1027","0.1035","","","","","","1.209","","","","has coordinates","193180","2020-10-21","18:00:00",""
"4125872","7.1818","0.0004","10.1423","0.0006","14.485","0.0008","90","","91.667","0.002","90","","1054.64","0.1","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C18 H17 Cl2 Co N4 O8 -","- C18 H17 Cl2 Co N4 O8 -","- C36 H34 Cl4 Co2 N8 O16 -","2","1","","Waldie, Kate M.; Ramakrishnan, Srinivasan; Kim, Sung-Kwan; Maclaren, Jana K.; Chidsey, Christopher E. D.; Waymouth, Robert M.","Multielectron Transfer at Cobalt: Influence of the Phenylazopyridine Ligand.","Journal of the American Chemical Society","2017","139","12","4540","4550","10.1021/jacs.7b01047","","x-ray","0.71073","MoKα","","0.028","0.0247","","","0.0546","0.056","","","","","","1.039","","","","has coordinates","194848","2020-10-21","18:00:00",""
"4126101","7.465","0.003","14.687","0.006","6.709","0.003","90","","103.79","0.007","90","","714.4","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H7 B F N -","- C8 H7 B F N -","- C32 H28 B4 F4 N4 -","4","2","","Liu, Zhiqiang; Ishibashi, Jacob S. A.; Darrigan, Clovis; Dargelos, Alain; Chrostowska, Anna; Li, Bo; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes.","Journal of the American Chemical Society","2017","139","17","6082","6085","10.1021/jacs.7b02661","","","0.71073","MoKα","","0.0468","0.0403","","","0.1094","0.1176","","","","","","1.066","","","","has coordinates","197250","2020-10-21","18:00:00",""
"4126138","12.916","0.003","7.5579","0.0017","25.872","0.005","90","","99.551","0.009","90","","2490.6","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C112 H96 N16 O24 S8 -","8","4","","Kornahrens, Anne F.; Cognetta, 3rd, Armand B; Brody, Daniel M.; Matthews, Megan L.; Cravatt, Benjamin F.; Boger, Dale L.","Design of Benzoxathiazin-3-one 1,1-Dioxides as a New Class of Irreversible Serine Hydrolase Inhibitors: Discovery of a Uniquely Selective PNPLA4 Inhibitor.","Journal of the American Chemical Society","2017","139","20","7052","7061","10.1021/jacs.7b02985","","","0.71073","MoKα","","0.123","0.0849","","","0.2013","0.2263","","","","","","1.116","","","","has coordinates","197274","2020-10-21","18:00:00",""
"4126252","36.365","0.007","49.686","0.01","46.097","0.009","90","","105.91","0.03","90","","80099","3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C613 H632.66 Cl36 F32 N96 O96.33 -","- C594.004 H535.504 Cl36.012 F32 N96 O96.3355 -","- C2376.02 H2142.02 Cl144.048 F128 N384 O385.342 -","4","2","","Wang, Xiang; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Orchestrating Directional Molecular Motions: Kinetically Controlled Supramolecular Pathways of a Helical Host on Rodlike Guests.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04884","","","0.85","synchrotron","","0.2018","0.1607","","","0.392","0.4326","","","","","","1.605","","","","has coordinates,has disorder","198263","2020-10-21","18:00:00",""
"4126534","10.7496","0.00008","10.45685","0.00007","14.96661","0.00011","90","","96.4915","0.0007","90","","1671.56","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H24 Na O7 P -","- C13 H24 Na O7 P -","- C52 H96 Na4 O28 P4 -","4","2","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0309","0.0304","","","0.0822","0.0827","","","","","","1.05","","","","has coordinates,has disorder","201626","2020-10-21","18:00:00",""
"4126982","14.3752","0.0009","8.7993","0.0006","15.8616","0.0012","90","","111.282","0.002","90","","1869.5","0.2","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C15 H22 F3 N2 O3 P S -","- C15 H22 F3 N2 O3 P S -","- C60 H88 F12 N8 O12 P4 S4 -","4","2","","Rao, Bin; Chong, Che Chang; Kinjo, Rei","Metal-Free Regio- and Chemoselective Hydroboration of Pyridines Catalyzed by 1,3,2-Diazaphosphenium Triflate","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09754","","","0.71073","MoKα","","0.1572","0.071","","","0.1052","0.132","","","","","","1.035","","","","has coordinates","204764","2020-10-21","18:00:00",""
"4127131","12.587","0.005","12.708","0.005","18.55","0.008","90","","101.244","0.014","90","","2910","2","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C48 H70 F6 N2 Sb -","- C48 H70 F6 N2 Sb -","- C96 H140 F12 N4 Sb2 -","2","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","Organic Mixed Valence Compounds Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11184","","x-ray","0.71073","MoKα","","0.0306","0.0279","","","0.0678","0.069","","","","","","1.039","","","","has coordinates","206046","2020-10-21","18:00:00",""
"4127722","16.24","0.0007","9.0384","0.0005","8.8082","0.0016","90","","97.619","0.007","90","","1281.5","0.3","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H16 I7 N3 Pb2 -","- C7 H16 I7 N3 Pb2 -","- C14 H32 I14 N6 Pb4 -","2","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.1281","0.0944","","","0.164","0.1676","","","","3.78","3.78","3.17","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127724","28.8181","0.001","9.0332","0.0014","8.882","0.003","90","","94.138","0.009","90","","2306.1","0.9","298","","298","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C9 H28 I13 N5 Pb4 -","- C9 H28 I13 N5 Pb4 -","- C18 H56 I26 N10 Pb8 -","2","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71013","MoKα","","0.2114","0.1234","","","0.1619","0.1632","","","","7.07","7.07","4.8","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127727","23.175","0.003","8.8255","0.0007","8.8238","0.0009","90","","90.0045","","90","","1804.7","0.3","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H22 I10 N4 Pb3 -","- C8 H22 I10 N4 Pb3 -","- C16 H44 I20 N8 Pb6 -","2","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0764","0.0522","","","0.0757","0.0765","","","","4.17","4.17","3.46","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4128314","10.5315","0.0002","12.5444","0.0003","12.5572","0.0003","90","","89.99","","90","","1658.95","0.06","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","j095","","","- C12 H32 I8 N4 Pb2 -","- C12 H32 I8 N4 Pb2 -","- C24 H64 I16 N8 Pb4 -","2","1","","Park, In-Hyeok; Zhang, Qiannan; Kwon, Ki Chang; Zhu, Ziyu; Yu, Wei; Leng, Kai; Giovanni, David; Choi, Hwa Seob; Abdelwahab, Ibrahim; Xu, Qing-Hua; Sum, Tze Chien; Loh, Kian Ping","Ferroelectricity and Rashba Effect in a Two-Dimensional Dion-Jacobson Hybrid Organic-Inorganic Perovskite.","Journal of the American Chemical Society","2019","141","40","15972","15976","10.1021/jacs.9b07776","","","0.71073","MoKα","","0.0983","0.0956","","","0.2236","0.2254","","","","","","1.005","","","","has coordinates","221437","2020-10-21","18:00:00",""
"4128386","39.454","0.0007","8.9418","0.0006","8.893","0.003","90","","93.698","0.004","90","","3130.8","1.1","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Pentylammonium Methylammonium Lead iodide","","","- C14 H52 I16 N6 Pb5 -","- C14 H52 I16 N6 Pb5 -","- C28 H104 I32 N12 Pb10 -","2","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.1338","0.1045","","","0.2664","0.2765","","","","2.91","2.91","2.5","","","","has coordinates","221507","2020-10-21","18:00:00",""
"4128389","26.9783","0.0002","8.954","0.0002","8.8757","0.0006","90","","95.5426","0.0009","90","","2134.02","0.15","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Pentylammonium Methylammonium Lead iodide","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C24 H80 I20 N8 Pb6 -","2","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0571","0.0432","","","0.1222","0.127","","","","2.13","2.13","1.93","","","","has coordinates","221510","2020-10-21","18:00:00",""
"4128390","28.1426","0.0002","8.9413","0.0001","8.9025","0.0005","90","","94.5632","0.001","90","","2233.05","0.13","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Hexylammonium Methylammonium Lead iodide","","","- C14 H44 I10 N4 Pb3 -","- C14 H44 I10 N4 Pb3 -","- C28 H88 I20 N8 Pb6 -","2","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0815","0.0519","","","0.1369","0.1496","","","","1.66","1.66","1.47","","","","has coordinates","221511","2020-10-21","18:00:00",""
"4129721","9.349","0.005","9.148","0.005","16.448","0.006","90","","123.32","0.02","90","","1175.5","1","120","2","120","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C16 H24 F6 Fe N4 O6 S2 -","- C16 H24 F6 Fe N4 O6 S2 -","- C32 H48 F12 Fe2 N8 O12 S4 -","2","1","","Serrano-Plana, Joan; Oloo, Williamson N.; Acosta-Rueda, Laura; Meier, Katlyn K.; Verdejo, Begoña; García-España, Enrique; Basallote, Manuel G.; Münck, Eckard; Que, Jr, Lawrence; Company, Anna; Costas, Miquel","Trapping a Highly Reactive Nonheme Iron Intermediate That Oxygenates Strong C-H Bonds with Stereoretention.","Journal of the American Chemical Society","2015","137","50","15833","15842","10.1021/jacs.5b09904","","","0.71069","MoKα","","0.0535","0.0412","","","0.0966","0.1182","","","","","","1.105","","","","has coordinates","240389","2020-10-21","18:00:00",""
"4129824","8.057","0.0003","21.129","0.0007","13.0753","0.0005","90","","99.567","0.002","90","","2194.93","0.14","200","2","200","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0544","0.0328","","","0.0564","0.0621","","","","","","1.016","","","","has coordinates,has disorder","240477","2020-10-21","18:00:00",""
"4129825","7.9438","0.0006","20.923","0.002","13.0731","0.0012","90","","99.508","0.006","90","","2143","0.3","103","2","103","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0242","0.0201","","","0.0359","0.0369","","","","","","1.019","","","","has coordinates","240478","2020-10-21","18:00:00",""
"4129831","8.0353","0.0004","21.0755","0.0009","13.084","0.0006","90","","99.573","0.002","90","","2184.89","0.18","143","2","143","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0402","0.0309","","","0.0615","0.065","","","","","","1.02","","","","has coordinates","240484","2020-10-21","18:00:00",""
"4129832","8.0881","0.0003","21.1918","0.0008","13.0834","0.0005","90","","99.594","0.002","90","","2211.15","0.14","220","2","220","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.1076","0.0372","","","0.0594","0.0729","","","","","","0.996","","","","has coordinates,has disorder","240485","2020-10-21","18:00:00",""
"4129834","7.9746","0.0004","20.9827","0.0009","13.0699","0.0006","90","","99.556","0.001","90","","2156.62","0.17","143","2","143","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0311","0.0259","","","0.0439","0.0454","","","","","","1.01","","","","has coordinates","240487","2020-10-21","18:00:00",""
"4130798","5.945","0.0008","7.244","0.0011","40.577","0.007","90","","91.345","0.014","90","","1747","0.5","93","","93","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","2","","Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi","Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.","Journal of the American Chemical Society","2016","138","35","11335","11343","10.1021/jacs.6b06877","","","0.71073","MoKα","","0.129","0.0678","","","0.1212","0.1421","","","","","","0.985","","","","has coordinates","241162","2020-10-21","18:00:00",""
"4130829","9.5745","0.0006","17.2047","0.0012","12.0212","0.0008","90","","103.504","0.003","90","","1925.5","0.2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","KK3-106-3","sarpong132","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","2","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.029","0.0286","","","0.0756","0.076","","","","","","1.048","","","","has coordinates","241189","2020-10-21","18:00:00",""
"4130832","6.7971","0.0003","17.5258","0.0008","8.2107","0.0003","90","","91.635","0.002","90","","977.7","0.07","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","KK2-168","sarpong124","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C46 H58 N2 O10 -","2","1","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.0252","0.0251","","","0.0636","0.0636","","","","","","1.052","","","","has coordinates","241192","2020-10-21","18:00:00",""
"4131548","18.6367","0.00014","5.74782","0.00003","17.8054","0.00012","90","","116.878","0.0009","90","","1701.28","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","2","","Hao, Wei; Wu, Xiangyu; Sun, James Z.; Siu, Juno C.; MacMillan, Samantha N.; Lin, Song","Radical Redox-Relay Catalysis: Formal [3+2] Cycloaddition of N-Acylaziridines and Alkenes.","Journal of the American Chemical Society","2017","139","35","12141","12144","10.1021/jacs.7b06723","","x-ray","1.54184","CuKα","","0.0197","0.0197","","","0.0529","0.0529","","","","","","1.045","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4132104","9.6022","0.0002","17.0018","0.0002","17.6771","0.0003","90","","102.232","0.002","90","","2820.35","0.09","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C63 H63 N11 O7 -","- C63 H63 N11 O7 -","- C126 H126 N22 O14 -","2","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.0586","0.0478","","","0.0917","0.097","","","","","","1.017","","","","has coordinates","242147","2020-10-21","18:00:00",""
"4132759","18.9374","0.0003","19.0517","0.0004","20.3855","0.0004","90","","106.369","0.008","90","","7056.8","0.4","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C78 H88.34 F12 N8 O2.17 P2 -","- C78 H88.344 F12 N8 O2.172 P2 -","- C312 H353.376 F48 N32 O8.688 P8 -","4","2","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Shiotari, Akitoshi; Sugimoto, Yoshiaki; Ohara, Keishi; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, Structures, and Properties of Core-Expanded Azacoronene Analogue: A Twisted π-System with Two N-Doped Heptagons.","Journal of the American Chemical Society","2018","140","33","10430","10434","10.1021/jacs.8b06079","","","1.54187","CuKα","","0.0454","0.0399","","","0.0968","0.0993","","","","","","1.077","","","","has coordinates,has disorder","242667","2020-10-21","18:00:00",""
"4132770","27.498","0.006","7.6508","0.0018","15.583","0.004","90","","90.715","0.006","90","","3278.1","1.3","183","2","183","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","4","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.1484","0.1179","","","0.3162","0.3419","","","","","","1.314","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4132981","25.686","0.005","8.9106","0.0013","8.9159","0.0013","90","","100.024","0.0015","90","","2009.5","0.6","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H34 I10 N4 Pb3 -","- C10 H34 I10 N4 Pb3 -","- C20 H68 I20 N8 Pb6 -","2","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1204","0.0836","","","0.165","0.1705","","","","3.71","3.71","2.98","","","","has coordinates","242833","2020-10-21","18:00:00",""
"4132982","26.4807","0.0009","8.915","0.007","8.9145","0.0008","90","","99.6902","","90","","2074.5","1.6","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H36 I10 N4 Pb3 -","- C11 H36 I10 N4 Pb3 -","- C22 H72 I20 N8 Pb6 -","2","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.081","0.048","","","0.0854","0.0904","","","","1.97","1.97","1.66","","","","has coordinates","242834","2020-10-21","18:00:00",""
"4133073","6.5384","0.0007","19.201","0.002","12.6755","0.0014","90","","92.199","0.002","90","","1590.2","0.3","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","bis(mu2-2,2,2',2'-tetramethyl-1,3-benzenedipropanoato-O,O')-aqua-rhodium- bismuth","","- C32 H41.44 Bi O9 Rh -","- C32 H41.4366 Bi O9 Rh -","- C64 H82.8732 Bi2 O18 Rh2 -","2","1","","Collins, Lee R.; van Gastel, Maurice; Neese, Frank; Fürstner, Alois","Enhanced Electrophilicity of Heterobimetallic Bi-Rh Paddlewheel Carbene Complexes: A Combined Experimental, Spectroscopic, and Computational Study.","Journal of the American Chemical Society","2018","140","40","13042","13055","10.1021/jacs.8b08384","","","0.71073","Mo-Kα","","0.0476","0.0418","","","0.0872","0.0887","","","","","","1.223","","","","has coordinates,has disorder","242919","2020-10-21","18:00:00",""
"4133145","10.536","0.002","12.415","0.002","16.43","0.003","90","","96.77","0.03","90","","2134.1","0.7","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H16 Br4 N2 Pb -","- C6 H16 Br4 N2 Pb -","- C36 H96 Br24 N12 Pb6 -","6","3","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.137","0.0575","","","0.1332","0.1807","","","","","","0.862","","","","has coordinates","242980","2020-10-21","18:00:00",""
"4133902","24.1829","0.0008","11.061","0.0003","24.7085","0.0008","90","","112.408","0.002","90","","6110.2","0.3","100","2","100","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C54.5 H74.5 B Cu F3 N2 O3 Si -","- C54.503 H74.506 B Cu F3 N2 O3 Si -","- C218.012 H298.024 B4 Cu4 F12 N8 O12 Si4 -","4","2","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0704","0.0643","","","0.1762","0.1825","","","","","","1.067","","","","has coordinates,has disorder","246498","2020-10-21","18:00:00",""
"4134005","11.6718","0.0005","13.9968","0.0007","17.3742","0.0009","90","","94.633","0.002","90","","2829.1","0.2","100","2","100.01","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C54 H45 F16 N2 O8 P2 S4 -","- C54 H45 F16 N2 O8 P2 S4 -","- C108 H90 F32 N4 O16 P4 S8 -","2","1","","Mandal, Dipendu; Gupta, Richa; Jaiswal, Amit K.; Young, Rowan D.","Frustrated Lewis pair meditated selective single fluoride substitution in trifluoromethyl groups.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12167","","x-ray","0.71073","MoKα","","0.0643","0.0549","","","0.1436","0.1515","","","","","","1.045","","","","has coordinates,has disorder","247142","2020-10-21","18:00:00",""
"4134812","16.138","0.003","11.909","0.002","11.905","0.002","90","","90","0.03","90","","2288","0.7","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H21 Br7 N4 Pb2 -","- C7 H21 Br7 N4 Pb2 -","- C28 H84 Br28 N16 Pb8 -","4","2","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.2444","0.0633","","","0.1319","0.1907","","","","","","0.771","","","","has coordinates","251229","2020-10-21","18:00:00",""
"4134814","16.0142","0.0012","8.4185","0.0007","8.4164","0.0006","90","","90.024","0.003","90","","1134.66","0.15","293","2","292.93","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H26 Br7 N4 Pb2 -","- C7 H16 Br7 N3 Pb2 -","- C14 H32 Br14 N6 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0638","0.0448","","","0.14","0.1565","","","","","","1.065","","","","has coordinates","251231","2020-10-21","18:00:00",""
"4134817","16.193","0.002","8.3678","0.0011","8.3469","0.001","90","","89.921","0.006","90","","1131","0.2","293","2","293.01","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H0.5 Br7 N3 Pb2 -","- C7 H16 Br7 N3 Pb2 -","- C14 H32 Br14 N6 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0767","0.0576","","","0.169","0.1851","","","","","","1.07","","","","has coordinates","251234","2020-10-21","18:00:00",""
"4134818","16.0382","0.0013","8.4484","0.0007","8.4494","0.0006","90","","89.994","0.0015","90","","1144.87","0.16","298","2","297.98","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H21 Br7 N4 Pb2 -","- C7 H21 Br7 N4 Pb2 -","- C14 H42 Br14 N8 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.0768","0.0505","","","0.1528","0.1757","","","","","","1.048","","","","has coordinates","251235","2020-10-21","18:00:00",""
"4134819","15.952","0.003","8.4134","0.0017","8.4135","0.0017","90","","90.07","0.03","90","","1129.2","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H22 Br7 N3 Pb2 -","- C7 H22 Br7 N3 Pb2 -","- C14 H44 Br14 N6 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.1276","0.0897","","","0.2695","0.3089","","","","","","1.071","","","","has coordinates","251236","2020-10-21","18:00:00",""
"4135087","4.2017","0.0004","11.1768","0.001","14.222","0.0012","90","","95.403","0.005","90","","664.92","0.1","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H8 Cl N3 O3 -","- C13 H8 Cl N3 O3 -","- C26 H16 Cl2 N6 O6 -","2","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0734","0.0601","","","0.1661","0.1808","","","","","","1.056","","","","has coordinates","253417","2020-10-21","18:00:00",""
"4135376","3.3823","0.0001","5.453","0.0003","9.2505","0.0004","90","","96.88","0.004","90","","169.385","0.013","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C H F0 Na O4 Zn -","- C H Na O4 Zn -","- C2 H2 Na2 O8 Zn2 -","2","1","","Peng, Guang; Lin, Chensheng; Ye, Ning","NaZnCO3(OH): A High-Performance Carbonate Ultraviolet Nonlinear Optical Crystal Derived from KBe2BO3F2","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09866","","","1.3405","GaKα","","0.0198","0.0198","","","0.0501","0.0501","","","","","","1.12","","","","has coordinates","259252","2020-11-25","23:43:32",""
"4300230","3.599","0.001","7.279","0.001","13.938","0.002","90","","93.27","0.02","90","","364.54","0.12","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","Aminoguanidinium Dinitramide, monoclinic (alpha) polymorph","","- C H7 N7 O4 -","- C H7 N7 O4 -","- C2 H14 N14 O8 -","2","1","","Michael E. Sitzmann; Richard Gilardi; Ray J. Butcher; William M. Koppes; Alfred G. Stern; Joseph S. Thrasher; Nirupam J. Trivedi; Zhen-Yu Yang","Pentafluorosulfanylnitramide Salts","Inorganic Chemistry","2000","39","","843","850","10.1021/ic991281i","","","1.54178","CuKα","","0.0353","0.0348","","","0.0836","0.0848","","","","","","1.153","","","","has coordinates","120081","2020-10-21","18:00:00",""
"4301433","6.504","0.0014","9.059","0.002","14.156","0.003","90","","103.28","","90","","811.8","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H10 Cu2 N6 O -","- C14 H10 Cu2 N6 O -","- C28 H20 Cu4 N12 O2 -","2","1","","Wen-Xiu Ni; Mian Li; Shun-Ze Zhan; Jin-Zhang Hou; Dan Li","In Situ Immobilization of Metalloligands: A Synthetic Route to Homometallic Mixed-Valence Coordination Polymers","Inorganic Chemistry","2009","48","","1433","1441","10.1021/ic8015244","","","0.71073","MoKα","","0.0575","0.0454","","","0.0998","0.106","","","","","","1.019","","","","has coordinates,has disorder","179052","2020-10-21","18:00:00",""
"4301739","13.7108","0.0019","8.9694","0.0012","20.0612","0.0018","90","","121.313","0.006","90","","2107.7","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","[Cu2(DEDMG)2{N(TMS)2}2]2 (1)","","","- C26 H68 Cu4 N8 Si4 -","- C26 H68 Cu4 N8 Si4 -","- C52 H136 Cu8 N16 Si8 -","2","1","","Scott D. Bunge; Jennifer L. Steele","Synthesis and Characterization of Group 11 1,1,3,3-Tetraalkylguanidinate (TAG) Clusters: [M2(μ-TAG){μ-N(SiMe3)2}]2 (M = Cu, Ag, and Au)","Inorganic Chemistry","2009","48","","2701","2706","10.1021/ic802291u","","","0.71073","MoKα","","0.0183","0.0178","","","0.0468","0.0471","","","","","","1.018","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301953","6.667","0.004","8.151","0.004","10.411","0.006","90","","97.949","0.008","90","","560.3","0.5","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C2 H10 Al B5 N2 O10 -","- C2 H10 Al B5 N2 O10 -","- C4 H20 Al2 B10 N4 O20 -","2","1","","Cheng Rong; Zhiwu Yu; Qiang Wang; Shou-Tian Zheng; Chun-Yang Pan; Feng Deng; Guo-Yu Yang","Aluminoborates with Open Frameworks: Syntheses, Structures, and Properties","Inorganic Chemistry","2009","48","","3650","3659","10.1021/ic802124v","","","0.71073","MoKα","","0.0407","0.0357","","","0.0814","0.0843","","","","","","1.052","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4301999","4.828","0.001","8.2319","0.0016","10.598","0.002","90","","96.09","0.03","90","","418.83","0.14","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C8 H4 Co0.04 N4 O2 Zn0.96 -","- C8 H4 Co0.04 N4 O2 Zn0.96 -","- C16 H8 Co0.08 N8 O4 Zn1.92 -","2","1","","Wei-Chao Song; Jian-Rong Li; Peng-Chao Song; Ying Tao; Qun Yu; Xiao-Lan Tong; Xian-He Bu","Tuning the Framework Topologies of CoII-Doped ZnII-Tetrazole-benzoate Coordination Polymers by Ligand Modifications: Structures and Spectral Studies","Inorganic Chemistry","2009","48","","3792","3799","10.1021/ic802438n","","","0.71073","MoKα","","0.0269","0.0237","","","0.0441","0.0448","","","","","","0.948","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4303561","17.61","0.002","13.5961","0.0014","19.795","0.002","90","","103.658","0.003","90","","4605.4","0.8","100.1","","","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C44 H52 Mo N O10 P S4 -","- C44 H52 Mo N O10 P S4 -","- C176 H208 Mo4 N4 O40 P4 S16 -","4","2","","Hideki Sugimoto; Susumu Tatemoto; Koichiro Suyama; Hiroyuki Miyake; Shinobu Itoh; Chao Dong; Jing Yang; Martin L. Kirk","Dioxomolybdenum(VI) Complexes with Ene-1,2-dithiolate Ligands: Synthesis, Spectroscopy, and Oxygen Atom Transfer Reactivity","Inorganic Chemistry","2009","48","","10581","10590","10.1021/ic901112s","","","0.7107","MoKα","","","0.047","","","","0.1265","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303576","11.115","0.002","35.667","0.006","17.5","0.003","90","","99.111","0.004","90","","6850","2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C58 H98 Ni2 P4 S4 -","- C58 H98 Ni2 P4 S4 -","- C232 H392 Ni8 P16 S16 -","4","2","","Kuppuswamy Arumugam; Mohamed C. Shaw; P. Chandrasekaran; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue","Synthesis, Structures, and Properties of 1,2,4,5-Benzenetetrathiolate Linked Group 10 Metal Complexes","Inorganic Chemistry","2009","48","","10591","10607","10.1021/ic901257s","","","0.71073","MoKα","","0.1422","0.081","","","0.1589","0.1759","","","","","","1.005","","","","has coordinates,has disorder","179073","2020-10-21","18:00:00",""
"4304808","12.026","0.002","41.317","0.008","18.332","0.004","90","","103.98","0.03","90","","8839","3","113","2","113","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C29 H26 Cl2 N4 O9 Zn -","- C29 H26 Cl2 N4 O9 Zn -","- C348 H312 Cl24 N48 O108 Zn12 -","12","6","","Lin Xue; Huan-Huan Wang; Xiao-Jun Wang; Hua Jiang","Modulating Affinities of Di-2-picolylamine (DPA)-Substituted Quinoline Sensors for Zinc Ions by Varying Pendant Ligands","Inorganic Chemistry","2008","47","","4310","4318","10.1021/ic702393z","","x-ray","0.71073","MoKα","","0.084","0.0666","","","0.1433","0.1543","","","","","","1.045","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4305161","9.6959","0.0008","9.4803","0.0008","18.3259","0.0012","90","","115.168","0.003","90","","1524.6","0.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C35 H30 N8 O2 Ru -","- C35 H30 N8 O2 Ru -","- C70 H60 N16 O4 Ru2 -","2","1","","Ying Cui; Yan-Li Niu; Man-Li Cao; Ke Wang; Hao-Jun Mo; Yong-Rui Zhong; Bao-Hui Ye","Ruthenium(II) 2,2'-Bibenzimidazole Complex as a Second-Sphere Receptor for Anions Interaction and Colorimeter","Inorganic Chemistry","2008","47","","5616","5624","10.1021/ic702050b","","","0.71073","MoKα","","0.037","0.035","","","0.0771","0.0781","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4305168","18.893","0.004","9.7035","0.0019","15.489","0.003","90","","102.79","0.03","90","","2769.1","1","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H24 Ir N5 O2 -","- C33 H24 Ir N5 O2 -","- C132 H96 Ir4 N20 O8 -","4","2","","Zhiwei Liu; Zuqiang Bian; Jiang Bian; Zhendong Li; Daobo Nie; Chunhui Huang","Acetonitrile-Vapor-Induced Color and Luminescence Changes in a Cyclometalated Heteroleptic Iridium Complex","Inorganic Chemistry","2008","47","","8025","8030","10.1021/ic702141h","","","0.71073","MoKα","","0.0524","0.0427","","","0.0913","0.1092","","","","","","1.07","","","","has coordinates,has disorder","179089","2020-10-21","18:00:00",""
"4305828","4.8244","0.0005","8.2293","0.0011","10.5946","0.001","90","","96.162","0.008","90","","418.19","0.08","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","[Zn(tzba)]n","[Zn(tzba)]n","","- C8 H4 N4 O2 Zn -","- C8 H4 N4 O2 Zn -","- C16 H8 N8 O4 Zn2 -","2","1","","Yan Li; Gang Xu; Wen-Qiang Zou; Ming-Sheng Wang; Fa-Kun Zheng; Mei-Feng Wu; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang","A Novel Metal-Organic Network with High Thermal Stability: Nonlinear Optical and Photoluminescent Properties","Inorganic Chemistry","2008","47","","7945","7947","10.1021/ic800761h","","","0.71073","MoKα","","0.0248","0.024","","","0.0658","0.0666","","","","","","1.006","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305962","11.115","0.002","35.667","0.006","17.5","0.003","90","","99.111","0.004","90","","6850","2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C58 H98 Ni2 P4 S4 -","- C58 H98 Ni2 P4 S4 -","- C232 H392 Ni8 P16 S16 -","4","2","","Kuppuswamy Arumugam; Rongmin Yu; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue","A Convergent Approach to the Synthesis of Multimetallic Dithiolene Complexes","Inorganic Chemistry","2008","47","","5570","5572","10.1021/ic800880s","","","0.71073","MoKα","","0.1422","0.081","","","0.1589","0.1759","","","","","","1.005","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4306992","7.5752","0.0008","12.311","0.0004","16.698","0.002","90","","93.465","0.006","90","","1554.4","0.3","293","","293","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H38 Cl2 Cu2 N6 O12 -","- C22 H28 Cl2 Cu2 N6 O12 -","- C44 H56 Cl4 Cu4 N12 O24 -","2","1","","Gianluca Ambrosi; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Modulating the M-M Distance in Dinuclear Complexes. New Ligand with a 2,2'-Biphenol Fragment as Key Unit: Synthesis, Coordination Behavior, and Crystal Structures of Cu(II) and Zn(II) Dinuclear Complexes","Inorganic Chemistry","2007","46","","309","320","10.1021/ic061474n","","","1.5418","CuKα","","0.1215","0.0565","","","0.1377","0.1653","","","","","","0.887","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4308272","9.9176","0.0004","17.9965","0.0006","20.9666","0.0008","90","","92.445","0.002","90","","3738.8","0.2","243","2","243","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C F20 O4 Te4 -","- C0.99925 F20 O4 Te3.997 -","- C7.994 F160 O32 Te31.976 -","8","4","","Matthew D. Moran; Hélène P. A. Mercier; Gary J. Schrobilgen","Synthesis and Structural Characterization of C(OTeF5)4 and a Comparative Structural Study of the Isoelectronic B(OTeF5)4- Anion","Inorganic Chemistry","2007","46","","5034","5045","10.1021/ic700362g","","","0.71073","MoKα","","0.0852","0.053","","","0.0879","0.0944","","","","","","1.28","","","","has coordinates,has disorder","179120","2020-10-21","18:00:00",""
"4309343","26.8264","0.0011","10.0284","0.0004","18.2538","0.0007","90","","108.624","0.001","90","","4653.6","0.3","150","1","150","1","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C50 H38 Fe N5 O2 P2 S4 -","- C50 H38 Fe N5 O2 P2 S4 -","- C200 H152 Fe4 N20 O8 P8 S16 -","4","2","","Fu-Te Tsai; Show-Jen Chiou; Ming-Che Tsai; Ming-Li Tsai; Hsiao-Wen Huang; Ming-Hsi Chiang; Wen-Feng Liaw","Dinitrosyl Iron Complexes (DNICs) [L2Fe(NO)2]- (L = Thiolate): Interconversion among {Fe(NO)2}9 DNICs, {Fe(NO)2}10 DNICs, and [2Fe-2S] Clusters, and the Critical Role of the Thiolate Ligands in Regulating NO Release of DNICs","Inorganic Chemistry","2005","44","","5872","5881","10.1021/ic0505044","","","0.71073","MoKα","","0.1049","0.0629","","","0.1154","0.1465","","","","","","1.028","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4310573","17.972","0.005","10.191","0.003","27.936","0.008","90","","115.441","0.004","90","","4620","2","110","2","110","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C78 H68 Ag4 Cl4 F12 N4 O16 P4 S4 -","- C78 H68 Ag4 Cl4 F12 N4 O16 P4 S4 -","- C156 H136 Ag8 Cl8 F24 N8 O32 P8 S8 -","2","1","","Kevin K. Klausmeyer; Rodney P. Feazell; Joseph H. Reibenspies","Two-, Three-, and Four-Coordinate Ag(I) Coordination Polymers Formed by the Novel Phosphinite PPh2(3-OCH2C5H4N)","Inorganic Chemistry","2004","43","","1130","1136","10.1021/ic035168a","","","0.71073","MoKα","","0.0693","0.0624","","","0.1531","0.1577","","","","","","1.088","","","","has coordinates,has disorder","179144","2020-10-21","18:00:00",""
"4310678","11.897","0.002","10.797","0.002","19.355","0.004","90","","100.017","0.005","90","","2448.3","0.8","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C20 H28 Cl F6 N4 P Ru -","- C20 H28 Cl F6 N4 P Ru -","- C80 H112 Cl4 F24 N16 P4 Ru4 -","4","2","","Macarena Poyatos; Elena Mas-Marzá; Mercedes Sanaú; Eduardo Peris","Synthesis and Reactivity of New Chelate-N-Heterocyclic Biscarbene Complexes of Ruthenium","Inorganic Chemistry","2004","43","","1793","1798","10.1021/ic035307o","","","0.71073","MoKα","","0.1589","0.0702","","","0.1468","0.1909","","","","","","0.957","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310877","12.012","0.0007","7.3584","0.0005","9.9143","0.0006","90","","98.022","0.001","90","","867.74","0.09","293","2","293","2","","","","","","","NiO+H2SO4+1,3-DAP+EG+H2O+HF","7","P 1 c 1","P -2yc","7","Layered NiSo4 with 1,3-DAP","","","- C3 H18 F2 N2 Ni3 O15 S3 -","- C3 H12 F2 N2 Ni3 O15 S3 -","- C6 H24 F4 N4 Ni6 O30 S6 -","2","1","","J. N. Behera; K. V. Gopalkrishnan; C. N. R. Rao","Synthesis, Structure, and Magnetic Properties of Amine-Templated Open-Framework Nickel(II) Sulfates","Inorganic Chemistry","2004","43","","2636","2642","10.1021/ic035488u","","","0.71073","MoKα","","0.0676","0.0467","","0.128","0.0999","","","","1.084","0.938","0.938","","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4311585","6.5472","0.0011","12.566","0.002","26.087","0.004","90","","96.418","0.003","90","","2132.8","0.6","110","2","110","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C42 H66 Cl Cr N2 O3 -","- C42 H66 Cl Cr N2 O3 -","- C84 H132 Cl2 Cr2 N4 O6 -","2","1","","Donald J. Darensbourg; Ryan M. Mackiewicz; Jody L. Rodgers; Cindy C. Fang; Damon R. Billodeaux; Joseph H. Reibenspies","Cyclohexene Oxide/CO2 Copolymerization Catalyzed by Chromium(III) Salen Complexes and N-Methylimidazole: Effects of Varying Salen Ligand Substituents and Relative Cocatalyst Loading","Inorganic Chemistry","2004","43","","6024","6034","10.1021/ic049182e","","","0.71073","MoKα","","0.1484","0.0873","","","0.1855","0.2237","","","","","","1.066","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311740","15.991","0.0002","5.448","0.0001","11.23","0.0003","90","","95.869","0.0007","90","","973.22","0.03","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Silver 1-naphthalenesulfonate monohydrate","","- C20 H16 Ag2 O7 S2 -","- C10 H8 Ag O3.5 S -","- C40 H32 Ag4 O14 S4 -","4","2","","Adrien P. Côté; George K. H. Shimizu","Silver(I) Arylsulfonates: A Systematic Study of ""Softer"" Hybrid Inorganic-Organic Solids","Inorganic Chemistry","2004","43","","6663","6673","10.1021/ic0491229","","","0.71073","MoKα","","0.0393","0.0312","","","0.0856","0.1006","","","","","","1.23","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4312462","7.9889","0.0009","7.8448","0.0009","23.048","0.003","90","","99.389","0.004","90","","1425.1","0.3","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C20 H18 N4 O16 Se3 V4 -","- C20 H16 N4 O16 Se3 V4 -","- C40 H32 N8 O32 Se6 V8 -","2","1","","Zhimin Dai; Zhan Shi; Guanghua Li; Dong Zhang; Wensheng Fu; Haiying Jin; Wei Xu; Shouhua Feng","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of Inorganic-Organic Hybrid Vanadium Selenites with Zero- to Three-Dimensional Structures: (1,10-Phenanthroline)2V2SeO7, (2,2'-Bipyridine)VSeO4, (4,4'-Bipyridine)V2Se2O8, and (4,4'-Bipyridine)2V4Se3O15.H2O","Inorganic Chemistry","2003","42","","7396","7402","10.1021/ic030165j","","","0.71073","MoKα","","0.0233","0.0223","","","0.0558","0.0561","","","","","","1.022","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4314014","7.318","0.002","19.066","0.005","14.128","0.004","90","","97.69","0.02","90","","1953.5","0.9","93.2","","","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H12 Br4 Fe S14 Se4 -","- C22 H8 Br4 Fe S14 Se4 -","- C44 H16 Br8 Fe2 S28 Se8 -","2","1","","Takuya Matsumoto; Yohsuke Kamada; Toyonari Sugimoto; Toshiji Tada; Satoru Noguchi; Hiroyuki Nakazumi; Motoo Shiro; Harukazu Yoshino; Keizo Murata","Electrical Conducting and Magnetic Properties of (Ethylenedithiotetrathiafulvalenothioquinone-1,3-diselenolemethide)2 .FeBr4(GaBr4) Crystals with Two Different Interlayer Arrangements of Donor Molecules","Inorganic Chemistry","2003","42","","5192","5201","10.1021/ic030083v","","","0.7107","MoKα","","","0.0469","","","","0.092","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314016","7.307","0.002","19.132","0.006","14.166","0.005","90","","98.23","0.03","90","","1960","1.1","93.2","","","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H12 Br4 Ga S14 Se4 -","- C22 H8 Br4 Ga S14 Se4 -","- C44 H16 Br8 Ga2 S28 Se8 -","2","1","","Takuya Matsumoto; Yohsuke Kamada; Toyonari Sugimoto; Toshiji Tada; Satoru Noguchi; Hiroyuki Nakazumi; Motoo Shiro; Harukazu Yoshino; Keizo Murata","Electrical Conducting and Magnetic Properties of (Ethylenedithiotetrathiafulvalenothioquinone-1,3-diselenolemethide)2 .FeBr4(GaBr4) Crystals with Two Different Interlayer Arrangements of Donor Molecules","Inorganic Chemistry","2003","42","","5192","5201","10.1021/ic030083v","","","0.7107","MoKα","","","0.0477","","","","0.1069","","","","","","0.929","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314813","11.112","0.006","19.464","0.01","27.235","0.013","90","","113.44","0.018","90","","5404","5","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C35 H0 Cl4 O39 P16 W4 -","- C43 Cl4 O43 P15.49 W4 -","- C86 Cl8 O86 P30.98 W8 -","2","1","","Jibin Sun; Sarah E. Shaner; Marya K. Jones; Daniel C. O'Hanlon; Jeffrey S. Mugridge; Michael D. Hopkins","Synthesis, Structures, Bonding, and Redox Chemistry of Ditungsten Butadiyne Complexes with W\τbC-C\τbW Backbones","Inorganic Chemistry","2010","49","","1687","1698","10.1021/ic902088x","","","0.71073","MoKα","","0.1073","0.0971","","","0.2375","0.2453","","","","","","1.126","","","","has coordinates","179228","2020-10-21","18:00:00",""
"4315293","11.276","0.003","10.216","0.003","33.954","0.01","90","","90.324","0.01","90","","3911.3","1.9","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C38 H66 F24 N10 O34 S8 U2 -","- C38 H66 F24 N10 O34 S8 U2 -","- C76 H132 F48 N20 O68 S16 U4 -","2","1","","Peter Nockemann; Rik Van Deun; Ben Thijs; Diederik Huys; Evert Vanecht; Kristof Van Hecke; Luc Van Meervelt; Koen Binnemans","Uranyl Complexes of Carboxyl-Functionalized Ionic Liquids","Inorganic Chemistry","2010","49","","3351","3360","10.1021/ic902406h","","","1.54178","CuKα","","0.0405","0.0392","","","0.0954","0.0965","","","","","","1.044","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4316272","12.487","0.005","12.478","0.005","23.57","0.01","90","","90.51","0.007","90","","3672","3","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C38 H53 B Cl Fe N5 -","- C38 H53 B Cl Fe N5 -","- C152 H212 B4 Cl4 Fe4 N20 -","4","2","","Lei Chu; Kenneth I. Hardcastle; Cora E. MacBeth","Transition Metal Complexes Supported by a Neutral Tetraamine Ligand Containing N,N-dimethylaniline Units","Inorganic Chemistry","2010","49","","7521","7529","10.1021/ic1008347","","","0.71073","MoKα","","0.0937","0.0744","","","0.2028","0.2151","","","","","","1.044","","","","has coordinates","179242","2020-10-21","18:00:00",""
"4316273","10.066","0.011","11.957","0.013","17.111","0.018","90","","99.318","0.018","90","","2032","4","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C48 H50 B Cl Fe N4 -","- C48 H50 B Cl Fe N4 -","- C96 H100 B2 Cl2 Fe2 N8 -","2","1","","Lei Chu; Kenneth I. Hardcastle; Cora E. MacBeth","Transition Metal Complexes Supported by a Neutral Tetraamine Ligand Containing N,N-dimethylaniline Units","Inorganic Chemistry","2010","49","","7521","7529","10.1021/ic1008347","","","0.71073","MoKα","","0.1963","0.0592","","","0.0791","0.111","","","","","","1.002","","","","has coordinates","179242","2020-10-21","18:00:00",""
"4316718","7.6252","0.0015","6.5114","0.0013","14.702","0.004","90","","121.24","0.02","90","","624.1","0.3","93","2","93","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Ba Ga4 Se7 -","- Ba Ga4 Se7 -","- Ba2 Ga8 Se14 -","2","1","","Jiyong Yao; Dajiang Mei; Lei Bai; Zheshuai Lin; Wenlong Yin; Peizhen Fu; Yicheng Wu","BaGa4Se7: A New Congruent-Melting IR Nonlinear Optical Material","Inorganic Chemistry","2010","49","","9212","9216","10.1021/ic1006742","","","0.71073","MoKα","","0.029","0.0275","","","0.0528","0.0532","","","","","","0.976","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316769","11.9618","0.0009","9.7039","0.0007","26.0234","0.0018","90","","97.919","0.003","90","","2991.9","0.4","172","2","172","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C26 H32 F6 N4 O3 P2 Ru -","- C26 H29.5 F6 N4 O3 P2 Ru -","- C104 H118 F24 N16 O12 P8 Ru4 -","4","2","","Jinzhu Chen; David J. Szalda; Etsuko Fujita; Carol Creutz","Iron(II) and Ruthenium(II) Complexes Containing P, N, and H Ligands: Structure, Spectroscopy, Electrochemistry, and Reactivity","Inorganic Chemistry","2010","49","","9380","9391","10.1021/ic101077t","","","0.71073","MoKα","","0.0527","0.0446","","","0.1097","0.1155","","","","","","1.038","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316976","10.2632","0.0016","30.851","0.005","11.4269","0.0018","90","","104.555","0.003","90","","3502","1","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C34 H23 Cu F12 N3 O6 -","- C34 H23 Cu F12 N3 O6 -","- C136 H92 Cu4 F48 N12 O24 -","4","2","","Sharew Adugna; Kseniya Revunova; Brandon Djukic; Serge I. Gorelsky; Hilary A. Jenkins; Martin T. Lemaire","Persistent Metal Bis(Hexafluoroacetylacetonato) Complexes Featuring a 2,2'-Bipyridine Substituted Triarylamminium Radical Cation","Inorganic Chemistry","2010","49","","10183","10190","10.1021/ic101471u","","","0.71073","MoKα","","0.1131","0.0848","","","0.2111","0.2239","","","","","","1.422","","","","has coordinates,has disorder","179249","2020-10-21","18:00:00",""
"4321450","22.844","0.002","8.668","0.001","16.216","0.002","90","","100.11","0.01","90","","3161.1","0.6","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C8 H18 F6 N4 O S2 -","- C8 H18 F6 N4 O S2 -","- C64 H144 F48 N32 O8 S16 -","8","4","","Enno Lork; Detlef Viets; Rüdiger Mews; Heinz Oberhammer","Reactions of (Carbonylimido)sulfur(IV) Derivatives with TAS-Fluoride, (Me2N)3S+Me3SiF2-","Inorganic Chemistry","2000","39","","4838","4842","10.1021/ic0002824","","","0.71073","MoKα","","0.1393","0.0838","","","0.2088","0.254","","","","","","1.055","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4322623","10.236","0.001","10.129","0.001","19.251","0.001","90","","92.27","0.01","90","","1994.4","0.3","173","2","173","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C38 H36 F6 Fe N8 O6 S2 -","- C38 H36 F6 Fe N8 O6 S2 -","- C76 H72 F12 Fe2 N16 O12 S4 -","2","1","","Alain Diebold; Karl S. Hagen","Iron(II) Polyamine Chemistry: Variation of Spin State and Coordination Number in Solid State and Solution with Iron(II) Tris(2-pyridylmethyl)amine Complexes","Inorganic Chemistry","1998","37","","215","223","10.1021/ic971105e","","","1.54178","CuKα","","0.0504","0.0464","","0.1205","0.1173","","","","1.016","1.027","1.027","","","","","has coordinates","179329","2020-10-21","18:00:00",""
"4322898","25.737","0.004","14.009","0.001","26.479","0.003","90","","149.56","0.02","90","","4837","3","203","2","203","2","","","","","","","","5","P 1 c 1","P -2yc","7","","[Tc2(20ane-S6-OH)(CO)6](tosylate)2 x MeOH","","- C35 H46 O14 S8 Tc2 -","- C35 H46 O14 S8 Tc2 -","- C140 H184 O56 S32 Tc8 -","4","2","","Roger Schibli; Roger Alberto; Ulrich Abram; Sonja Abram; André Egli; P. August Schubiger; Thomas A. Kaden","Structural and 99Tc NMR Investigations of Complexes with fac-[Tc(CO)3]+ Moieties and Macrocyclic Thioethers of Various Ring Sizes: Synthesis and X-ray Structure of the Complexes fac-[Tc(9-ane-S3)(CO)3]Br, fac-[Tc2(tosylate)2(18-ane-S6)(CO)6], and fac-[Tc2(20-ane-S6-OH)(CO)6][tosylate]2","Inorganic Chemistry","1998","37","","3509","3516","10.1021/ic980112f","","","0.71073","MoKa","","0.1152","0.0725","","0.2239","0.1792","","","","1.04","1.056","1.056","","","","","has coordinates","179331","2020-10-21","18:00:00",""
"4324410","11.9498","0.0011","9.762","0.0009","13.2618","0.0016","90","","118.581","0.001","90","","1358.5","0.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(μ~2~-(ferrocen-1,1'-diyl)-bis(ethoxy-methylidene)-C,C')- bis(η~5~-cyclopentadienyl-dicarbonyl-chromium)","","- C30 H28 Fe Mn2 O6 -","- C30 H28 Fe Mn2 O6 -","- C60 H56 Fe2 Mn4 O12 -","2","1","","Daniela I. Bezuidenhout; Simon Lotz; Marilé Landman; David C. Liles","Synthesis, Characterization, and Structural Studies of Multimetallic Ferrocenyl Carbene Complexes of Group VII Transition Metals","Inorganic Chemistry","2011","50","","1521","1533","10.1021/ic101784w","","","0.71073","MoKα","","0.0385","0.0318","","","0.0788","0.0841","","","","","","1.064","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324862","16.8733","0.0018","11.4891","0.0013","22.71","0.003","90","","93.959","0.003","90","","4392","0.9","100","0.5","100","0.5","","","","","","","","7","P 1 c 1","P -2yc","7","[CrCyclam(C2MeEDT)2]OTf","","","- C33 H38 Cr F3 N4 O3 S13 -","- C33 H38 Cr F3 N4 O3 S13 -","- C132 H152 Cr4 F12 N16 O12 S52 -","4","2","","Junichi Nishijo; Ken Judai; Nobuyuki Nishi","Weak Ferromagnetism and Strong Spin-Spin Interaction Mediated by the Mixed-Valence Ethynyltetrathiafulvalene-Type Ligand","Inorganic Chemistry","2011","50","","3464","3470","10.1021/ic102384s","","","0.71073","MoKα","","0.1561","0.1471","","","0.3903","0.3965","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324908","16.407","0.003","11.215","0.002","13.841","0.003","90","","107.76","0.03","90","","2425.4","0.9","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","ZHAO1798","","","- C16 H44 B3 N O7 -","- C16 H44 B3 N O7 -","- C64 H176 B12 N4 O28 -","4","2","","Zhenguo Huang; Xuenian Chen; Teshome Yisgedu; Edward A. Meyers; Sheldon G. Shore; Ji-Cheng Zhao","Ammonium Octahydrotriborate (NH4B3H8): New Synthesis, Structure, and Hydrolytic Hydrogen Release","Inorganic Chemistry","2011","50","","3738","3742","10.1021/ic2000987","","","0.71073","MoKα","","0.0805","0.0476","","","0.0964","0.1095","","","","","","1.023","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4326778","9.8714","0.0019","10.0395","0.0019","19.241","0.003","90","","120.723","0.007","90","","1639.2","0.5","100","1","100","1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C21 H48 Fe3 Mo N3 S7 -","- C21 H48 Fe3 Mo N3 S7 -","- C42 H96 Fe6 Mo2 N6 S14 -","2","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.1325","0.0973","","","0.201","0.2201","","","","","","1.035","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4327766","14.545","0.003","6.432","0.002","11.973","0.002","90","","93.11","0.02","90","","1118.5","0.5","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","tris(tetrazol-1-ylmethyl)methane","","- C7 H10 N12 -","- C7 H10 N12 -","- C28 H40 N48 -","4","2","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0431","0.0345","","","0.0794","0.083","","","","","","1","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4328763","6.958","0.0014","7.024","0.0014","11.346","0.002","90","","90.1","0.03","90","","554.51","0.18","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- B6 Ba3 H2 O13 -","- B6 Ba3 H2 O13 -","- B12 Ba6 H4 O26 -","2","1","","Carla Heyward; Colin McMillen; Joseph Kolis","Hydrothermal Synthesis and Crystal Structure of Two New Hydrated Alkaline Earth Metal Borates Sr3B6O11(OH)2 and Ba3B6O11(OH)2","Inorganic Chemistry","2012","51","","3956","3962","10.1021/ic202316t","","","0.71073","MoKα","","0.0243","0.0237","","","0.0563","0.0565","","","","","","1.117","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4329015","7.9847","0.0004","7.823","0.0004","16.5567","0.0007","90","","90.829","0.003","90","","1034.09","0.09","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","choline copper trichloride","choline copper trichloride","","- C5 H14 Cl3 Cu N O -","- C5 H14 Cl3 Cu N O -","- C20 H56 Cl12 Cu4 N4 O4 -","4","2","","Peter De Vreese; Neil R. Brooks; Kristof Van Hecke; Luc Van Meervelt; Edward Matthijs; Koen Binnemans; Rik Van Deun","Speciation of Copper(II) Complexes in an Ionic Liquid Based on Choline Chloride and in Choline Chloride/Water Mixtures","Inorganic Chemistry","2012","51","","4972","4981","10.1021/ic202341m","","","1.54178","CuKα","","0.0376","0.0357","","","0.0741","0.0749","","","","","","1.049","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329344","7.4","0.0012","14.615","0.003","14.175","0.003","90","","99.541","0.014","90","","1511.8","0.5","180","2","180","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H22 Cd N8 O4 -","- C30 H22 Cd N8 O4 -","- C60 H44 Cd2 N16 O8 -","2","1","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0753","0.0467","","","0.1098","0.1349","","","","","","0.896","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329753","9.3759","0.0002","10.4558","0.0002","12.5447","0.0002","90","","106.632","0.002","90","","1178.34","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 c 1","P -2yc","7","","poly-{[(mu-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O'-bis- (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- diacuadilanthanum(III)]hydrate}","","- C18 H12 La2 N6 O15 -","- C18 H12 La2 N6 O15 -","- C36 H24 La4 N12 O30 -","2","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román","Synthetic Control to Achieve Lanthanide(III)/Pyrimidine-4,6-dicarboxylate Compounds by Preventing Oxalate Formation: Structural, Magnetic, and Luminescent Properties","Inorganic Chemistry","2012","51","","7875","7888","10.1021/ic3009392","","","0.71073","MoKα","","0.0353","0.0268","","","0.0534","0.0589","","","","","","0.97","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329754","9.3148","0.0002","10.3964","0.0002","12.4509","0.0003","90","","106.685","0.003","90","","1154.99","0.05","100","2","100","2","","","","","","","synthesis as described","5","P 1 c 1","P -2yc","7","","poly-{[(mu-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O'-bis- (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- diacuadicerium(III)]hydrate}","","- C18 H12 Ce2 N6 O15 -","- C18 H12 Ce2 N6 O15 -","- C36 H24 Ce4 N12 O30 -","2","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román","Synthetic Control to Achieve Lanthanide(III)/Pyrimidine-4,6-dicarboxylate Compounds by Preventing Oxalate Formation: Structural, Magnetic, and Luminescent Properties","Inorganic Chemistry","2012","51","","7875","7888","10.1021/ic3009392","","","1.5418","CuKα","","0.0232","0.022","","","0.0503","0.0512","","","","1.24","1.24","1.22","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4330362","5.27982","0.00014","7.80594","0.00021","13.16341","0.00042","90","","112.865","0.0016","90","","499.89","0.03","298","","298","","","","","","","","","6","P 1 c 1","P -2yc","7","","catena-(4,4'-bipyrazolyl)-ag(i) tetrafluoborate","","- C6 H6 Ag B F4 N4 -","- C6 H6 Ag B F4 N4 -","- C12 H12 Ag2 B2 F8 N8 -","2","1","","Aurel Tăbăcaru; Claudio Pettinari; Fabio Marchetti; Corrado di Nicola; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi; Stefania Scuri; Iolanda Grappasonni; Mario Cocchioni","Antibacterial Action of 4,4'-Bipyrazolyl-Based Silver(I) Coordination Polymers Embedded in PE Disks","Inorganic Chemistry","2012","51","","9775","9788","10.1021/ic3011635","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330656","9.9055","0.0006","19.7003","0.0012","15.1944","0.001","90","","92.242","0.003","90","","2962.8","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","tt_4_13","tt_4_13","","- C25 H49 F6 O2 P3 Ru -","- C25 H49 F6 O2 P3 Ru -","- C100 H196 F24 O8 P12 Ru4 -","4","2","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.0181","0.0167","","","0.0387","0.0393","","","","","","1.017","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4331499","12.704","0.001","12.275","0.001","10.57","0.001","90","","105.879","0.003","90","","1585.4","0.2","150","2","150","2","","","","","","","synthesis","7","P 1 c 1","P -2yc","7","","","","- C28 H20 Cl2 Cu N6 O4 S4 -","- C28 H20 Cl2 Cu N6 O4 S4 -","- C56 H40 Cl4 Cu2 N12 O8 S8 -","2","1","","González-Alvarez, Marta; Alzuet, Gloria; Borrás, Joaquín; del Castillo Agudo, Lucas; García-Granda, Santiago; Montejo-Bernardo, José Manuel","Comparison of protective effects against reactive oxygen species of mononuclear and dinuclear Cu(II) complexes with N-substituted benzothiazolesulfonamides.","Inorganic chemistry","2005","44","25","9424","9433","10.1021/ic050110c","","","1.54184","CuKα","","0.0774","0.0759","","","0.1944","0.1959","","","","","","1.052","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331732","12.705","0.0017","18.89","0.003","13.1447","0.0018","90","","116.852","0.003","90","","2814.5","0.7","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C55 H86 Cr N4 O2 Si2 -","- C55 H86 Cr N4 O2 Si2 -","- C110 H172 Cr2 N8 O4 Si4 -","2","1","","Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana; Cundari, Thomas R.","The Butterfly Dimer [(tBu3SiO)Cr]2(μ-OSitBu3)2and Its Oxidative Cleavage to (tBu3SiO)2Cr(N−NCPh2)2and (tBu3SiO)2CrN(2,6-Ph2-C6H3)","Inorganic Chemistry","2006","45","5","2008","2021","10.1021/ic051481w","","","0.71073","MoKα","","0.066","0.0449","","","0.0906","0.0989","","","","","","0.979","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4332767","5.4057","0.0005","5.0131","0.0005","12.1373","0.0012","90","","99.896","0.003","90","","324.02","0.05","133","2","20","","","","","","","","","3","P 1 c 1","P -2yc","7","","Osmiumdioxidtrifluorid","","- F6 O4 Os2 -","- F6 O4 Os2 -","- F12 O8 Os4 -","2","1","","Shorafa, Hashem; Seppelt, Konrad","Osmium(VII) Fluorine Compounds","Inorganic Chemistry","2006","45","19","7929","7934","10.1021/ic0608290","","","0.71073","MoKα","","0.044","0.0368","","","0.0832","0.0868","","","","","","1.072","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4333462","9.0355","0.0005","9.4837","0.0005","20.1155","0.0011","90","","90.886","0.003","90","","1723.49","0.16","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H46 N4 S4 Se4 Zn -","- C24 H46 N4 S4 Se4 Zn -","- C48 H92 N8 S8 Se8 Zn2 -","2","1","","Eid, Samar; Fourmigué, Marc; Roisnel, Thierry; Lorcy, Dominique","Influence of the Thiazole Backbone on the Structural, Redox, and Optical Properties of Dithiolene and Diselenolene Complexes","Inorganic Chemistry","2007","46","25","10647","10654","10.1021/ic7013682","","x-ray","0.71073","MoKα","","0.0941","0.0511","","","0.1224","0.1435","","","","","","1.026","","","","has coordinates,has disorder","179437","2020-10-21","18:00:00",""
"4334518","8.4033","0.00004","13.69246","0.00006","7.24076","0.00002","90","","100.582","0.0004","90","","818.965","0.006","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H17 Mo N3 O8 -","- C14 H15 Mo N3 O8 -","- C28 H30 Mo2 N6 O16 -","2","1","","Tatiana R. Amarante; Patrícia Neves; Anabela A. Valente; Filipe A. Almeida Paz; Andrew N. Fitch; Martyn Pillinger; Isabel S. Gonçalves","Hydrothermal Synthesis, Crystal Structure, and Catalytic Potential of a One-Dimensional Molybdenum Oxide/Bipyridinedicarboxylate Hybrid","Inorganic Chemistry","2013","52","","4618","4628","10.1021/ic400248m","powder diffraction","","0.39981","Synchrotron","","","","","","","","","9.3191","","","","","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334706","9.408","0.005","11.503","0.005","31.071","0.005","90","0.005","91.996","0.005","90","0.005","3360","2","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C26 H46 Mo N4 O5 S4 -","- C26 H46 Mo N4 O5 S4 -","- C104 H184 Mo4 N16 O20 S16 -","4","2","","Golam Moula; Moumita Bose; Sabyasachi Sarkar","Replica of a Fishy Enzyme: Structure-Function Analogue of Trimethylamine-N-Oxide Reductase","Inorganic Chemistry","2013","52","","5316","5327","10.1021/ic4002576","","","0.71069","MoKα","","0.095","0.0669","","","0.1662","0.2442","","","","","","1.097","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334722","5.2714","0.0008","10.0402","0.0011","5.507","0.0008","90","","101.326","0.01","90","","285.79","0.07","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- I O7 V Zn2 -","- I O7 V Zn2 -","- I2 O14 V2 Zn4 -","2","1","","Bing-Ping Yang; Chun-Li Hu; Xiang Xu; Chao Huang; Jiang-Gao Mao","Zn2(VO4)(IO3): A Novel Polar Zinc(II) Vanadium(V) Iodate with a Large SHG Response","Inorganic Chemistry","2013","52","","5378","5384","10.1021/ic4003324","","","0.71073","MoKα","","0.0245","0.0242","","","0.0614","0.0614","","","","","","1.088","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334906","8.5912","0.00009","10.0507","0.00012","17.6921","0.0002","90","","97.2975","0.0011","90","","1515.3","0.03","183","2","183","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31 H31 Br2 Mn N5 O3 -","- C31 H31 Br2 Mn N5 O3 -","- C62 H62 Br4 Mn2 N10 O6 -","2","1","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.71073","MoKα","","0.0407","0.0338","","","0.0693","0.0733","","","","","","1.044","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334907","8.57842","0.00011","10.0637","0.00012","17.5345","0.0003","90","","97.3323","0.0013","90","","1501.39","0.04","183","2","183","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31 H31 Br2 Fe N5 O3 -","- C31 H29 Br2 Fe N5 O3 -","- C62 H58 Br4 Fe2 N10 O6 -","2","1","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.71073","MoKα","","0.0458","0.0376","","","0.0858","0.091","","","","","","1.051","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334908","8.5667","0.0001","10.081","0.0002","17.4483","0.0003","90","","97.268","0.002","90","","1494.74","0.04","183","2","183","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31 H31 Br2 Co N5 O3 -","- C31 H31 Br2 Co N5 O3 -","- C62 H62 Br4 Co2 N10 O6 -","2","1","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.71073","MoKα","","0.0479","0.0402","","","0.0851","0.0891","","","","","","1.051","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4335954","17.6133","0.0005","10.4554","0.0002","18.8663","0.0004","90","","105.548","0.003","90","","3347.17","0.14","110","2","110","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C33 H35 F3 Fe N4 O3 S2 -","- C33 H35 F3 Fe N4 O3 S2 -","- C132 H140 F12 Fe4 N16 O12 S8 -","4","2","","Leland R. Widger; Yunbo Jiang; Maxime A. Siegler; Devesh Kumar; Reza Latifi; Sam P. de Visser; Guy N. L. Jameson; David P. Goldberg","Synthesis and Ligand Non-Innocence of Thiolate-Ligated (N4S) Iron(II) and Nickel(II) Bis(imino)pyridine Complexes","Inorganic Chemistry","2013","52","","10467","10480","10.1021/ic4013558","","","0.71073","MoKα","","0.0661","0.0471","","","0.1068","0.1136","","","","","","0.993","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4336154","15.1584","0.0006","11.8641","0.0004","19.9033","0.0007","90","","105.051","0.0004","90","","3456.6","0.2","173","2","173","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C38 H28.5 B F8 N4.5 O2 Pd -","- C38 H28.5 B F8 N4.5 O2 Pd -","- C152 H114 B4 F32 N18 O8 Pd4 -","4","2","","Graeme Nawn; Robert McDonald; Robin G. Hicks","Synthesis and Characterization of Heterobimetallic (Pd/B) Nindigo Complexes and Comparisons to Their Homobimetallic (Pd2, B2) Analogues","Inorganic Chemistry","2013","52","","10912","10919","10.1021/ic400911k","","","0.71073","MoKα","","0.032","0.0281","","","0.0681","0.0704","","","","","","1.016","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336475","10.45","0.002","16.194","0.003","10.998","0.002","90","","100.97","0.03","90","","1827.2","0.6","180","","180","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C41 H38 B Cu F4 N2 P2 -","- C41 H38 B Cu F4 N2 P2 -","- C82 H76 B2 Cu2 F8 N4 P4 -","2","1","","Adrien Kaeser; Meera Mohankumar; John Mohanraj; Filippo Monti; Michel Holler; Juan-José Cid; Omar Moudam; Iwona Nierengarten; Lydia Karmazin-Brelot; Carine Duhayon; Béatrice Delavaux-Nicot; Nicola Armaroli; Jean-François Nierengarten","Heteroleptic Copper(I) Complexes Prepared from Phenanthroline and Bis-Phosphine Ligands","Inorganic Chemistry","2013","52","","12140","12151","10.1021/ic4020042","","","0.71073","MoKα","","0.1243","0.0742","","0.1144","0.0832","0.0775","","","","","","1.1279","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336791","18.4655","0.0011","11.4588","0.0007","17.9216","0.0011","90","","90.146","0.001","90","","3792.1","0.4","110","2","110","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C42 H59 B Cl Co N3 -","- C42 H59 B Cl Co N3 -","- C168 H236 B4 Cl4 Co4 N12 -","4","2","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.0541","0.0474","","","0.1131","0.1172","","","","","","1.017","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336792","18.435","0.0016","11.4849","0.001","17.9159","0.0016","90","","90.22","0.001","90","","3793.2","0.6","109.01","","109.01","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C42 H59 B Br N3 Ni -","- C42 H59 B Br N3 Ni -","- C168 H236 B4 Br4 N12 Ni4 -","4","2","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.079","0.0527","","","0.0947","0.1043","","","","","","0.966","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4336941","7.4877","0.0003","21.0835","0.0009","9.3737","0.0004","90","","92.086","0.002","90","","1478.82","0.11","147","2","147","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H12 Cl2 Te -","- C16 H12 Cl2 Te -","- C64 H48 Cl8 Te4 -","4","2","","Elisa I. Carrera; Theresa M. McCormick; Marius J. Kapp; Alan J. Lough; Dwight S. Seferos","Thermal and Photoreductive Elimination from the Tellurium Center of π-Conjugated Tellurophenes","Inorganic Chemistry","2013","52","","13779","13790","10.1021/ic402485d","","","1.54178","CuKα","","0.0251","0.0246","","","0.06","0.0613","","","","","","1.059","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4337130","10.8481","0.0009","14.1928","0.0006","30.7277","0.0008","90","","100.123","0.004","90","","4657.3","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 c 1","P -2yc","7","","","","- C25 H41 N3 Ru Si -","- C25 H41 N3 Ru Si -","- C200 H328 N24 Ru8 Si8 -","8","4","","Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane","Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.","Inorganic chemistry","2014","53","2","1156","1165","10.1021/ic4027199","","x-ray","0.71073","MoKα","","0.049","0.0327","","","0.0612","0.0662","","","","","","0.992","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337494","7.9147","0.0002","11.1818","0.0002","9.5726","0.0003","90","","113.626","0.003","90","","776.17","0.04","173","","173","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H18 Cl3 N3 O3 -","- C11 H18 Cl3 N3 O3 -","- C22 H36 Cl6 N6 O6 -","2","1","","Tan, Kel Vin; Pellegrini, Paul A.; Skelton, Brian W.; Hogan, Conor F.; Greguric, Ivan; Barnard, Peter J.","Triamidetriamine bearing macrobicyclic and macrotricyclic ligands: potential applications in the development of copper-64 radiopharmaceuticals.","Inorganic chemistry","2014","53","1","468","477","10.1021/ic4024508","","","1.54184","CuKα","","0.0401","0.04","","","0.1014","0.1018","","","","","","1.099","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337645","11.8044","0.0019","15.699","0.003","14.329","0.002","90","","94.249","0.002","90","","2648.1","0.8","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","1,8-AQ.3Aniline","","","- C28 H26 N4 O10 -","- C28 H26 N4 O10 -","- C112 H104 N16 O40 -","4","2","","Mariappan, Kadarkaraisamy; Alaparthi, Madhubabu; Caple, Gerald; Balasubramanian, Vinothini; Hoffman, Mariah M.; Hudspeth, Mikaela; Sykes, Andrew G.","Selective Fluorescence Sensing of Copper(II) and Water via Competing Imine Hydrolysis and Alcohol Oxidation Pathways Sensitive to Water Content in Aqueous Acetonitrile Mixtures.","Inorganic chemistry","2014","53","6","2953","2962","10.1021/ic402723c","","","0.71073","MoKα","","0.089","0.047","","","0.1148","0.1408","","","","","","1.023","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4338083","8.7113","0.0003","10.0389","0.0003","17.8182","0.0005","90","","118.193","0.002","90","","1373.37","0.08","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H28 Cl2 O12 Pb S2 -","- C22 H28 Cl2 O12 Pb S2 -","- C44 H56 Cl4 O24 Pb2 S4 -","2","1","","Ryu, Hyunsoo; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","A Ditopic O4S2 Macrocycle and Its Hard, Soft, and Hard/Soft Metal Complexes Exhibiting Endo-, Exo-, or Endo/Exocyclic Coordination: Synthesis, Crystal Structures, NMR Titration, and Physical Properties.","Inorganic chemistry","2014","53","8","4029","4038","10.1021/ic4030475","","","0.71073","MoKα","","0.0507","0.0478","","","0.1301","0.1332","","","","","","1.081","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338343","20.3206","0.0014","11.9014","0.0009","13.1195","0.0009","90","","91.995","0.004","90","","3170.9","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C37 H40 B2 F2 N2 -","- C37 H40 B2 F2 N2 -","- C148 H160 B8 F8 N8 -","4","2","","Swamy P, Chinna Ayya; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Multichannel-Emissive V-Shaped Boryl-BODIPY Dyads: Synthesis, Structure, and Remarkably Diverse Response toward Fluoride.","Inorganic chemistry","2014","53","10","4813","4823","10.1021/ic402470a","","","0.71073","MoKα","","0.1224","0.0763","","","0.1956","0.2174","","","","","","1.025","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338808","10.4799","0.0004","14.9728","0.0005","11.5528","0.0004","90","","107.423","0.003","90","","1729.62","0.11","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C37 H59 N3 Ni S -","- C37 H59 N3 Ni S -","- C74 H118 N6 Ni2 S2 -","2","1","","Horn, Bettina; Limberg, Christian; Herwig, Christian; Braun, Beatrice","Three-Coordinate Nickel(II) and Nickel(I) Thiolate Complexes Based on the β-Diketiminate Ligand System.","Inorganic chemistry","2014","53","13","6867","6874","10.1021/ic500698v","","","0.71073","MoKα","","0.0294","0.0252","","","0.0507","0.0515","","","","","","1.02","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338827","10.0291","0.0004","9.446","0.0004","19.2958","0.0007","90","","93.479","0.002","90","","1824.62","0.13","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","(hapta^6^-p-Cymene)[6-(4-methylpiperazin-1-yl)-kappaN-(pyridin-2-yl-methylene)-11H- indolo[3,2-c]quinolin-4-kappaN-amine]chloridoruthenium(II) chloride","","- C37 H43 Cl2 N6 O1.5 Ru -","- C37 H41 Cl2 N6 O1.5 Ru -","- C74 H82 Cl4 N12 O3 Ru2 -","2","1","","Filak, Lukas K.; Kalinowski, Danuta S.; Bauer, Theresa J.; Richardson, Des R.; Arion, Vladimir B.","Effect of the Piperazine Unit and Metal-Binding Site Position on the Solubility and Anti-Proliferative Activity of Ruthenium(II)- and Osmium(II)- Arene Complexes of Isomeric Indolo[3,2-c]quinoline-Piperazine Hybrids.","Inorganic chemistry","2014","53","13","6934","6943","10.1021/ic500825j","","","0.71073","MoKα","","0.044","0.0362","","","0.0879","0.0922","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340782","18.846","0.003","25.339","0.004","17.39","0.003","90","","102.082","0.002","90","","8120","2","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C134 H184 N6 O36 P8 S4 Zn8 -","- C134 H184 N6 O36 P8 S4 Zn8 -","- C268 H368 N12 O72 P16 S8 Zn16 -","2","1","","Kalita, Alok Ch; Gogoi, Nayanmoni; Jangir, Ritambhara; Kuppuswamy, Subramaniam; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Ab initio chemical synthesis of designer metal phosphate frameworks at ambient conditions.","Inorganic chemistry","2014","53","17","8959","8969","10.1021/ic500810d","","","0.71073","MoKα","","0.0803","0.0709","","","0.1834","0.1877","","","","","","1.085","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4341530","22.6608","0.0011","13.04","0.0008","25.3241","0.0015","90","","91.247","0.004","90","","7481.4","0.7","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C72 H64 Cu3 F18 N12 P3 -","- C72 H64 Cu3 F18 N12 P3 -","- C288 H256 Cu12 F72 N48 P12 -","4","2","","Liu, Bo; Pan, Shanfei; Liu, Bin; Chen, Wanzhi","Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked dicarbene ligands.","Inorganic chemistry","2014","53","19","10485","10497","10.1021/ic501544d","","","0.71073","MoKα","","0.113","0.0963","","","0.2704","0.2872","","","","","","1.159","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341603","7.89037","0.00014","10.47959","0.00019","17.1104","0.0003","90","","91.5207","0.0017","90","","1414.32","0.04","100","2","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H18 B11 N O -","- C7 H18 B11 N O -","- C28 H72 B44 N4 O4 -","4","2","","Pecyna, Jacek; Ringstrand, Bryan; Domagała, Sławomir; Kaszyński, Piotr; Woźniak, Krzysztof","Synthesis and Characterization of 12-Pyridinium Derivatives of the [closo-1-CB11H12](-) Anion.","Inorganic chemistry","2014","","","141113084747009","","10.1021/ic502265g","","","0.71073","MoKα","","0.0513","0.044","","","0.1076","0.1149","","","","","","1.061","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4342136","10.4748","0.0006","13.4264","0.0007","16.2322","0.0007","90","","127.345","0.002","90","","1814.88","0.17","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","Hg (O Te F5)4,(N CH2 CH3)4,(N CH2 CH3)4","","","- C16 H40 F20 Hg N2 O4 Te4 -","- C16 H40 F20 Hg N2 O4 Te4 -","- C32 H80 F40 Hg2 N4 O8 Te8 -","2","1","","DeBackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Pentafluoro-oxotellurate(VI) Anions of Mercury(II); Syntheses and Structures of [Hg(OTeF5)4](2-), [Hg(OTeF5)5](3-), [Hg2(OTeF5)6](2-), [Hg(OTeF5)4](2-)·Hg(OTeF5)2, and [Hg2(OTeF5)7](3-)·Hg(OTeF5)2.","Inorganic chemistry","2015","54","4","1606","1626","10.1021/ic502602p","","","0.71073","MoKα","","0.033","0.0285","","","0.062","0.0632","","","","","","0.911","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4342298","10.3111","0.0003","15.8416","0.0005","11.703","0.0004","90","","115.112","0.001","90","","1730.93","0.1","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C47 H35 B O -","- C47 H35 B O -","- C94 H70 B2 O2 -","2","1","","Huang, Kexuan; Martin, Caleb D.","Ring expansion reactions of pentaphenylborole with dipolar molecules as a route to seven-membered boron heterocycles.","Inorganic chemistry","2015","54","4","1869","1875","10.1021/ic502784d","","","0.71073","MoKα","","0.0634","0.0398","","","0.0764","0.0839","","","","","","1.027","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342318","16.4808","0.0003","8.8546","0.0001","18.6534","0.0003","90","","98.448","0.001","90","","2692.57","0.07","150","","150","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H30 Br2 Cu N4 O2 -","- C24 H30 Br2 Cu N4 O2 -","- C96 H120 Br8 Cu4 N16 O8 -","4","2","","Kaur, Aman; Ribelli, Thomas G.; Schröder, Kristin; Matyjaszewski, Krzysztof; Pintauer, Tomislav","Properties and ATRP Activity of Copper Complexes with Substituted Tris(2-pyridylmethyl)amine-Based Ligands.","Inorganic chemistry","2015","54","4","1474","1486","10.1021/ic502484s","","","0.71073","MoKα","","0.0658","0.0566","","","0.1677","0.1754","","","","","","1.059","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342325","9.1513","0.0009","8.9852","0.0009","12.2305","0.0012","90","","97.84","0.001","90","","996.27","0.17","200","2","200","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Ca Ga Na4 Sb3 -","- Ca Ga Na4 Sb3 -","- Ca4 Ga4 Na16 Sb12 -","4","2","","Wang, Yi; Stoyko, Stanislav; Bobev, Svilen","Quaternary Pnictides with Complex, Noncentrosymmetric Structures. Synthesis and Structural Characterization of the New Zintl Phases Na11Ca2Al3Sb8, Na4CaGaSb3, and Na15Ca3In5Sb12.","Inorganic chemistry","2015","54","4","1931","1939","10.1021/ic502822v","","","0.71073","MoKα","","0.0232","0.021","","","0.0411","0.0421","","","","","","0.994","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4344017","15.246","0.003","7.5877","0.0015","16.816","0.003","90","","111.32","0.03","90","","1812.2","0.7","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H18 Cl2 Hg N2 O -","- C16 H18 Cl2 Hg N2 O -","- C32 H36 Cl4 Hg2 N4 O2 -","2","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Gao, Song; Zhang, Hui-Jie; Yang, Yu-Lin; Wang, Yu-Lei","Tunable Luminescence and Application in Dye-Sensitized Solar Cells of Zn(II)/Hg(II) Complexes: Methyl Substitution-Induced Supramolecular Structures Based on (E)-N-(6-Methoxypyridin-2-ylmethylene)arylamine Derivatives.","Inorganic chemistry","2015","54","16","7742","7752","10.1021/acs.inorgchem.5b00661","","","0.71073","MoKα","","0.0301","0.0284","","","0.0608","0.0619","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344944","12.876","0.0008","9.4302","0.0007","15.1306","0.001","90","","114.194","0.005","90","","1675.8","0.2","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Imidazolium Tin Iodide","","","- C3 H5 I3 N2 Sn -","- C3 H5 I3 N2 Sn -","- C18 H30 I18 N12 Sn6 -","6","3","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","x-ray","0.71073","MoKα","","0.1098","0.0569","","","0.086","0.0936","","","","1.53","1.53","1.24","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4344969","11.1776","0.0002","12.1319","0.0002","22.0941","0.0004","90","","90.903","0.001","90","","2995.71","0.09","100","2","100.01","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C28.04 H22.08 Cl0.08 Mg O5 Pt S4 -","- C28.0415 H22.083 Cl0.083 Mg O5 Pt S4 -","- C112.166 H88.332 Cl0.332 Mg4 O20 Pt4 S16 -","4","2","","Baddour, Frederick G.; Hyre, Ariel S.; Guillet, Jesse L.; Pascual, David; Lopez-de-Luzuriaga, José Maria; Alam, Todd M.; Bacon, Jeffrey W.; Doerrer, Linda H.","Pt-Mg, Pt-Ca, and Pt-Zn Lantern Complexes and Metal-Only Donor-Acceptor Interactions.","Inorganic chemistry","2017","56","1","452","469","10.1021/acs.inorgchem.6b02372","","","1.54178","CuKα","","0.0176","0.0175","","","0.0438","0.0438","","","","","","1.062","","","","has coordinates","191349","2020-10-21","18:00:00",""
"4345982","13.9085","0.0003","38.6574","0.0007","25.437","0.0004","90","","97.1607","0.001","90","","13569.9","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C124 H96 B12 F72 N O12 -","- C124 H96 B12 F72 N O12 -","- C496 H384 B48 F288 N4 O48 -","4","2","","Alex I. Wixtrom; Yanwu Shao; Dahee Jung; Charles W. Machan; Shaunt N. Kevork; Elaine A. Qian; Jonathan C. Axtell; Saeed I. Khan; Clifford P. Kubiak; Alexander M. Spokoyny","Rapid Synthesis of Redox-Active Dodecaborane B12(OR)12 Clusters Under Ambient Conditions","Inorganic Chemistry Frontiers","2016","3","","711","717","10.1039/C5QI00263J","","","1.54178","CuKα","","0.0985","0.089","","","0.2408","0.2551","","","","","","1.019","","","","has coordinates,has disorder","205225","2020-10-21","18:00:00",""
"4346000","9.0164","0.001","19.309","0.002","12.373","0.0014","90","","90.238","0.002","90","","2154.1","0.4","293","2","293","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C12 H29 B2 F8 N5 O Ru S -","- C12 H25 B2 F8 N5 O Ru S -","- C48 H100 B8 F32 N20 O4 Ru4 S4 -","4","2","","Louise A. Berben; Mary C. Faia; Nathan R. M. Crawford; Jeffrey R. Long","Angle-Dependent Electronic Effects in 4,4'-Bipyridine-Bridged Ru3 Triangle and Ru4 Square Complexes","Inorganic Chemistry","2006","45","","6378","6386","10.1021/ic060570l","","","0.71073","MoKα","","0.0767","0.0675","","0.1907","0.1754","","","","1.08","1.091","1.091","","","","","has coordinates","231119","2020-10-21","18:00:00",""
"4347073","13.131","0.002","18.91","0.003","12.882","0.002","90","","117.88","0.002","90","","2827.4","0.8","123","2","123","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C54 H52 Cl6 F6 Ir N4 P S2 -","- C54 H52 Cl6 F6 Ir N4 P S2 -","- C108 H104 Cl12 F12 Ir2 N8 P2 S4 -","2","1","","Maity, Ayan; Le, Linh Q.; Zhu, Zhuan; Bao, Jiming; Teets, Thomas S.","Steric and Electronic Influence of Aryl Isocyanides on the Properties of Iridium(III) Cyclometalates.","Inorganic chemistry","2016","55","5","2299","2308","10.1021/acs.inorgchem.5b02691","","","0.71073","MoKα","","0.0451","0.0344","","","0.0648","0.068","","","","","","0.914","","","","has coordinates","232156","2020-10-21","18:00:00",""
"4347282","9.419","0.006","13.972","0.009","12.585","0.008","90","","90.81","0.01","90","","1656","1.8","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H41 N5 O11 S2 Zn -","- C28 H41 N5 O11 S2 Zn -","- C56 H82 N10 O22 S4 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Cao, Wenhai; Li, Haoran; Zhang, Hao; Wu, Xintao","1D to 3D and Chiral to Noncentrosymmetric Metal-Organic Complexes Controlled by the Amount of DEF Solvent: Photoluminescent and NLO Properties.","Inorganic chemistry","2016","55","9","4199","4205","10.1021/acs.inorgchem.5b02961","","","0.71073","MoKα","","0.0933","0.0714","","","0.1684","0.1828","","","","","","1.048","","","","has coordinates","232241","2020-10-21","18:00:00",""
"4347495","23.381","0.005","14.74","0.003","40.457","0.009","90","","94.695","0.002","90","","13896","5","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C132 H212 Na3 O17.5 P3 Zr2 -","- C130 H204.38 Na3 O17 P3 Zr2 -","- C520 H817.522 Na12 O68 P12 Zr8 -","4","2","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Zirconium Hydride Complex Supported by a Tetradentate Carbon-Centered Tripodal Tris(aryloxide) Ligand: Synthesis, Structure, and Reactivity.","Inorganic chemistry","2016","55","8","3967","3973","10.1021/acs.inorgchem.6b00233","","","0.71075","MoKα","","0.1216","0.0918","","","0.203","0.2321","","","","","","1.037","","","","has coordinates,has disorder","289268","2024-02-02","08:58:43",""
"4347559","11.343","0.005","13.833","0.005","9.061","0.005","90","","110.025","0.005","90","","1335.8","1.1","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C20 H16 Ce F12 N4 O4 -","- C20 H16 Ce F12 N4 O4 -","- C40 H32 Ce2 F24 N8 O8 -","2","1","","Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S.","Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films.","Inorganic chemistry","2016","55","11","5422","5429","10.1021/acs.inorgchem.6b00348","","","0.71073","MoKα","","0.0775","0.0708","","","0.175","0.1819","","","","","","0.993","","","","has coordinates","232381","2020-10-21","18:00:00",""
"4348178","26.935","0.017","13.625","0.007","26.06","0.01","90","","112.47","0.04","90","","8838","8","173","2","173.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C102 H238 Co2 N2 O68 Ti22 -","- C102 H238 Co2 N2 O68 Ti22 -","- C204 H476 Co4 N4 O136 Ti44 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","1.54178","CuKα","","0.1703","0.0947","","","0.2387","0.2894","","","","","","1.043","","","","has coordinates,has disorder","232810","2020-10-21","18:00:00",""
"4348182","15.05","0.008","13.864","0.008","25.664","0.011","90","","125.86","0.02","90","","4340","4","173","2","173.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C51 H119 Cl Mg O31 Ti11 -","- C51 H119 Cl Mg O31 Ti11 -","- C102 H238 Cl2 Mg2 O62 Ti22 -","2","1","","Hu, Junyi; Zhan, Lijie; Zhang, Guanyun; Zhang, Qun; Du, Lin; Tung, Chen-Ho; Wang, Yifeng","Effects of Substitutional Dopants on the Photoresponse of a Polyoxotitanate Cluster.","Inorganic chemistry","2016","55","17","8493","8501","10.1021/acs.inorgchem.6b01071","","","0.71073","MoKα","","0.1377","0.0692","","","0.1821","0.2238","","","","","","0.996","","","","has coordinates","232810","2020-10-21","18:00:00",""
"4348202","17.38","0.004","11.675","0.002","9.717","0.0019","90","","101.83","0.03","90","","1929.8","0.7","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H16 Co N10 O7 S4 -","- C4 H18 Co N10 O7 S4 -","- C16 H72 Co4 N40 O28 S16 -","4","2","","Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran","What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets?","Inorganic chemistry","2016","55","19","9564","9578","10.1021/acs.inorgchem.6b01073","","","0.71073","MoKα","","0.0448","0.0383","","","0.0723","0.0752","","","","","","0.98","","","","has coordinates","232823","2020-10-21","18:00:00",""
"4348739","7.6816","0.0007","14.5454","0.0018","13.974","0.002","90","","118.317","0.013","90","","1374.5","0.3","113","2","113","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C5 H16 Cl5 N2 Sb -","- C5 H16 Cl5 N2 Sb -","- C20 H64 Cl20 N8 Sb4 -","4","2","","Zhao, Wen-Ping; Shi, Chao; Stroppa, Alessandro; Di Sante, Domenico; Cimpoesu, Fanica; Zhang, Wen","Lone-Pair-Electron-Driven Ionic Displacements in a Ferroelectric Metal-Organic Hybrid.","Inorganic chemistry","2016","55","20","10337","10342","10.1021/acs.inorgchem.6b01545","","","0.71073","MoKα","","0.0189","0.0177","","","0.0367","0.0371","","","","","","1.038","","","","has coordinates","233301","2020-10-21","18:00:00",""
"4349801","11.956","0.002","8.2251","0.0016","10.12","0.002","90","","96.08","0.03","90","","989.6","0.3","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C12 Eu2 O20 -","- C12 Eu2 O20 -","- C24 Eu4 O40 -","2","1","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0302","0.0294","","","0.0801","0.0857","","","","","","1.178","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349922","8.1099","0.0009","4.5429","0.0004","9.394","0.0012","90","","107.583","0.013","90","","329.93","0.07","213","2","213","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C6 H7 N5 -","- C6 H7 N5 -","- C12 H14 N10 -","2","1","","Vismara, Rebecca; Tuci, Giulia; Mosca, Nello; Domasevitch, Kostiantyn V.; Di Nicola, Corrado; Pettinari, Claudio; Giambastiani, Giuliano; Galli, Simona; Rossin, Andrea","Amino-decorated bis(pyrazolate) metal‒organic frameworks for carbon dioxide capture and green conversion into cyclic carbonates","Inorganic Chemistry Frontiers","2019","6","2","533","","10.1039/C8QI00997J","","","0.71073","MoKα","","0.0516","0.0352","","","0.0887","0.0937","","","","","","0.916","","","","has coordinates,has disorder","236948","2020-10-21","18:00:00",""
"4350112","12.859","0.004","10.915","0.004","16.933","0.006","90","","93.78","0.006","90","","2371.5","1.4","173.2","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H31 B N6 O -","- C24 H31 B N6 O -","- C96 H124 B4 N24 O4 -","4","2","","Stork, Jay R.; Brewer, Jeffrey J.; Fukuda, Takamitsu; Fitzgerald, Jeffrey P.; Yee, Gordon T.; Nazarenko, Alexander Y.; Kobayashi, Nagao; Durfee, William S.","Chloro and hydroxo forms of a boron(III) subtriazaporphyrin macrocycle.","Inorganic chemistry","2006","45","16","6148","6151","10.1021/ic051093u","","","0.7107","MoKα","","","0.046","","","","0.0498","","","","","","1.139","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4350222","13.953","0.003","4.642","0.001","12.389","0.003","90","","103.55","0.004","90","","780.1","0.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C32 H28 N8 S4 -","2","1","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0601","0.0562","","","0.1417","0.1497","","","","","","1.128","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350755","26.224","0.003","15.8839","0.0018","11.0864","0.0012","90","","96.965","0.0016","90","","4583.8","0.9","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H44 O2 P2 Pd -","- C30 H44 O2 P2 Pd -","- C180 H264 O12 P12 Pd6 -","6","3","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","0.7749","synchrotron","","0.054","0.0389","","","0.0861","0.0926","","","","","","1.023","","","","has coordinates,has disorder","244425","2020-10-21","18:00:00",""
"4500098","19.0991","0.0017","7.4858","0.0007","22.7304","0.0015","90","","123.792","0.005","90","","2700.8","0.4","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(isonicotinamide) hydrate Form II","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C96 H128 N32 O32 -","16","8","","Báthori, Nikoletta B.; Lemmerer, Andreas; Venter, Gerhard A.; Bourne, Susan A.; Caira, Mino R.","Pharmaceutical Co-crystals with Isonicotinamide—Vitamin B3, Clofibric Acid, and Diclofenac—and Two Isonicotinamide Hydrates","Crystal Growth & Design","2011","11","1","75","","10.1021/cg100670k","","","0.71073","MoKα","","0.0632","0.035","","","0.0916","0.1108","","","","","","1.033","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500978","11.915","0.002","3.8719","0.0008","17.285","0.004","90","","91.79","0.03","90","","797","0.3","173","","173","","","","","","","","","4","P 1 c 1","P -2yc","7","","phenanthridine isophthalic acid 1:1","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C42 H30 N2 O8 -","2","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.71073","MoKα","","0.0625","0.0437","","0.117","0.1056","0.112","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500985","10.1977","0.0008","9.3925","0.0007","24.4616","0.0017","90","","91.926","0.007","90","","2341.7","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C41 H37 Co2 N4 O17 -","- C41 H31 Co2 N4 O17 -","- C82 H62 Co4 N8 O34 -","2","1","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71073","MoKα","","0.1598","0.0668","","","0.1552","0.1797","","","","","","0.768","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501134","4.358","0.005","29.45","0.03","6.076","0.005","90","","110.62","0.08","90","","729.9","1.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C32 H28 N8 O4 -","2","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Tomàs, Salvador; Fujii, Kotaro; Harris, Kenneth D. M.; Alcobé, Xavier; Font-Bardia, Mercè; Barbas, Rafael","Cooperativity in Solid-State Squaramides","Crystal Growth & Design","2011","11","9","3725","","10.1021/cg200772e","","","0.71073","MoKα","","0.093","0.0699","","","0.2093","0.2223","","","","","","1.17","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501716","6.1958","0.0009","5.3278","0.0008","11.3566","0.0016","90","","105.132","0.002","90","","361.88","0.09","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C5 H7 B Cl N O2 -","- C5 H7 B Cl N O2 -","- C10 H14 B2 Cl2 N2 O4 -","2","1","","Campos-Gaxiola, José J.; Vega-Paz, Araceli; Román-Bravo, Perla; Höpfl, Herbert; Sánchez-Vázquez, Mario","Pyridineboronic Acids as Useful Building Blocks in Combination with Perchloroplatinate(II) and -(IV) Salts: 1D, 2D, and 3D Hydrogen-Bonded Networks Containing X-H···Cl2Pt−(X = C, N+), B(OH)2···Cl2Pt−, and B(OH)2···(HO)2B Synthons","Crystal Growth & Design","2010","10","7","3182","","10.1021/cg100325c","","","0.71073","MoKα","","0.0335","0.0327","","","0.0808","0.0813","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501763","7.1756","0.0014","3.6508","0.0007","10.663","0.002","90","","106.337","0.003","90","","268.06","0.09","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C10 H10 N6 O2 -","2","1","","Cherukuvada, Suryanarayan; Thakuria, Ranjit; Nangia, Ashwini","Pyrazinamide Polymorphs: Relative Stability and Vibrational Spectroscopy","Crystal Growth & Design","2010","10","9","3931","","10.1021/cg1004424","","","0.71073","MoKα","","0.0394","0.0392","","","0.096","0.0961","","","","","","1.116","","","","has coordinates,has disorder","179548","2020-10-21","18:00:00",""
"4501764","7.17","0.003","3.6477","0.0015","10.648","0.004","90","","106.35","0.006","90","","267.23","0.19","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C10 H10 N6 O2 -","2","1","","Cherukuvada, Suryanarayan; Thakuria, Ranjit; Nangia, Ashwini","Pyrazinamide Polymorphs: Relative Stability and Vibrational Spectroscopy","Crystal Growth & Design","2010","10","9","3931","","10.1021/cg1004424","","","0.71073","MoKα","","0.0819","0.0796","","","0.2145","0.2166","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501917","9.3072","0.0012","9.5775","0.0012","7.5116","0.0009","90","","113.735","0.001","90","","612.95","0.13","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","Dbg-Hydantoin","","","- C11 H20 N2 O2 -","- C11 H20 N2 O2 -","- C22 H40 N4 O4 -","2","1","","Chattopadhyay, Basab; Mukherjee, Alok K.; Narendra, N.; Hemantha, H. P.; Sureshbabu, Vommina V.; Helliwell, Madeliene; Mukherjee, Monika","Supramolecular Architectures in 5,5′-Substituted Hydantoins: Crystal Structures and Hirshfeld Surface Analyses","Crystal Growth & Design","2010","10","10","4476","","10.1021/cg100706n","","","0.6945","synchrotron","","0.0433","0.0433","","","0.1135","0.1135","","","","","","1.096","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502494","8.8115","0.0013","12.2454","0.0018","7.2356","0.0012","90","","108.886","0.001","90","","738.7","0.2","298","2","298","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C13 H8 Cl N3 O3 S Zn -","- C13 H8 Cl N3 O3 S Zn -","- C26 H16 Cl2 N6 O6 S2 Zn2 -","2","1","","Ma, Qi; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi; Lu, Liping; Wang, Qingming","A Molecular Helix: Self-Assembly of Coordination Polymers from d10Metal Ions and 1,10-Phenanthroline-5,6-dione (pdon) with the Bridges of SCN−and Cl−Anions","Crystal Growth & Design","2010","10","4","1706","","10.1021/cg901297y","","","0.71073","MoKα","","0.0596","0.0544","","","0.1391","0.1419","","","","","","1.037","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502526","11.8553","0.0012","16.4496","0.0016","12.002","0.0013","90","","97.55","0.005","90","","2320.3","0.4","173","2","173","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C42 H51 Ag2 Cl2 N O12 S4 -","- C42 H51 Ag2 Cl2 N O12 S4 -","- C84 H102 Ag4 Cl4 N2 O24 S8 -","2","1","","Lee, So Young; Jung, Jong Hwa; Vittal, Jagadese J.; Lee, Shim Sung","Solvent-Dependent Networking of O2S2-Macrocycle with Silver Perchlorate into One- and Two-Dimensional Coordination Polymers","Crystal Growth & Design","2010","10","3","1033","","10.1021/cg901335w","","","0.71073","MoKα","","0.0342","0.0337","","","0.0922","0.0928","","","","","","1.032","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502776","14.2155","0.0012","11.8409","0.001","12.0213","0.001","90","","94.998","0.001","90","","2015.8","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C44 H38 N4 O9 Zn2 -","- C44 H38 N4 O9 Zn2 -","- C88 H76 N8 O18 Zn4 -","2","1","","Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya","Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand","Crystal Growth & Design","2012","12","1","147","","10.1021/cg200903k","","","0.71073","MoKα","","0.0371","0.0304","","","0.075","0.0787","","","","","","1.072","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4503382","11.275","0.002","8.8409","0.0018","15.945","0.005","90","","128.952","0.019","90","","1236","0.6","298","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H28 Cl2 Cu2 N8 -","- C20 H28 Cl2 Cu2 N8 -","- C40 H56 Cl4 Cu4 N16 -","2","1","","Qi, Yan; Luo, Feng; Batten, Stuart R.; Che, Yun-Xia; Zheng, Ji-Min","Syntheses and Crystal Structures of a Series of Novel Helical Coordination Polymers Constructed from Flexible Bis(imidazole) Ligands and Metal Salts","Crystal Growth & Design","2008","8","8","2806","","10.1021/cg701061q","","x-ray","0.71073","MoKα","","0.0439","0.039","","","0.0996","0.1027","","","","","","1.072","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503464","12.7491","0.0009","11.7037","0.0008","28.784","0.002","90","","90.449","0.001","90","","4294.8","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C72 H112 I4 N16 O10 -","- C72 H112 I4 N16 O10 -","- C144 H224 I8 N32 O20 -","2","1","","Lakshminarayanan, P. S.; Ravikumar, I.; Suresh, Eringathodi; Ghosh, Pradyut","Molecular Recognition Studies of an Octaaminocryptand upon Different Degree of Protonation","Crystal Growth & Design","2008","8","8","2842","","10.1021/cg701152v","","","0.71073","MoKα","","0.0703","0.0674","","","0.18","0.183","","","","","","1.095","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503486","3.916","0.0006","7.8372","0.0012","11.4705","0.0018","90","","93.215","0.003","90","","351.48","0.09","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C5 H4 Cl Cu2 N S -","- C5 H4 Cl Cu2 N S -","- C10 H8 Cl2 Cu4 N2 S2 -","2","1","","Hao, Zheng-Ming; Zhang, Xian-Ming","Phosphorescent Acentric Cuprous Halide Coordination Polymers for Nolinear Optical Materials","Crystal Growth & Design","2008","8","7","2359","","10.1021/cg701208g","","","0.71073","MoKα","","0.0456","0.0391","","","0.0704","0.08","","","","","","1.083","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503487","3.9759","0.0008","7.858","0.0015","11.773","0.002","90","","93.912","0.004","90","","366.96","0.12","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C5 H4 Br Cu2 N S -","- C5 H4 Br Cu2 N S -","- C10 H8 Br2 Cu4 N2 S2 -","2","1","","Hao, Zheng-Ming; Zhang, Xian-Ming","Phosphorescent Acentric Cuprous Halide Coordination Polymers for Nolinear Optical Materials","Crystal Growth & Design","2008","8","7","2359","","10.1021/cg701208g","","","0.71073","MoKα","","0.0315","0.0297","","","0.0681","0.0781","","","","","","1.124","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503656","9.9477","0.0002","5.1827","0.0001","11.5038","0.0003","90","","109.055","0.002","90","","560.59","0.02","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H4 Br F4 N -","- C13 H4 Br F4 N -","- C26 H8 Br2 F8 N2 -","2","1","","Shirman, Tanya; Lamere, Jean-Francois; Shimon, Linda J. W.; Gupta, Tarkeshwar; Martin, Jan M. L.; van der Boom, Milko E.","Halogen-Bonded Supramolecular Assemblies Based on Phenylethynyl Pyridine Derivatives: Driving Crystal Packing through Systematic Chemical Modifications","Crystal Growth & Design","2008","8","8","3066","","10.1021/cg800208w","","","0.71073","MoKα","","0.0475","0.0447","","","0.0984","0.0992","","","","","","1.242","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503731","13.316","0.003","8.8408","0.0018","14.282","0.003","90","","91.6","0.03","90","","1680.7","0.6","90","2","90","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-[Methyl(phenyl)amino]nicotinic Acid","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C78 H72 N12 O12 -","6","3","","Long, Sihui; Parkin, Sean; Siegler, Maxime; Brock, Carolyn P.; Cammers, Arthur; Li, Tonglei","Polymorphism of an Organic System Effected by the Directionality of Hydrogen-Bonding Chains","Crystal Growth & Design","2008","8","9","3137","","10.1021/cg800339h","","","0.71073","MoKα","","0.0917","0.0446","","","0.0884","0.106","","","","","","0.904","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503828","5.038","0.004","10.012","0.008","10.362","0.008","90","","100.33","0.015","90","","514.2","0.7","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","1:1 Complex of 3HPY + BA","1:1 Complex of 3-hydroxypyridine and Benzoic acid","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C24 H22 N2 O6 -","2","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.0769","0.0597","","","0.137","0.1483","","","","","","1.088","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4504097","3.8294","0.0012","6.0334","0.0017","12.139","0.005","90","","96.23","0.03","90","","278.81","0.17","135","2","135","2","","","","","","","","3","P 1 c 1","P -2yc","7","3-Ethynylpyridine","3-Ethynylpyridine","","- C7 H5 N -","- C7 H5 N -","- C14 H10 N2 -","2","1","","Thalladi, Venkat R.; Dabros, Marta; Gehrke, Annette; Weiss, Hans-Christoph; Boese, Roland","Crystal Engineering with ⋮C−H···N and C−H···N Hydrogen Bonds","Crystal Growth & Design","2007","7","4","598","","10.1021/cg060806w","","","0.71073","MoKα","","0.0785","0.0756","","","0.191","0.1964","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504833","18.0259","0.0017","14.9021","0.0013","10.5521","0.0008","90","","97.917","0.003","90","","2807.5","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30.5 H28 Cl Fe N S4 -","- C30.5 H28 Cl Fe N S4 -","- C122 H112 Cl4 Fe4 N4 S16 -","4","2","","Byrne, Paul D.; Müller, Peter; Swager, Timothy M.","Conducting metallopolymers based on azaferrocene.","Langmuir : the ACS journal of surfaces and colloids","2006","22","25","10596","10604","10.1021/la061078h","","","0.71073","MoKα","","0.0703","0.0539","","","0.1136","0.1188","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504895","13.0114","0.0007","17.3285","0.0009","18.8523","0.001","90","","102.816","0.001","90","","4144.7","0.4","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C85 H71 B4 Cd2 F16 N17 O5 -","- C85 H71 B4 Cd2 F16 N17 O5 -","- C170 H142 B8 Cd4 F32 N34 O10 -","2","1","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering","Crystal Growth & Design","2005","5","3","1181","","10.1021/cg049609s","","","0.71073","MoKα","","0.0347","0.0331","","","0.0742","0.075","","","","","","1.052","","","","has coordinates,has disorder","179583","2020-10-21","18:00:00",""
"4505575","13.1974","0.0003","6.9662","0.0002","26.2816","0.0008","90","","97.847","0.001","90","","2393.59","0.11","293","2","293","2","","","","","","","synthesis as described","4","P 1 c 1","P -2yc","7","","","","- C20 H24 N8 O8 -","- C20 H24 N8 O8 -","- C80 H96 N32 O32 -","4","2","","Leyssens, Tom; Springuel, Geraldine; Montis, Riccardo; Candoni, Nadine; Veesler, Stéphane","Importance of Solvent Selection for Stoichiometrically Diverse Cocrystal Systems: Caffeine/Maleic Acid 1:1 and 2:1 Cocrystals","Crystal Growth & Design","2012","12","3","1520","1530","10.1021/cg201581z","","x-ray","0.71073","MoKα","","0.2037","0.0973","","","0.2465","0.3191","","","","","","1.032","","","","has coordinates","211128","2020-10-21","18:00:00",""
"4505866","10.679","0.001","4.524","0.001","18.025","0.002","90","","116.099","0.009","90","","782","0.2","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C34 H32 N4 O8 -","2","1","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.1043","0.0572","","","0.1537","0.1837","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506123","9.4027","0.0006","6.2754","0.0003","12.4023","0.0007","90","","98.539","0.003","90","","723.69","0.07","","","173","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H18 Al F5 N10 O3 -","- C4 H18 Al F5 N10 O3 -","- C8 H36 Al2 F10 N20 O6 -","2","1","","Cadiau, A; Le Bail, A; Hemon-Ribaud, A; Leblanc, M; Body, M; Fayon, F; Durand, E; Boulou, J C; Maisonneuve, V","Evolution of Guanazolium Fluoroaluminates within the Composition-Space Diagram and with the Temperature","Crystal Growth & Design","2010","10","","5159","5168","10.1021/cg100909x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506419","16.7476","0.0006","5.3576","0.0002","9.8572","0.0003","90","","100.589","0.001","90","","869.39","0.05","100","2","100","2","","","","","","","synthesized","5","P 1 c 1","P -2yc","7","","","","- C16 H17 N O5 S3 -","- C16 H17 N O5 S3 -","- C32 H34 N2 O10 S6 -","2","1","","Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar","Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors.","ACS medicinal chemistry letters","2012","3","6","490","495","10.1021/ml300050b","","x-ray","1.54178","CuKα","","0.0244","0.0242","","","0.0629","0.0631","","","","","","1.032","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4507114","7.1717","0.0006","13.2773","0.0012","20.7542","0.0016","90","","92.463","0.004","90","","1974.4","0.3","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","EH-3-93-7 pyrazole, [(NO2)2-PhCOOH]2","","- C17 H12 N6 O12 -","- C17 H12 N6 O12 -","- C68 H48 N24 O48 -","4","2","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0725","0.0529","","","0.1044","0.1118","","","","","","1.059","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507758","10.368","0.002","9.283","0.002","16.084","0.004","90","","101.79","0.003","90","","1515.4","0.6","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H13 Cd N3 O5 -","- C15 H13 Cd N3 O5 -","- C60 H52 Cd4 N12 O20 -","4","2","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.102","0.0718","","","0.1466","0.1636","","","","","","1.091","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4508458","7.8256","0.0004","10.0204","0.0005","20.8235","0.0009","90","","90.102","0.002","90","","1632.89","0.14","288","2","288","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H12 Cd N2 O6 -","- C16 H12 Cd N2 O6 -","- C64 H48 Cd4 N8 O24 -","4","2","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0335","0.0251","","","0.0493","0.0517","","","","","","1.054","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508526","11.2479","0.0004","14.1825","0.0006","15.5718","0.0006","90","","108.49","0.0011","90","","2355.83","0.16","290","1","290","1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25.5 H26 N O7 S -","- C25.5 H26 N O7 S -","- C102 H104 N4 O28 S4 -","4","2","","Kim, Ji-Soo; Jeong, Jae-Hyeok; Yun, Hoseop; Jazbinsek, Mojca; Kim, Jun Wan; Rotermund, Fabian; Kwon, O-Pil","Crystal Engineering of Acentric Styryl Quinolinium Crystals with Strongly Hydrogen-Bonded Phenolic Anions","Crystal Growth & Design","2013","13","11","5085","","10.1021/cg401261z","","","0.71073","MoKα","","0.1336","0.0526","","","0.1335","0.1814","","","","","","1.078","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508530","11.5031","0.0014","19.732","0.002","13.1619","0.0016","90","","95.295","0.003","90","","2974.7","0.6","147","2","147","2","","","","","","","","6","P 1 c 1","P -2yc","7","β-naphthoxy-dodecafluorosubphthalocyanine","(2-naphthoxy)(dodecafluorosubphthalocyaninato)boron","","- C34 H7 B F12 N6 O -","- C34 H7 B F12 N6 O -","- C136 H28 B4 F48 N24 O4 -","4","2","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.099","0.0719","","","0.1882","0.2084","","","","","","1.029","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4509225","10.813","0.002","7.5621","0.0015","10.064","0.002","90","","112.47","0.03","90","","760.4","0.3","113.15","","113.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C8 H10 Cl0 N16 O Zn2 -","- C8 H10 N16 O Zn2 -","- C16 H20 N32 O2 Zn4 -","2","1","","Tong, Xiao-Lan; Wang, Duo-Zhi; Hu, Tong-Liang; Song, Wei-Chao; Tao, Ying; Bu, Xian-He","Zinc and Cadmium Coordination Polymers with Bis(tetrazole) Ligands Bearing Flexible Spacers: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","5","2280","","10.1021/cg8010629","","","0.71073","MoKα","","0.0391","0.0363","","","0.0821","0.0947","","","","","","1.129","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509831","13.053","0.005","6.321","0.003","7.45","0.003","90","","98.47","0.02","90","","608","0.4","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H8 N2 O4 -","- C14 H8 N2 O4 -","- C28 H16 N4 O8 -","2","1","","Perman, Jason A.; Dubois, Kevin; Nouar, Farid; Zoccali, Sandra; Wojtas, Łukasz; Eddaoudi, Mohamed; Larsen, Randy W.; Zaworotko, Michael J.","Cocrystal Controlled Solid-State Synthesis of a Thermally Stable Nicotinate Analogue That Sustains an Isostructural Series of Porous Metal−Organic Materials","Crystal Growth & Design","2009","9","12","5021","","10.1021/cg9013366","","","1.54178","CuKα","","0.0464","0.0351","","","0.0709","0.0766","","","","","","1.132","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4510120","16.9768","0.0014","6.0927","0.0005","25.167","0.0015","90","","132.421","0.003","90","","1921.7","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H37 I5 N4 O4 S2 -","- C30 H37 I5 N4 O4 S2 -","- C60 H74 I10 N8 O8 S4 -","2","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0895","0.0578","","","0.0769","0.0874","","","","","","1.012","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510200","10.627","0.002","6.2498","0.0013","17.169","0.003","90","","118.378","0.009","90","","1003.3","0.3","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H16 N4 Ni O5 -","- C20 H16 N4 Ni O5 -","- C40 H32 N8 Ni2 O10 -","2","1","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.1097","0.0562","","","0.0791","0.0963","","","","","","0.971","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510856","10.0975","0.0002","23.5055","0.0004","12.3564","0.0002","90","","100.877","0.001","90","","2880.06","0.09","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C63 H82 Br N3 O4 -","- C63 H82 Br N3 O4 -","- C126 H164 Br2 N6 O8 -","2","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0866","0.0802","","","0.2193","0.2243","","","","","","1.044","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510857","15.3033","0.0014","16.0086","0.0012","11.7349","0.0011","90","","110.679","0.003","90","","2689.6","0.4","153","2","153","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C54 H78 O12 -","- C54 H78 O12 -","- C108 H156 O24 -","2","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.1057","0.0669","","","0.1883","0.2152","","","","","","1.032","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4511617","5.6612","0.0003","5.1428","0.0003","9.5438","0.0005","90","","93.246","0.005","90","","277.42","0.03","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C4 H7 N O3 -","- C4 H7 N O3 -","- C8 H14 N2 O6 -","2","1","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.0238","0.0237","","","","0.0629","","","","","","1.0678","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4512002","10.1201","0.0003","9.7143","0.0002","14.6298","0.0005","90","","105.342","0.0012","90","","1387","0.07","120","","120","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C29 H33 N5 O5 -","- C29 H33 N5 O5 -","- C58 H66 N10 O10 -","2","1","","Ravat, Prince; Borozdina, Yulia; Ito, Yoshikazu; Enkelmann, Volker; Baumgarten, Martin","Crystal Engineering of Tolane Bridged Nitronyl Nitroxide Biradicals: Candidates for Quantum Magnets","Crystal Growth & Design","2014","14","11","5840","","10.1021/cg5010787","","","0.71073","MoKα","","0.0782","0.0617","","1.0338","0.0646","0.0646","","","","","","0.7509","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512411","16.1355","0.0006","15.7332","0.0006","18.3535","0.0007","90","","113.283","0.002","90","","4279.8","0.3","90","2","90","2","","","","","","","","2","P 1 c 1","P -2yc","7","C60 . 2 S8 (delta, 90 K)","","","- C60 S16 -","- C60 S16 -","- C240 S64 -","4","2","","Ghiassi, Kamran B.; Chen, Susanne Y.; Wescott, Joseph; Balch, Alan L.; Olmstead, Marilyn M.","New Insights into the Structural Complexity of C60·2S8: Two Crystal Morphologies, Two Phase Changes, Four Polymorphs","Crystal Growth & Design","2015","15","1","404","","10.1021/cg501486x","","","0.71073","MoKα","","0.0274","0.0269","","","0.0728","0.0732","","","","","","1.046","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4513057","5.021","0.004","15.393","0.011","8.631","0.006","90","","95.052","0.009","90","","664.5","0.8","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","mCyPU-H2O-II","N,N'-bis(3-Cyanophenyl)urea monohydrate","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C30 H24 N8 O4 -","2","1","","Capacci-Daniel, Christina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Heyrana, Katrina; Khatri, Natasha M.; Solomos, Marina A.; Swift, Jennifer A.","Structural Diversity in 1,3-Bis(m-cyanophenyl)urea","Crystal Growth & Design","2015","15","5","2373","","10.1021/acs.cgd.5b00168","","","0.71073","MoKα","","0.1892","0.0704","","","0.1318","0.1806","","","","","","0.947","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513381","14.441","0.003","10.325","0.002","8.9596","0.0018","90","","96.25","0.03","90","","1328","0.5","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C26 H18 N10 O4 Zn2 -","- C26 H18 N10 O4 Zn2 -","- C52 H36 N20 O8 Zn4 -","2","1","","Liu, Dong-Sheng; Sui, Yan; Chen, Wen-Tong; Feng, Pingyun","Two New Nonlinear Optical and Ferroelectric Zn(II) Compounds Based on Nicotinic Acid and Tetrazole Derivative Ligands","Crystal Growth & Design","2015","15","8","4020","","10.1021/acs.cgd.5b00637","","","0.71073","MoKα","","0.0444","0.0399","","","0.0806","0.0952","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513554","13.562","0.002","3.8415","0.0007","22.846","0.004","90","","93.241","0.007","90","","1188.3","0.3","296","2","296","2","","","","","","","","3","P 1 c 1","P -2yc","7","4","","","- C15 H10 O5 -","- C15 H10 O5 -","- C60 H40 O20 -","4","2","","Zhu, Bingqing; Wang, Jian-Rong; Mei, Xuefeng","Insight into the Phase Transformation among Various Solid Forms of Baicalein","Crystal Growth & Design","2015","15","10","4959","","10.1021/acs.cgd.5b00858","","","0.71073","MoKα","","0.1729","0.0821","","","0.0884","0.1045","","","","","","1.123","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513742","5.238","0.002","12.589","0.002","11.597","0.003","90","","91.334","0.015","90","","764.5","0.4","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Nicholls, Thomas P.; Constable, Grace E.; Robertson, Johnathon C.; Gardiner, Michael G.; Bissember, Alex C.","Brønsted Acid Cocatalysis in Copper(I)-Photocatalyzed α-Amino C‒H Bond Functionalization","ACS Catalysis","2016","6","1","451","","10.1021/acscatal.5b02014","","","0.7109","Synchrotron","","0.0378","0.0365","","","0.0982","0.1021","","","","","","1.061","","","","has coordinates","175758","2020-10-21","18:00:00",""
"4514621","11.4615","0.0014","5.5002","0.0006","12.6887","0.0013","90","","105.131","0.012","90","","772.17","0.16","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","","Yang, Hui; Wei, Guo; Jiang, Zhiyong","Access to Isoxazolidines through Visible-Light-Induced Difunctionalization of Alkenes","ACS Catalysis","2019","9","10","9599","","10.1021/acscatal.9b03567","","x-ray","1.54184","CuKα","","0.051","0.04","","","0.0923","0.1018","","","","","","1.081","","","","has coordinates,has disorder","219806","2020-10-21","18:00:00",""
"4515036","21.5202","0.0011","10.7072","0.0005","24.894","0.0013","90","","105.722","0.002","90","","5521.5","0.5","150","2","150","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C56 H72 F6 N6 O3 P Rh -","- C56 H72 F6 N6 O3 P Rh -","- C224 H288 F24 N24 O12 P4 Rh4 -","4","2","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0399","0.0313","","","0.0617","0.0643","","","","","","1.038","","","","has coordinates,has disorder","220166","2020-10-21","18:00:00",""
"4515406","16.88","0.002","10.011","0.0012","9.7853","0.0013","90","","97.243","0.009","90","","1640.4","0.4","296","2","296.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H17 F N2 O -","- C20 H17 F N2 O -","- C80 H68 F4 N8 O4 -","4","2","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.1062","0.0753","","","0.2033","0.2355","","","","","","1.039","","","","has coordinates","225560","2020-10-21","18:00:00",""
"4515978","8.6545","0.0008","10.983","0.0009","23.2849","0.0019","90","","90.049","0.003","90","","2213.3","0.3","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H37 Br2 N Ni P2 -","- C16 H37 Br2 N Ni P2 -","- C64 H148 Br8 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.0889","0.0543","","","0.0902","0.1","","","","","","1.002","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515989","8.7102","0.0003","10.8084","0.0004","22.818","0.0007","90","","90.016","0.001","90","","2148.16","0.13","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H37 Cl2 N Ni P2 -","- C16 H37 Cl2 N Ni P2 -","- C64 H148 Cl8 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0235","0.0211","","","0.0471","0.0485","","","","","","1.049","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4516086","15.9559","0.0008","20.5495","0.0009","9.8687","0.0004","90","","105.489","0.003","90","","3118.3","0.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C38 H26 N2 O6 Zn -","- C38 H26 N2 O6 Zn -","- C152 H104 N8 O24 Zn4 -","4","2","","Dutta, Basudeb; Dey, Arka; Maity, Suvendu; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Supramolecular Assembly of a Zn(II)-Based 1D Coordination Polymer through Hydrogen Bonding and π···π Interactions: Crystal Structure and Device Applications.","ACS omega","2018","3","9","12060","12067","10.1021/acsomega.8b01924","","","0.71073","MoKα","","0.115","0.0691","","","0.1574","0.1818","","","","","","1.033","","","","has coordinates","226099","2020-10-21","18:00:00",""
"4516174","5.843","0.0002","3.9026","0.0002","30.318","0.002","90","","94.535","0.004","90","","689.17","0.06","293","1","293","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H11 N O2 -","- C19 H11 N O2 -","- C38 H22 N2 O4 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0547","0.0498","","","0.1352","0.1484","","","","","","1.119","","","","has coordinates","226165","2020-10-21","18:00:00",""
"4517743","23.61","0.0006","8.2626","0.0001","12.5919","0.0003","90","","97.306","0.002","90","","2436.48","0.09","130","2","130","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C58 H46 N10 O6 -","- C58 H46 N10 O6 -","- C116 H92 N20 O12 -","2","1","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","1.54184","CuKα","","0.079","0.0629","","","0.1717","0.1821","","","","","","1.048","","","","has coordinates","252995","2020-10-21","18:00:00",""
"4518489","21.42","0.004","5.19","0.001","16.74","0.003","90","","106.8","0.03","90","","1781.6","0.6","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","2","","Cho, Hye Jin; Kim, Kyung-Su; Kim, Hyunwoo; Kim, Taewoo; Malyutin, Andrey G.; Rees, Douglas C.; Yoo, Byung-Kuk; Song, Changsik","Microcrystal Electron Diffraction Elucidates Water-Specific Polymorphism-Induced Emission Enhancement of Bis-arylacylhydrazone.","ACS applied materials & interfaces","2021","13","6","7546","7555","10.1021/acsami.0c21248","","","0.02508","200keVelectrons","","0.1575","0.1492","","","0.3564","0.3641","","","","","","1.379","","","","has coordinates","262438","2021-03-04","02:50:33",""
"4518541","19.1327","0.0017","7.2972","0.0005","6.373","0.0005","90","","91.194","0.008","90","","889.57","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H16 O S -","- C26 H16 O S -","- C52 H32 O2 S2 -","2","1","","Wang, Jiangfeng; He, Yaowu; Guo, Shenghui; Ali, Muhammad Umair; Zhao, Changbin; Zhu, Yanan; Wang, Tao; Wang, Yunrui; Miao, Jingsheng; Wei, Guodan; Meng, Hong","Multifunctional Benzo[4,5]thieno[3,2-<i>b</i>]benzofuran Derivative with High Mobility and Luminescent Properties.","ACS applied materials & interfaces","2021","13","10","12250","12258","10.1021/acsami.0c21286","","x-ray","0.71073","MoKα","","0.0872","0.0841","","","0.2262","0.2287","","","","","","1.099","","","","has coordinates","263570","2021-04-04","09:55:25",""
"4519425","3.6294","0.0006","8.1444","0.0013","9.4044","0.0016","90","","97.981","0.006","90","","275.29","0.08","273","2","273","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C4 H3 Na O5 -","- C4 H3 Na O5 -","- C8 H6 Na2 O10 -","2","1","","Zhang, Xiaodong; Cao, Dongxu; Yang, Daqing; Wang, Ying; Wu, Kui; Lee, Ming-Hsien; Zhang, Bingbing","Finding the First Squarates Nonlinear Optical Crystal NaHC4O4·H2O with Strong Second Harmonic Generation and Giant Birefringence","ACS Materials Letters","2022","","","572","576","10.1021/acsmaterialslett.2c00114","","","0.71073","MoKα","","0.0216","0.0209","","","0.055","0.0557","","","","","","1.06","","","","has coordinates","274276","2022-04-03","20:34:42",""
"5000400","8.293","0.002","12.462","0.003","16.333","0.003","90","","98.21","0.03","90","","1670.6","0.6","108","2","108","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C15 H24 F2.5 Ir0.5 O P Si0.5 -","- C15 H23 F2.5 Ir0.5 O P Si0.5 -","- C60 H92 F10 Ir2 O4 P4 Si2 -","4","2","","","","","","","","","","","","","0.71069","MoKα","","0.0448","0.0421","","0.1211","0.1195","","","","1.109","1.119","1.119","","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5910115","5.377","0.004","6.882","0.005","8.255","0.008","90","","102.2","0.1","90","","298.6","0.4","","","87","","","","","","","","","3","P 1 c 1","P -2yc","7","","Ethanol","","- C2 H6 O -","- C2 H6 O -","- C8 H24 O4 -","4","2","A13077","P.-G. Jönsson","Hydrogen bond studies. CXIII. The crystal structure of ethanol at 87 K","Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem.","1976","32","","232","235","10.1107/S0567740876002653","","","","","","","0.028","","","0.028","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000237","3.0844","","9.508","","9.993","","90","","91.01","","90","","293.01","","","","","","","","","","","","","4","P 1 c 1","","","","","","- Fe2 H5 N O8 -","","","","","","Pelloquin, L.; Louer, M.; Louer, D.","A powder diffraction study of iron oxide hydroxide nitrate, Fe2O(OH)(3)NO3.H2O: ab initio structure determination and anion exchange reactions","Anales de Quimica International Edition","1998","94","","369","373","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000736","3.0844","","9.508","","9.993","","90","","91.01","","90","","293.01","","","","","","","","","","","","","4","P 1 c 1","","","","","","- Fe2 H5 N O8 -","","","","","","Pelloquin, L.; Louer, M.; Louer, D.","A powder diffraction study of iron oxide hydroxide nitrate, Fe2O(OH)(3)NO3 .H2O: ab initio structure determination and anion exchange reactions","Anales de Quimica International Edition","1998","94","","369","373","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000016","9.2935","0.0019","9.918","0.002","13.163","0.003","90","","104.62","0.03","90","","1174","0.5","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C23 H27 B F4 Fe O3 Ru -","- C23 H27 B F4 Fe O3 Ru -","- C46 H54 B2 F8 Fe2 O6 Ru2 -","2","1","","Dennett, James N. L.; Knox, Selby A. R.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Orpen, A. Guy","The synthesis of [FeRu(CO)2(mu-CO)2(eta-C5H5)(eta-C5Me5)] and convenient entries to its organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","1","63","73","10.1039/b414412k","","","0.71073","MoKα","","0.024","0.0204","","","0.0396","0.0404","","","","","","0.943","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000120","9.269","0.003","8.222","0.002","17.337","0.005","90","","103.143","0.006","90","","1286.6","0.6","173.1","","","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C20 H24 Cl4 Mo N O S4 -","- C20 H24 Cl4 Mo N O S4 -","- C40 H48 Cl8 Mo2 N2 O2 S8 -","2","1","","Sugimoto, Hideki; Tarumizu, Makoto; Tanaka, Koji; Miyake, Hiroyuki; Tsukube, Hiroshi","A new series of molybdenum-(IV), -(V), and -(VI) dithiolate compounds as active site models of molybdoenzymes: preparation, crystal structures, spectroscopic/electrochemical properties and reactivity in oxygen atom transfer.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3558","3565","10.1039/b503828f","","","0.7107","MoKα","","","0.052","","","","0.098","","","","","","0.974","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000169","34.324","0.007","6.385","0.0013","12.625","0.003","90","","92.05","0.03","90","","2765.1","1","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H30 Cl2 P2 Pt -","- C15 H30 Cl2 P2 Pt -","- C90 H180 Cl12 P12 Pt6 -","6","3","","Haddow, Mairi F.; Middleton, Ann J.; Orpen, A. Guy; Pringle, Paul G.; Papp, Rainer","Stereoelectronic effects in a homologous series of bidentate cyclic phosphines. A clear correlation of hydroformylation catalyst activity with ring size","Dalton Transactions","2009","","1","202","209","10.1039/B815056G","","","0.71073","MoKα","","0.0299","0.0281","","","0.0684","0.0693","","","","","","1.045","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000350","4.6283","0.0003","9.458","0.0006","9.0071","0.0005","90","","119.343","0.004","90","","343.7","0.04","200","2","200","","","","","","","","","4","P 1 c 1","P -2yc","7","5-aminotetrazolium dinitramide","5-aminotetrazolium dinitramide","","- C H4 N8 O4 -","- C H4 N8 O4 -","- C2 H8 N16 O8 -","2","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","Azidoformamidinium and 5-aminotetrazolium dinitramide—two highly energetic isomers with a balanced oxygen content","Dalton Transactions","2009","","","","","10.1039/b811767e","","","0.71073","MoKα","","0.0498","0.0307","","","0.0603","0.0638","","","","","","0.864","","","","has coordinates","179681","2020-10-21","18:00:00",""
"7001145","9.3686","0.0006","12.334","0.0008","7.6777","0.0005","90","","96.13","0.001","90","","882.1","0.1","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","(HN$CH!N)(AuCl4)","","","- C16 H13 Au Cl4 N2 -","- C16 H13 Au Cl4 N2 -","- C32 H26 Au2 Cl8 N4 -","2","1","","Stoccoro, Sergio; Alesso, Giuseppe; Cinellu, Maria Agostina; Minghetti, Giovanni; Zucca, Antonio; Manassero, Mario; Manassero, Carlo","Reactivity of 1,3-bis(2-pyridyl)benzene, N⁁CH⁁N, with gold(iii) chlorides: salts, adducts and cyclometalated pincer derivatives. Crystal and molecular structures of [HN⁁CH⁁N][AuCl4], [Au(N⁁C⁁N)Cl][PF6] and [Au(N⁁C⁁N)Cl(PPh3)2][PF6]","Dalton Transactions","2009","","18","3467","3477","10.1039/b822842f","","","0.71073","Mo-Kα","","0.031","0.031","","","0.045","","","","1.036","1.036","1.036","","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001692","11.691","0.002","16.641","0.003","16.834","0.003","90","","100.48","0.03","90","","3220.4","1","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C34 H48 Mo N2 O4 -","- C34 H48 Mo N2 O4 -","- C136 H192 Mo4 N8 O16 -","4","2","","Lyashenko, Ganna; Saischek, Gerald; Judmaier, Martina E.; Volpe, Manuel; Baumgartner, Judith; Belaj, Ferdinand; Jancik, Vojtech; Herbst-Irmer, Regine; Mösch-Zanetti, Nadia C.","Oxo-molybdenum and oxo-tungsten complexes of Schiff bases relevant to molybdoenzymes","Dalton Transactions","2009","","29","5655","","10.1039/b820629e","","","0.71073","MoKα","","0.0679","0.0638","","","0.1542","0.1576","","","","","","1.13","","","","has coordinates","179714","2020-10-21","18:00:00",""
"7001843","11.8808","0.0012","5.3522","0.0003","17.1234","0.0012","90","","125.214","0.003","90","","889.59","0.12","295","2","295","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C10 H10 Ag3 N3 O12 S2 -","- C10 H10 Ag3 N3 O12 S2 -","- C20 H20 Ag6 N6 O24 S4 -","2","1","","Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","A series of silver(i) pyridone-sulfonates with 1-D “butterfly” chain, 2-D lamellar network and 3-D pillared layered frameworks: syntheses, structures and characterizations","Dalton Transactions","2009","","33","6552","6561","10.1039/b907389b","","","0.71073","MoKα","","0.031","0.0272","","","0.0619","0.0699","","","","","","1.108","","","","has coordinates","179716","2020-10-21","18:00:00",""
"7003857","12.258","0.005","10.481","0.004","16.149","0.005","90","","124.9","0.02","90","","1701.6","1.2","153","2","153","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C37 H44 B Cl2 N3 -","- C37 H44 B Cl2 N3 -","- C74 H88 B2 Cl4 N6 -","2","1","","Findlater, Michael; Hill, Nicholas J.; Cowley, Alan H.","Synthesis and structure of two new (guanidinate)boron dichlorides and their attempted conversion to boron(i) derivatives","Dalton Transactions","2008","","33","4419","4423","10.1039/b800625c","","","0.71069","MoKα","","0.1455","0.0581","","","0.1242","0.1812","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7004335","9.5851","0.0008","6.0542","0.0005","9.5865","0.0009","90","","103.269","0.003","90","","541.45","0.08","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C3 H4 Fe O5 -","- C3 H4 Fe O5 -","- C12 H16 Fe4 O20 -","4","2","","Zhang, Bin; Zhang, Yan; Zhang, Jinbiao; Li, Junchao; Zhu, Daoben","A neutral molecular-based layered magnet [Fe(C2O4)(CH3OH)]n exhibiting magnetic ordering at TN ≈ 23 K","Dalton Transactions","2008","","37","5037","5040","10.1039/b805776a","","","0.71073","MoKα","","0.1065","0.0661","","","0.148","0.1644","","","","","","0.972","","","","has coordinates","179747","2020-10-21","18:00:00",""
"7004869","11.066","0.002","10.003","0.002","16.371","0.005","90","","129.95","0.02","90","","1389.2","0.7","173","2","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H22 B2 Cl6 P2 -","- C25 H22 B2 Cl6 P2 -","- C50 H44 B4 Cl12 P4 -","2","1","","Charmant, Jonathan P. H.; Fan, Cheng; Norman, Nicholas C.; Pringle, Paul G.","Synthesis and reactivity of dichloroboryl complexes of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2007","","1","114","123","10.1039/b612039n","","x-ray","0.71074","MoKα","","0.0304","0.0293","","","0.0671","0.0677","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7005863","10.1181","0.0013","10.9537","0.0014","17.301","0.002","90","","106.262","0.002","90","","1840.8","0.4","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C38 H32 Cl2 Fe2 O4 P2 S2 -","- C38 H32 Cl2 Fe2 O4 P2 S2 -","- C76 H64 Cl4 Fe4 O8 P4 S4 -","2","1","","Adam, Fatima I.; Hogarth, Graeme; Richards, Idris; Sanchez, Benjamin E.","Models of the iron-only hydrogenase: structural studies of chelating diphosphine complexes [Fe2(CO)4(micro-pdt)(kappa2P,P'-diphosphine)].","Dalton transactions (Cambridge, England : 2003)","2007","","24","2495","2498","10.1039/b706123b","","","0.71073","MoKα","","0.0422","0.0381","","","0.0856","0.0874","","","","","","1.013","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7007823","8.0368","0.0004","12.3095","0.0005","14.0307","0.0007","90","","91.717","0.005","90","","1387.42","0.11","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H30 B20 Se2 -","- C16 H30 B20 Se2 -","- C32 H60 B40 Se4 -","2","1","","Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Arca, Massimiliano; Lippolis, Vito; Crespo, Eulàlia; Viñas, Clara","Synthesis, reactivity and structural studies of selenide bridged carboranyl compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5240","5247","10.1039/b610944f","","x-ray","0.71073","Mokα","","0.0505","0.0374","","","0.069","0.073","","","","","","1.026","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7008037","7.1766","0.0017","15.917","0.004","17.041","0.004","90","","92.13","0.02","90","","1945.2","0.8","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Compound 3a","","- C46 H32 Au2 P2 S2 -","- C46 H32 Au2 P2 S2 -","- C92 H64 Au4 P4 S4 -","2","1","","Li, Peiyi; Ahrens, Birte; Feeder, Neil; Raithby, Paul R.; Teat, Simon J.; Khan, Muhammad S.","Luminescent digold ethynyl thienothiophene and dithienothiophene complexes; their synthesis and structural characterisation","Dalton transactions (Cambridge, England : 2003)","2005","","5","874","883","10.1039/b415965a","","","0.6887","Synchrotron","","0.0439","0.0428","","","0.1091","0.1103","","","","","","1.042","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008287","8.011","0.003","13.616","0.002","11.955","0.003","90","","107.8","0.03","90","","1241.6","0.6","160","2","160","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H34 B10 Ru -","- C24 H34 B10 Ru -","- C48 H68 B20 Ru2 -","2","1","","Burke, Anthony; Ellis, David; Ferrer, Daniel; Ormsby, Daniel L.; Rosair, Georgina M.; Welch, Alan J.","Synthetic, spectroscopic, computational and structural studies of some 13-vertex ruthenacarboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1716","1721","10.1039/b500944h","","","0.71073","MoKα","","0.0368","0.0331","","","0.0824","0.0842","","","","","","1.044","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008426","9.482","0.002","14.275","0.005","9.753","0.002","90","","93.49","0.02","90","","1317.7","0.6","294","1","294","1","","","","","","","synthesized by the authors, see text","6","P 1 c 1","P -2yc","7","","","","- C23 H29 B6 P Ru S2 -","- C23 H29 B6 P Ru S2 -","- C46 H58 B12 P2 Ru2 S4 -","2","1","","Ferguson, George; Gallagher, John F.; Kennedy, John D.; McCarthy, Donogh M.; Spalding, Trevor R.","Coordination and cluster compounds of ruthenium with the [hypho-1,2-S2B6H9]- ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1979","1984","10.1039/b502846a","","","0.71073","MolybdenumKα","","0.0421","0.0348","","","0.0863","0.0896","","","","","","0.997","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008862","19.075","0.002","13.2833","0.0014","24.916","0.003","90","","110.643","0.002","90","","5907.9","1.1","173","2","273","2","","","","","","","","5","P 1 c 1","P -2yc","7","Compound 6, Ce - tripod diamide","","","- C93 H168 Ce2 N12 O35 -","- C90 H142 Ce2 N12 O32 -","- C180 H284 Ce4 N24 O64 -","2","1","","Matloka, Kornelia; Gelis, Artem; Regalbuto, Monica; Vandegrift, George; Scott, Michael J.","Highly efficient binding of trivalent f-elements from acidic media with a C3-symmetric tripodal ligand containing diglycolamide arms","Dalton Transactions","2005","","23","3719","","10.1039/b513745d","","","0.71073","MoKα","","0.1424","0.077","","","0.1666","0.1889","","","","","","0.929","","","","has coordinates","209504","2020-10-21","18:00:00",""
"7008881","10.932","0.0003","17.973","0.0004","32.016","0.0007","90","","94.0678","0.0008","90","","6274.7","0.3","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C53.5 H85.5 O12 Si8 Sn -","- C53.25 H84.25 O12 Si8 Sn -","- C213 H337 O48 Si32 Sn4 -","4","2","","Severn, John R.; Duchateau, Robbert; van Santen, Rutger A.; Ellis, Dianne D.; Spek, Anthony L.; Yap, Glenn P. A.","Silsesquioxane-bonded zirconocene complexes; soluble models for silica-tethered olefin polymerization catalysts","Dalton Transactions","2003","","11","2293","","10.1039/b300698k","","","0.71073","MoKα","","0.0875","0.0708","","","0.1643","0.1738","","","","","","1.084","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7010088","6.7128","0.0007","8.2692","0.0012","12.497","0.002","90","","104.418","0.011","90","","671.85","0.16","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C11 H11 Cl N O5 Re -","- C11 H11 Cl N O5 Re -","- C22 H22 Cl2 N2 O10 Re2 -","2","1","","Creber, Michel L.; Orrell, Keith G.; Osborne, Anthony G.; Šik, Vladimir; Hursthouse, Michael B.; Abdul Malik, K. M.","Dynamic NMR investigations of fluxionality of 2-(dimethoxymethyl)pyridine and 2,6-bis(dimethoxymethyl)pyridine in rhenium(I) and platinum(IV) complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","22","4218","","10.1039/b005821l","","","0.71069","MoKα","","0.0519","0.0486","","0.1246","0.1243","0.1408","","","1.091","1.112","1.112","0.993","","","","has coordinates","179804","2020-10-21","18:00:00",""
"7010611","8.297","0.001","7.9377","0.0009","17.184","0.002","90","","92.396","0.002","90","","1130.7","0.2","297","2","297","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C5.5 H9.5 Cd N3.5 Se2 -","- C5.5 H9.5 Cd N3.5 Se2 -","- C22 H38 Cd4 N14 Se8 -","4","2","","Maji, Tapas Kumar; Sain, Saugata; Mostafa, Golam; Das, Debasis; Lu, Tian-Huey; Chaudhuri, Nirmalendu Ray","Synthesis and crystal structure of selenocyanato bridged two dimensional supramolecular coordination compounds of cadmium(ii)Electronic supplementary information (ESI) available: Corey–Pauling–Koltun diagram of 2. See http://www.rsc.org/suppdata/dt/b1/b101064f/","Journal of the Chemical Society, Dalton Transactions","2001","","21","3149","","10.1039/b101064f","","","0.71073","MoKα","","0.0529","0.0432","","","0.1033","0.108","","","","","","0.972","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011798","8.0852","0.0018","11.637","0.002","14.389","0.003","90","","105.825","0.017","90","","1302.5","0.5","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C56 H48 N8 O4 S4 -","4","2","","Kim, Yong-Joo; Joo, Young-Seon; Han, Jin-Taek; Han, Won Seok; Lee, Soon W.","Synthesis, structures and properties of bis(carbodiimido) complexes of Ni(ii), Pd(ii) and Pt(ii)","Journal of the Chemical Society, Dalton Transactions","2002","","18","3611","","10.1039/b204179k","","","0.71073","MoKα","","0.1323","0.0824","","","0.2218","0.271","","","","","","1.022","","","","has coordinates","179821","2020-10-21","18:00:00",""
"7012216","15.499","0.0003","5.722","0.0001","8.153","0.0001","90","","104.34","0.001","90","","700.52","0.02","143","2","143","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H7 N Na O2.5 -","- C7 H7 N Na O2.5 -","- C28 H28 N4 Na4 O10 -","4","2","","Frank Wiesbrock; Hubert Schmidbaur","The structural chemistry of lithium, sodium and potassium anthranilate hydrates","J. Chem. Soc., Dalton Trans.","2002","","24","4703","4708","10.1039/b208836n","","","0.71073","MoKα","","0.0313","0.0313","","","0.0814","0.0815","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012691","22.87","0.005","18.41","0.004","10.36","0.002","90","","93.26","0.03","90","","4354.9","1.6","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C45 H63 N7 O6 -","- C45 H63 N7 O6 -","- C180 H252 N28 O24 -","4","2","","Akkus, Nilgun; Campbell, John C.; Davidson, James; Henderson, David K.; Miller, Hamish A.; Parkin, Andrew; Parsons, Simon; Plieger, Paul G.; Swart, Ronald M.; Tasker, Peter A.; West, Lee C.","Exploiting supramolecular chemistry in metal recovery: novel zwitterionic extractants for nickel(ii) saltsBased on the presentation given at Dalton Discussion No. 5, 10?12th April 2003, Noordwijkerhout, The Netherlands.","Dalton Transactions","2003","","10","1932","","10.1039/b300176h","","","1.54184","CuKα","","0.0473","0.0434","","","0.1178","0.1216","","","","","","1.018","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012902","8.96","0.002","12.11","0.003","14.639","0.004","90","0.03","101.89","0.02","90","0.02","1554.3","0.7","173","2","173","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C27 H40 F6 N6 O2 P Rh -","- C27 H38 F6 N6 O2 P Rh -","- C54 H76 F12 N12 O4 P2 Rh2 -","2","1","","Adams, Christopher J.; Connelly, Neil G.; Emslie, David J. H.; Hayward, Owen D.; Manson, Tania; Guy Orpen, A.; Rieger, Philip H.","The substitution chemistry of the tris(3,5-dimethylpyrazolyl)methanerhodium complex [Rh(CO)2{HC(pz?)3}]+","Dalton Transactions","2003","","14","2835","","10.1039/b302440g","","","0.71073","MoKα","","0.0675","0.0427","","","0.0776","0.0846","","","","","","0.951","","","","has coordinates","179833","2020-10-21","18:00:00",""
"7014006","7.4206","0.0005","13.0519","0.0009","16.7285","0.0012","90","","93.754","0.001","90","","1616.73","0.19","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C17 H32 Mn2 N12 O20 -","- C17 H32 Mn2 N12 O20 -","- C34 H64 Mn4 N24 O40 -","2","1","","Zhao, Liang; Niel, Virginie; Thompson, Laurence K.; Xu, Zhiqiang; Milway, Victoria A.; Harvey, Rosemary G.; Miller, David O.; Wilson, Claire; Leech, Michael; Howard, Judith A. K.; Heath, Sarah L.","Self-assembled polynuclear clusters derived from some flexible polydentate dihydrazide ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1446","1455","10.1039/b317091h","","","0.71073","MoKα","","0.047","0.0403","","","0.1007","0.1048","","","","","","1.003","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014219","15.5342","0.0015","8.9196","0.0012","21.608","0.002","90","","90.296","0.009","90","","2993.9","0.6","193","2","193","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C66 H82 Al Cl N4 O2 -","- C66 H82 Al Cl N4 O2 -","- C132 H164 Al2 Cl2 N8 O4 -","2","1","","Gibson, Vernon C.; Nienhuis, Drew; Redshaw, Carl; White, Andrew J. P.; Williams, David J.","Bis(imino)phenoxide complexes of aluminium.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1761","1765","10.1039/b403752a","","","1.54178","CuKα","","0.0752","0.0616","","0.1592","0.1463","","","","1.049","1.075","1.075","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014822","11.617","0.004","10.67","0.004","15.83","0.006","90","","108.996","0.006","90","","1855.3","1.2","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C40 H48 N2 O8 Zn2 -","- C40 H48 N2 O8 Zn2 -","- C80 H96 N4 O16 Zn4 -","2","1","","Zhang, Wei Hong; Dong, Zhe; Wang, Yao Yu; Hou, Lei; Jin, Jun Cheng; Huang, Wen Huan; Shi, Qi Zhen","Synthesis, structural diversity and fluorescent characterisation of a series of d10 metal‒organic frameworks (MOFs): reaction conditions, secondary ligand and metal effects","Dalton Transactions","2011","40","11","2509","","10.1039/c0dt01206h","","","0.71073","MoKα","","0.0769","0.0519","","","0.1266","0.1579","","","","","","0.966","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7015083","9.4696","0.0002","11.5952","0.0002","9.5469","0.0002","90","","119.389","0.001","90","","913.36","0.03","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H20 Au Cl N2 -","- C19 H20 Au Cl N2 -","- C38 H40 Au2 Cl2 N4 -","2","1","","Bouhrara, Mohamed; Jeanneau, Erwan; Veyre, Laurent; Copéret, Christophe; Thieuleux, Chloé","Dissymmetric gold(I) N-heterocyclic carbene complexes: a key unexpected structural parameter for highly efficient catalysts in the addition of alcohols to internal alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2995","2999","10.1039/c0dt00932f","","","0.71069","MoKα","","0.0225","0.022","","0.0571","0.0567","0.0571","","","","","","1.2724","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015141","10.7296","0.0002","25.7495","0.0004","11.2096","0.0002","90","","97.289","0.002","90","","3071.98","0.09","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C32 H30 Cl2 F6 Fe3 O P -","- C32 H30 Cl2 F6 Fe3 O P -","- C128 H120 Cl8 F24 Fe12 O4 P4 -","4","2","","Butenschön, Holger; Ma, Jingxiang; Daniliuc, Constantin G.; Nowik, Israel; Herber, Rolfe H.","One electron oxidation of triferrocenylmethanol: synthesis, metal atom dynamics, electron delocalization, and the crystal structure of [Fc3COH](+) PF6⁻.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3671","3676","10.1039/c0dt01248c","","","1.54184","CuKα","","0.0469","0.0434","","","0.1114","0.1131","","","","","","1.107","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015273","13.8187","0.0008","19.7414","0.0012","13.2414","0.0007","90","","109.469","0.001","90","","3405.7","0.3","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C64 H62 Ag3 Cl3 N14 O13 -","- C64 H60 Ag3 Cl3 N14 O13 -","- C128 H120 Ag6 Cl6 N28 O26 -","2","1","","Chakraborty, Biswarup; Halder, Partha; Paine, Tapan Kanti","Conformational supramolecular isomerism in one-dimensional silver(I) coordination polymer of a flexible bis(bidentate) N,N-donor ligand with p-xylyl spacer.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3647","3654","10.1039/c0dt01429j","","","0.71073","MoKα","","0.0617","0.0435","","","0.0987","0.1081","","","","","","1.027","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015593","7.5563","0.0015","6.4524","0.0013","14.574","0.004","90","","121.23","0.02","90","","607.6","0.3","93","2","93","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Al4 Ba Se7 -","- Al4 Ba Se7 -","- Al8 Ba2 Se14 -","2","1","","Mei, Dajiang; Yin, Wenlong; Bai, Lei; Lin, Zheshuai; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng","BaAl4Se7: a new infrared nonlinear optical material with a large band gap.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3610","3615","10.1039/c0dt01756f","","","0.71073","MoKα","","0.0524","0.0464","","","0.0888","0.0908","","","","","","1.009","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015869","13.9419","0.0003","10.2272","0.0002","24.4742","0.0005","90","","103.448","0.001","90","","3394.01","0.12","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C152 H129 N19 O20 Sn2 -","- C152 H125 N19 O20 Sn2 -","- C152 H125 N19 O20 Sn2 -","1","0.5","","Lang, Thomas; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais","An oscillating molecular turnstile.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5244","5248","10.1039/c1dt10184f","","","0.71073","MoKα","","0.0695","0.0526","","","0.1248","0.1379","","","","","","1.01","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7016108","10.483","0.0003","12.0326","0.0004","8.1257","0.0002","90","","91.893","0.002","90","","1024.4","0.05","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C12 H26 N2 O2 Pb S4 -","- C12 H26 N2 O2 Pb S4 -","- C24 H52 N4 O4 Pb2 S8 -","2","1","","Clark, J. M.; Kociok-Köhn, G; Harnett, N. J.; Hill, M. S.; Hill, R.; Molloy, K. C.; Saponia, H.; Stanton, D.; Sudlow, A.","Formation of PbS materials from lead xanthate precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6893","6900","10.1039/c1dt10273g","","","0.71073","MoKα","","0.0624","0.0473","","","0.102","0.1101","","","","","","1.03","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016513","11.882","0.002","25.205","0.005","20.961","0.004","90","","99.5","0.03","90","","6191","2","123","2","123","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C108.5 H126 Cl5 Cu4 Mo4 N7 O16 P4 S8 -","- C108.5 H126 Cl5 Cu4 Mo4 N7 O16 P4 S8 -","- C217 H252 Cl10 Cu8 Mo8 N14 O32 P8 S16 -","2","1","","Ren, Zhi-Gang; Sun, Sha; Dai, Min; Wang, Hui-Fang; Lü, Chun-Ning; Lang, Jian-Ping; Sun, Zhen-Rong","Assembly of bicyclic or monocyclic clusters from [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)(CuMeCN)(2)](2+) with tetraphosphine or N,P mixed ligands: syntheses, structures and enhanced third-order NLO performances.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8391","8398","10.1039/c1dt10685f","","","0.71073","MoKα","","0.1211","0.0954","","","0.1861","0.2091","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016870","14.095","0.001","9.04","0.001","16.233","0.001","90","","122.384","0.004","90","","1746.7","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C39 H34 Cl2 N2 Ni O2 P2 -","- C39 H34 Cl2 N2 Ni O2 P2 -","- C78 H68 Cl4 N4 Ni2 O4 P4 -","2","1","","Cao, Thi-Phuong-Anh; Labouille, Stéphanie; Auffrant, Audrey; Jean, Yves; Le Goff, Xavier F.; Le Floch, Pascal","Pd(ii) and Ni(ii) complexes featuring a ""phosphasalen"" ligand: synthesis and DFT study.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10029","10037","10.1039/c1dt10906e","","","0.71069","MoKα","","0.0521","0.0449","","","0.1166","0.1219","","","","","","1.044","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7017135","20.91","0.006","5.727","0.004","9.4091","0.0012","90","0","101.318","0.033","90","0","1104.8","0.9","89","2","89","2","","","","","","","","4","P 1 c 1","P -2yc","7","di-triazole","","","- C26 H24 N6 O2 -","- C26 H24 N6 O2 -","- C52 H48 N12 O4 -","2","1","","Scott, Synøve Ø; Gavey, Emma L.; Lind, Samuel J.; Gordon, Keith C.; Crowley, James D.","Self-assembled palladium(ii) ""click"" cages: synthesis, structural modification and stability.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12117","12124","10.1039/c1dt10551e","","","0.71069","MoKα","","0.0368","0.0315","","","0.0757","0.0864","","","","","","1.116","","","","has coordinates","288182","2023-12-08","13:20:07",""
"7017534","8.715","0.0003","9.285","0.0003","7.789","0.0004","90","","113.517","0.002","90","","577.93","0.04","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H18 N2 Ni S2 -","- C8 H18 N2 Ni S2 -","- C16 H36 N4 Ni2 S4 -","2","1","","Hosler, Erik R.; Herbst, Robert W.; Maroney, Michael J.; Chohan, Balwant S.","Exhaustive oxidation of a nickel dithiolate complex: some mechanistic insights en route to sulfate formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","804","816","10.1039/c1dt11032b","","","0.71073","MoKα","","0.0299","0.0269","","0.0672","0.0658","","","","1.446","1.463","1.463","","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017644","12.266","0.006","22.489","0.002","10.538","0.005","90","","95.81","0.01","90","","2892","2","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C28 H20 F22 -","- C28 H20 F22 -","- C112 H80 F88 -","4","2","","Mikhaylov, Dmitry; Gryaznova, Tatyana; Dudkina, Yulia; Khrizanphorov, Mikhail; Latypov, Shamil; Kataeva, Olga; Vicic, David A.; Sinyashin, Oleg G.; Budnikova, Yulia","Electrochemical nickel-induced fluoroalkylation: synthetic, structural and mechanistic study.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","165","172","10.1039/c1dt11299f","","x-ray","0.71073","MoKα","","0.1328","0.0796","","","0.1813","0.2091","","","","","","0.894","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018259","27.196","0.005","12.152","0.002","23.754","0.005","90","","99.35","0.03","90","","7746","3","223","2","223","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C226 H332 F72 Hg6 N28 O2 P12 S24 -","- C226 H327 F72 Hg6 N28 O2 P12 S24 -","- C226 H327 F72 Hg6 N28 O2 P12 S24 -","1","0.5","","Zheng, Ai-Xia; Li, Hong-Xi; Hou, Kai-Peng; Shi, Jing; Wang, Hui-Fang; Ren, Zhi-Gang; Lang, Jian-Ping","Reactions of a methylmercury zwitterionic thiolate complex [MeHg(Tab)]PF(6) with various donor ligands: relevance to methylmercury detoxification.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2699","2706","10.1039/c2dt12219g","","","0.71073","MoKα","","0.0808","0.0687","","","0.1616","0.1746","","","","","","1.047","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018774","12.0333","0.0016","16.165","0.002","19.461","0.003","90","","104.175","0.002","90","","3670.3","0.9","110","2","110","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C38 H52 Se2 Th -","- C38 H52 Se2 Th -","- C152 H208 Se8 Th4 -","4","2","","Ren, Wenshan; Song, Haibin; Zi, Guofu; Walter, Marc D.","A bipyridyl thorium metallocene: synthesis, structure and reactivity","Dalton Transactions","2012","41","19","5965","","10.1039/c2dt00051b","","","0.71073","MoKα","","0.0535","0.0428","","","0.0905","0.0954","","","","","","1.021","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7019267","14.237","0.0009","13.782","0.0007","13.679","0.001","90","","93.537","0.007","90","","2678.9","0.3","150","1","150","1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H49 B18 Co N2 O2 -","- C11 H39 B18 Co N O2 -","- C44 H156 B72 Co4 N4 O8 -","4","2","","Grüner, Bohumír; Svec, Petr; Sícha, Václav; Padělková, Zdeňka","Direct and facile synthesis of carbon substituted alkylhydroxy derivatives of cobalt bis(1,2-dicarbollide), versatile building blocks for synthetic purposes.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7498","7512","10.1039/c2dt30128h","","","0.71073","MoKα","","0.0774","0.0652","","","0.1654","0.1755","","","","","","1.038","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7020543","12.7901","0.0004","11.2349","0.0003","17.2291","0.0006","90","","130.203","0.002","90","","1890.88","0.12","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C39 H52 Fe N3 O8 -","- C39 H52 Fe N3 O8 -","- C78 H104 Fe2 N6 O16 -","2","1","","Nemec, Ivan; Machata, Marek; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk","A new family of Fe(2)Ln complexes built from mononuclear anionic Schiff base subunits.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14603","14610","10.1039/c2dt31809a","","","0.71073","MoKα","","0.0374","0.0344","","","0.0899","0.091","","","","","","1.08","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7022386","10.2378","0.0008","8.6284","0.0007","14.6102","0.0012","90","","110.126","0.001","90","","1211.8","0.17","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H26 Cl2 Cu N10 -","- C20 H26 Cl2 Cu N10 -","- C40 H52 Cl4 Cu2 N20 -","2","1","","Mosalkova, Anastasiya P.; Voitekhovich, Sergei V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Lach, Jochen; Kersting, Berthold; Gaponik, Pavel N.; Ivashkevich, Oleg A.","2-tert-Butyl-5-(2-pyridyl)-2H-tetrazole as a chelating ligand in the direct synthesis of novel Cu(II) and heterobimetallic Cu(II)/Mn(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2985","2997","10.1039/c2dt32512h","","","0.71073","MoKα","","0.0328","0.0314","","","0.0848","0.086","","","","","","1.035","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7023261","10.9218","0.0006","9.3485","0.0005","9.763","0.0005","90","","110.049","0.003","90","","936.42","0.09","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H21 N6 O3 P -","- C16 H21 N6 O3 P -","- C32 H42 N12 O6 P2 -","2","1","","Gupta, Arvind K.; Nagarkar, Sanjog S.; Boomishankar, Ramamoorthy","Zn(II) coordination polymer of an in situ generated 4-pyridyl (4Py) attached bis(amido)phosphate ligand, [PO2(NH4Py)2]- showing preferential water uptake over aliphatic alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10964","10970","10.1039/c3dt51123e","","","0.71073","MoKα","","0.0505","0.0476","","","0.1361","0.1389","","","","","","1.07","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023276","16.13","0.003","10.592","0.002","15.477","0.003","90","","102.88","0.03","90","","2577.7","0.9","200","2","200","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C26 H48 Br9 F6 N O16 S2 Zn5 -","- C26 H48 Br9 F6 N O16 S2 Zn5 -","- C52 H96 Br18 F12 N2 O32 S4 Zn10 -","2","1","","Hausmann, David; Feldmann, Claus","The chain-like polynuclear coordination compounds (ZnBr2)n(18-crown-6)2 (n = 4, 6, 8, 10) and [Zn5Br9][N(Tf2)].","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13487","13494","10.1039/c3dt51130h","","","0.71073","MoKα","","0.0455","0.0413","","","0.1007","0.1029","","","","","","1.011","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023923","22.559","0.002","9.9836","0.001","20.465","0.002","90","","103.164","0.002","90","","4488","0.7","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C91 H72 N16 O19.25 S3 Zn4 -","- C91 H72 N16 O19.25 S3 Zn4 -","- C182 H144 N32 O38.5 S6 Zn8 -","2","1","","Zhou, Li; Wang, Chenggang; Zheng, Xiaofang; Tian, Zhengfang; Wen, Lili; Qu, Hua; Li, Dongfeng","New metal-organic frameworks based on 2,5-thiophenedicarboxylate and pyridine- or imidazole-based spacers: syntheses, topological structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16375","16386","10.1039/c3dt51905h","","","0.71073","MoKα","","0.0653","0.0455","","","0.1114","0.1227","","","","","","1.007","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7024162","14.596","0.0006","17.7566","0.0008","17.6882","0.0008","90","","113.912","0.001","90","","4190.9","0.3","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H32 Co F27 K O10 -","- C28 H32 Co F27 K O10 -","- C112 H128 Co4 F108 K4 O40 -","4","2","","Cantalupo, Stefanie A.; Lum, June S.; Buzzeo, Marisa C.; Moore, Curtis; DiPasquale, Antonio G.; Rheingold, Arnold L.; Doerrer, Linda H.","Three-coordinate late transition metal fluorinated alkoxide complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","374","383","10.1039/b911758j","","","0.71073","MoKα","","0.0502","0.0458","","","0.1223","0.1268","","","","","","0.98","","","","has coordinates","179946","2020-10-21","18:00:00",""
"7024808","12.1002","0.0017","8.7661","0.0012","15.896","0.002","90","","111.918","0.003","90","","1564.2","0.4","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C29 H32 Cl2 F6 O Ti -","- C29 H32 Cl2 F6 O Ti -","- C58 H64 Cl4 F12 O2 Ti2 -","2","1","","Wu, Qiaolin; Su, Qing; Ye, Ling; Li, Guanghua; Mu, Ying","Propylene polymerization to high molecular weight atactic polypropylene and copolymerization with 1-hexene using monocyclopentadienyl titanium catalysts.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2525","2535","10.1039/b921617k","","","0.71073","MoKα","","0.0758","0.0439","","","0.1044","0.1233","","","","","","1.011","","","","has coordinates,has disorder","179953","2020-10-21","18:00:00",""
"7024842","10.3766","0.0019","21.576","0.004","9.2436","0.0017","90","","115.806","0.002","90","","1863.1","0.6","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C28 H34 F6 Mn N8 O6 S2 -","- C28 H34 F6 Mn N8 O6 S2 -","- C56 H68 F12 Mn2 N16 O12 S4 -","2","1","","Hao, Erhong; Wang, Zhaoyun; Jiao, Lijuan; Wang, Shaowu","""Click"" tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2660","2666","10.1039/b922043g","","","0.71073","MoKα","","0.0655","0.0627","","","0.1931","0.1966","","","","","","1.073","","","","has coordinates,has disorder","179953","2020-10-21","18:00:00",""
"7025474","10.666","0.0005","9.8862","0.0004","16.6408","0.0006","90","","129.863","0.002","90","","1346.88","0.1","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C26 H19 B F15 O P -","- C26 H19 B F15 O P -","- C52 H38 B2 F30 O2 P2 -","2","1","","Neu, Rebecca C.; Ouyang, Eva Y.; Geier, Stephen J.; Zhao, Xiaoxi; Ramos, Alberto; Stephan, Douglas W.","Probing substituent effects on the activation of H(2) by phosphorus and boron frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4285","4294","10.1039/c001133a","","","0.71073","MoKα","","0.0453","0.0325","","","0.0519","0.0537","","","","","","0.791","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7028833","8.5024","0.0001","7.2987","0.0001","21.7032","0.0005","90","","98.8707","0.0011","90","","1330.71","0.04","113","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","[[Mn(dpaqNO2)(NO)]ClO4","","","- C25 H22 Cl Mn N8 O8 -","- C25 H22 Cl Mn N8 O8 -","- C50 H44 Cl2 Mn2 N16 O16 -","2","1","","Hitomi, Yutaka; Iwamoto, Yuji; Kodera, Masahito","Electronic tuning of nitric oxide release from manganese nitrosyl complexes by visible light irradiation: enhancement of nitric oxide release efficiency by the nitro-substituted quinoline ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2161","2167","10.1039/c3dt51719e","","","1.54187","CuKα","","0.0599","0.0522","","","0.1136","0.123","","","","","","1.031","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7030406","9.0893","0.0018","8.5626","0.0017","11.564","0.002","90","","111.525","0.003","90","","837.2","0.3","297","2","297","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C12 H19 Bi N2 O4 S -","- C12 H19 Bi N2 O4 S -","- C24 H38 Bi2 N4 O8 S2 -","2","1","","Breunig, Hans J.; Nema, Mihai G.; Silvestru, Cristian; Soran, Albert P.; Varga, Richard A.","Organobismuth compounds with the pincer ligand 2,6-(Me2NCH2)2C6H3: monoorganobismuth(III) carbonate, sulfate, nitrate, and a diorganobismuthenium(III) salt.","Dalton transactions (Cambridge, England : 2003)","2010","39","46","11277","11284","10.1039/c0dt00927j","","","0.71073","MoKα","","0.0461","0.0452","","","0.11","0.1106","","","","","","1.1","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030760","7.46","0.005","13.458","0.009","8.891","0.006","90","","92.448","0.009","90","","891.8","1","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- Br2 Cs2 H2 Hg2 I4 O -","- Br2 Cs2 H2 Hg2 I4 O -","- Br4 Cs4 H4 Hg4 I8 O2 -","2","1","","Wu, Qi; Huang, Yin; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","Exploration of new second-order nonlinear optical materials of the Cs-Hg-Br-I system.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8899","8904","10.1039/c3dt53463d","","","0.71073","MoKα","","0.0715","0.0501","","","0.0978","0.1082","","","","","","1","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030865","12.9468","0.0017","18.388","0.002","25.369","0.003","90","","97.239","0.002","90","","5991.4","1.2","295","2","295","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C91 H73.4 Cl14.6 Fe2 N14 O24.4 Pr4 Sb12 -","- C91 H71 Cl14.6 Fe2 N14 O24.4 Pr4 Sb12 -","- C182 H142 Cl29.2 Fe4 N28 O48.8 Pr8 Sb24 -","2","1","","Zou, Guo-Dong; Wang, Ze-Ping; Song, Ying; Hu, Bing; Huang, Xiao-Ying","Syntheses, structures and photocatalytic properties of five new praseodymium-antimony oxochlorides: from discrete clusters to 3D inorganic-organic hybrid racemic compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10064","10073","10.1039/c4dt00771a","","","0.71073","MoKα","","0.039","0.0351","","","0.057","0.0583","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031382","17.275","0.004","10.216","0.002","19.675","0.004","90","","113.21","0.03","90","","3191.2","1.4","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C54 H112 N6 O6 Sr2 -","- C54 H112 N6 O6 Sr2 -","- C108 H224 N12 O12 Sr4 -","2","1","","George, Sheby Mary; Kim, Hyo-Suk; Lah, Myoung Soo; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","Synthesis of new heteroleptic strontium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14461","14469","10.1039/c4dt00689e","","","0.71073","MoKα","","0.0573","0.0383","","","0.0809","0.0919","","","","","","1.024","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031471","6.2969","0.0003","9.7179","0.0004","15.1617","0.0007","90","","93.496","0.002","90","","926.06","0.07","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C10 H9 Fe I -","- C10 H9 Fe I -","- C40 H36 Fe4 I4 -","4","2","","Roemer, Max; Nijhuis, Christian A.","Syntheses and purification of the versatile synthons iodoferrocene and 1,1'-diiodoferrocene.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11815","11818","10.1039/c4dt01787k","","","0.71073","MoKα","","0.0141","0.0136","","","0.0285","0.0287","","","","","","1.066","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031619","11.02","0.002","9.72","0.0019","21.6","0.004","90","","96","0.03","90","","2301","0.8","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C48 H48 Co2 N8 O10 -","- C48 H48 Co2 N8 O10 -","- C96 H96 Co4 N16 O20 -","2","1","","Han, Min-Le; Duan, Ya-Ping; Li, Dong-Sheng; Wang, Hai-Bin; Zhao, Jun; Wang, Yao-Yu","Positional isomeric tunable two Co(ii) 6-connected 3-D frameworks with pentanuclear to binuclear units: structures, ion-exchange and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15450","15456","10.1039/c4dt01086h","","","0.71073","MoKα","","0.0442","0.0375","","","0.0691","0.073","","","","","","1.078","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7033150","16.938","0.003","6.959","0.0011","23","0.003","90","","131.788","0.008","90","","2021.4","0.6","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H29 B18 Fe O -","- C8 H29 B18 Fe O -","- C32 H116 B72 Fe4 O4 -","4","2","","Lobanova, Irina; Kosenko, Irina; Laskova, Julia; Ananyev, Ivan; Druzina, Anna; Godovikov, Ivan; Bregadze, Vladimir I.; Qi, Shicheng; Leśnikowski, Zbigniew J; Semioshkin, Andrey","Synthesis and the structure of 8-tetrahydrofuronium and 8-tetrahydropyronium derivatives of iron bis(dicarbollide)(-I) and their cleavage reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1571","1584","10.1039/c4dt03015j","","","0.71073","MoKα","","0.0796","0.0598","","","0.141","0.1535","","","","","","1.016","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033469","11.8032","0.0011","19.3256","0.0019","9.6446","0.0008","90","","108.311","0.003","90","","2088.6","0.3","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C24 H22 Fe N O P S -","- C24 H22 Fe N O P S -","- C96 H88 Fe4 N4 O4 P4 S4 -","4","2","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0776","0.0487","","","0.0969","0.1089","","","","","","0.994","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033674","11.891","0.0009","17.705","0.0012","15.8581","0.0013","90","","102.911","0.006","90","","3254.2","0.4","150","1","150","1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C34 H47 Mg N2 O4 P -","- C32 H43 Mg N2 O3.5 P -","- C128 H172 Mg4 N8 O14 P4 -","4","2","","Vrána, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; De Proft, Frank; Lyčka, Antonín; Dostál, Libor","Reactivity of bis(organoamino)phosphanes with magnesium(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4533","4545","10.1039/c4dt03929g","","","0.71073","MoKα","","0.1066","0.0697","","","0.1492","0.177","","","","","","1.131","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033698","10.6884","0.0001","10.9013","0.0001","18.731","0.0001","90","","91.4444","0.0006","90","","2181.79","0.03","150","","150","","","","","","","","Research School of Chemistry","8","P 1 c 1","P -2yc","7","","","","- C47 H43 B N2 O5 P2 Ru S2 -","- C47 H43 B N2 O5 P2 Ru S2 -","- C94 H86 B2 N4 O10 P4 Ru2 S4 -","2","1","","Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.","Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5713","5726","10.1039/c4dt03695f","","","1.54184","CuKα","","0.0262","0.0258","","0.0695","0.0685","0.0695","","","","","","0.9481","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034147","10.806","0.004","9.836","0.004","14.282","0.005","90","","99.674","0.006","90","","1496.4","1","113","2","113","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C26 H19 Cl2 Fe2 N Ni O6 S4 -","- C26 H19 Cl2 Fe2 N Ni O6 S4 -","- C52 H38 Cl4 Fe4 N2 Ni2 O12 S8 -","2","1","","Song, Li-Cheng; Cao, Meng; Wang, Yong-Xiang","Novel reactions of homodinuclear Ni2 complexes [Ni(RNPyS4)]2 with Fe3(CO)12 to give heterotrinuclear NiFe2 and mononuclear Fe complexes relevant to [NiFe]- and [Fe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6797","6808","10.1039/c5dt00067j","","","0.71073","MoKα","","0.0256","0.0227","","","0.0448","0.0451","","","","","","0.993","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034163","26.6111","0.0004","20.186","0.0002","23.5404","0.0003","90","","102.911","0.002","90","","12325.5","0.3","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C196 H230 Br8 Cu16 N18 P24 -","- C196 H230 Br8 Cu16 N18 P24 -","- C392 H460 Br16 Cu32 N36 P48 -","2","1","","Heindl, Claudia; Kuntz, Andrea; Peresypkina, Eugenia V.; Virovets, Alexander V.; Zabel, Manfred; Lüdeker, David; Brunklaus, Gunther; Scheer, Manfred","Unexpected fragmentations of triphosphaferrocene - formation of supramolecular assemblies containing the (1,2,4-P3C2Mes2)(-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6502","6509","10.1039/c5dt00303b","","","1.54178","CuKα","","0.064","0.0589","","","0.1554","0.1584","","","","","","1.021","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7035255","12.7337","0.0003","11.5202","0.0003","9.2042","0.0002","90","","100.339","0.0011","90","","1328.28","0.06","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","2","","Ghosh, Abhijit; Das, Debasis","X-ray structurally characterized sensors for ratiometric detection of Zn(2+) and Al(3+) in human breast cancer cells (MCF7): development of a binary logic gate as a molecular switch.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11797","11804","10.1039/c5dt01303h","","","0.71073","MoKα","","0.0467","0.0381","","","0.0916","0.1024","","","","","","1.042","","","","has coordinates","143508","2020-10-21","18:00:00",""
"7035538","15.924","0.0019","8.163","0.0008","12.4914","0.0013","90","","102.981","0.012","90","","1582.2","0.3","150","1","150","1","","","","","","","","5","P 1 c 1","P -2yc","7","","mer-trifluoridotris(pyridine)manganese(III)","","- C15 H15 F3 Mn N3 -","- C15 H15 F3 Mn N3 -","- C60 H60 F12 Mn4 N12 -","4","2","","Kohl, J.; Wiedemann, D.; Troyanov, S. I.; Palamidis, E.; Lerch, M.","Ternary transition-metal fluoride precursors for the fluorolytic sol-gel route: new insights into speciation and decomposition.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13272","13281","10.1039/c5dt01748c","","x-ray","0.71073","MoKα","","0.0787","0.0596","","","0.1612","0.1737","","","","","","1.011","","","","has coordinates","153201","2020-10-21","18:00:00",""
"7035849","10.505","0.003","15.496","0.005","10.99","0.003","90","","110.602","0.006","90","","1674.6","0.9","90","2","90","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C39 H46 Fe P2 -","- C39 H46 Fe P2 -","- C78 H92 Fe2 P4 -","2","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.1156","0.0776","","","0.1694","0.1855","","","","","","1.131","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036248","12.753","0.003","22.349","0.005","17.45","0.004","90","","95.618","0.004","90","","4950","2","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C44 H36 B F24 Li O4 S2 -","- C44 H36 B F24 Li O4 S2 -","- C176 H144 B4 F96 Li4 O16 S8 -","4","2","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.1027","0.0686","","","0.1651","0.1882","","","","","","1.022","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036249","12.682","0.003","22.573","0.005","17.452","0.004","90","","97.46","0.003","90","","4954","2","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C44 H36 B F24 Na O4 S2 -","- C44 H36 B F24 Na O4 S2 -","- C176 H144 B4 F96 Na4 O16 S8 -","4","2","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.0508","0.0424","","","0.0962","0.1016","","","","","","1.015","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036627","8.1899","0.0016","13.885","0.003","20.188","0.004","90","","97","0.03","90","","2278.6","0.8","100","2","100","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C37 H41 Ag F6 N3 O13 Re S4 -","- C37 H41 Ag F6 N3 O13 Re S4 -","- C74 H82 Ag2 F12 N6 O26 Re2 S8 -","2","1","","Casula, Arianna; Nairi, Valentina; Fernández-Moreira, Vanesa; Laguna, Antonio; Lippolis, Vito; Garau, Alessandra; Gimeno, M Concepción","Re(i) derivatives functionalised with thioether crowns containing the 1,10-phenanthroline subunit as a new class of chemosensors.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18506","18517","10.1039/c5dt02723c","","","0.71073","MoKα","","0.0699","0.0547","","","0.096","0.1018","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036713","8.8438","0.0007","12.7821","0.0009","12.2085","0.0008","90","","100.063","0.007","90","","1358.85","0.17","77","2","77","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H10 Cd3 N6 O14 -","- C15 H10 Cd3 N6 O14 -","- C30 H20 Cd6 N12 O28 -","2","1","","Liu, Guang-Ning; Zhang, Ming-Jian; Liu, Wan-Qing; Sun, Hui; Li, Xin-Yu; Li, Ke; Ren, Cai-Ze; Zhang, Zhen-Wei; Li, Cuncheng","Structures and multiple properties of two polar metal-organic frameworks based on achiral N,O-coordinated ligands: toward multifunctional materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18882","18892","10.1039/c5dt02374b","","","0.71073","MoKα","","0.0382","0.0357","","","0.0926","0.0959","","","","","","1.002","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7037229","17.567","0.003","10.0243","0.0016","15.749","0.003","90","","102.334","0.009","90","","2709.3","0.8","100","2","100","2","","","","","","","","8","P 1 c 1","P -2yc","7","dh_160","Complex 2","","- C18 H28 Br2 Cl Co N8 O6 Zn -","- C18 H28 Br2 Cl Co N8 O6 Zn -","- C72 H112 Br8 Cl4 Co4 N32 O24 Zn4 -","4","2","","Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.","A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10068","10075","10.1039/c5dt03650j","","","0.71073","MoKα","","0.0468","0.0337","","","0.0621","0.0666","","","","","","1.013","","","","has coordinates,has disorder","185385","2020-10-21","18:00:00",""
"7037929","8.7273","0.0009","9.6573","0.001","9.3479","0.0009","90","","106.287","0.004","90","","756.24","0.13","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H14 N P S2 -","- C16 H14 N P S2 -","- C32 H28 N2 P2 S4 -","2","1","","Begum, I.; Schnakenburg, G.; Streubel, R.","Synthesis and reactions of C-phosphanylated thiazol-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2955","2962","10.1039/c5dt03662c","","","0.71073","MoKα","","0.02","0.0192","","","0.0489","0.0493","","","","","","1.048","","","","has coordinates","177781","2020-10-21","18:00:00",""
"7038057","13.8427","0.0003","11.6716","0.0002","24.6885","0.0006","90","","103.905","0.002","90","","3871.94","0.15","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C74 H100 N6 Nd2 O4 Si4 -","- C74 H100 N6 Nd2 O4 Si4 -","- C148 H200 N12 Nd4 O8 Si8 -","2","1","","Zhao, Bei; Xiao, Yang; Yuan, Dan; Lu, Chengrong; Yao, Yingming","Synthesis and characterization of bridged bis(amidato) rare earth metal amides and their applications in C-N bond formation reactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3880","3887","10.1039/c5dt04217h","","","0.71073","MoKα","","0.0502","0.0389","","","0.1016","0.1085","","","","","","1.071","","","","has coordinates","177852","2020-10-21","18:00:00",""
"7039868","13.5111","0.0003","28.9345","0.0006","32.514","0.0007","90","","100.544","0.001","90","","12496.3","0.5","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C32 H72 Cl2 Lu2 N4 O2 -","- C32 H72 Cl2 Lu2 N4 O2 -","- C384 H864 Cl24 Lu24 N48 O24 -","12","6","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0462","0.0385","","","0.0749","0.0777","","","","","","1.101","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039871","13.4201","0.0006","29.065","0.0014","32.264","0.0015","90","","100.72","0.002","90","","12365.1","1","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C32 H72 Cl2 N4 O2 Y2 -","- C32 H72 Cl2 N4 O2 Y2 -","- C384 H864 Cl24 N48 O24 Y24 -","12","6","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0698","0.0425","","","0.0825","0.0899","","","","","","1.055","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7040359","12.9612","0.0009","17.4811","0.0012","16.5758","0.0011","90","","105.455","0.001","90","","3619.9","0.4","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C78 H104 Cu2 N2 S4 -","- C78 H104 Cu2 N2 S4 -","- C156 H208 Cu4 N4 S8 -","2","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","","0.71073","MoKα","","0.0326","0.03","","","0.0771","0.0788","","","","","","1.038","","","","has coordinates","187118","2020-10-21","18:00:00",""
"7040846","8.954","0.0003","14.1215","0.001","14.6424","0.0012","90","","120.519","0.005","90","","1594.9","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H36 N4 P2 Se2 Ti -","- C30 H36 N4 P2 Se2 Ti -","- C60 H72 N8 P4 Se4 Ti2 -","2","1","","Bhattacharjee, Jayeeta; Das, Suman; Kottalanka, Ravi K.; Panda, Tarun K.","Hydroamination of carbodiimides, isocyanates, and isothiocyanates by a bis(phosphinoselenoic amide) supported titanium(iv) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17824","17832","10.1039/c6dt03063g","","","1.54184","CuKα","","0.0369","0.0364","","","0.0974","0.0981","","","","","","1.071","","","","has coordinates","190180","2020-10-21","18:00:00",""
"7040891","10.1537","0.0006","9.6892","0.0007","19.2381","0.0013","90","","94.323","0.003","90","","1887.3","0.2","140","2","140","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C45 H38 N6 P2 -","- C45 H38 N6 P2 -","- C90 H76 N12 P4 -","2","1","","Portius, Peter; Davis, Martin","Synthesis of six-coordinate mono-, bis-, and tris(tetrazolato) complexes via [3 + 2] cycloadditions of nitriles to silicon-bound azido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17141","17152","10.1039/c6dt02867e","","","0.71073","MoKα","","0.0271","0.0257","","","0.0655","0.0665","","","","","","1.022","","","","has coordinates","188183","2020-10-21","18:00:00",""
"7042860","9.877","0.0008","6.3981","0.0003","9.8704","0.0007","90","","103.471","0.006","90","","606.59","0.07","165","2","165","2","","","","","","","","4","P 1 c 1","P -2yc","7","","methyltrichlorosilane","","- C H3 Cl3 Si -","- C H3 Cl3 Si -","- C4 H12 Cl12 Si4 -","4","2","","Wagler, Jörg; Gericke, Robert","Molecular structures of various alkyldichlorosilanes in the solid state","Dalton Trans.","2017","","","","","10.1039/C7DT00300E","","","0.71073","MoKα","","0.0503","0.0452","","","0.1237","0.1331","","","","","","1.074","","","","has coordinates","195902","2020-10-21","18:00:00",""
"7043100","12.665","0.003","10.888","0.003","20.745","0.005","90","","93.368","0.004","90","","2855.7","1.2","123","2","123","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C54 H60 F6 Mn N14 O2 P Ru -","- C54 H60 F6 Mn N14 O2 P Ru -","- C108 H120 F12 Mn2 N28 O4 P2 Ru2 -","2","1","","Zhu, Xiaoquan; Su, Shaodong; Cao, Wenhai; Wen, Yuehong; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","Redox effects of low-spin Ru(ii/iii) on slow magnetic relaxation of Ru‒Mn(iii) 1D cyanide-bridged complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01218G","","","0.71073","MoKα","","0.0357","0.034","","","0.0849","0.086","","","","","","1.03","","","","has coordinates","196957","2020-10-21","18:00:00",""
"7044581","10.3758","0.0009","10.3171","0.0008","33.283","0.003","90","","97.525","0.007","90","","3532.2","0.5","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C38 H37 Co N6 O5 S2 -","- C38 H37 Co N6 O5 S2 -","- C152 H148 Co4 N24 O20 S8 -","4","2","","Sanmartin Matalobos, Jesus; Garcia-Deibe, Ana M.; Fondo, Matilde; Zarepour-Jevinani, Morteza; Domínguez-González, M. R.; Bermejo-Barrera, Pilar","Exploration of an Easily Synthesized Fluorescent Probe for Detecting Copper in Aqueous Samples","Dalton Trans.","2017","","","","","10.1039/C7DT02872E","","","0.71073","MoKα","","0.1565","0.1245","","","0.2683","0.2951","","","","","","1.193","","","","has coordinates","202395","2020-10-21","18:00:00",""
"7046234","18.2683","0.0008","20.1451","0.0008","20.8247","0.0009","90","","101.267","0.004","90","","7516.1","0.6","123","2","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C150 H230 K4 O24 Ti2 -","- C150 H227.795 K4 O24 Ti2 -","- C300 H455.59 K8 O48 Ti4 -","2","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","An anionic η<sup>2</sup>-naphthalene complex of titanium supported by a tripodal [O<sub>3</sub>C] ligand and its reactions with dinitrogen, anthracene and THF.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6903","6907","10.1039/c8dt01161c","","x-ray","0.71073","MoKα","","0.1533","0.0742","","","0.134","0.1618","","","","","","0.984","","","","has coordinates,has disorder","229707","2020-10-21","18:00:00",""
"7047359","11.237","0.002","9.6634","0.0019","24.483","0.005","90","","94.81","0.03","90","","2649.2","0.9","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","[Sm(2,2,2-crypt)][PCO]2","","- C20 H36 N2 O8 P2 Sm -","- C20 H36 N2 O8 P2 Sm -","- C80 H144 N8 O32 P8 Sm4 -","4","2","","Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.","Synthesis and reactivity of rare-earth metal phosphaethynolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13016","13024","10.1039/c8dt03427c","","","1.54184","CuKα","","0.0415","0.0409","","","0.1028","0.1039","","","","","","1.025","","","","has coordinates","229301","2020-10-21","18:00:00",""
"7047795","10.9579","0.0004","11.0245","0.0004","22.8045","0.0008","90","","103.522","0.0012","90","","2678.54","0.17","150","2","150","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C43.2 H30.8 F6 Fe N11.6 O7 S6 -","- C43.2 H30.8 F6 Fe N11.6 O7.001 S6 -","- C86.4 H61.6 F12 Fe2 N23.2 O14.002 S12 -","2","1","","Pringouri, Konstantina; Anwar, Muhammad U.; Mansour, Liz; Doupnik, Nathan; Beldjoudi, Yassine; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.","A novel bis-1,2,4-benzothiadiazine pincer ligand: synthesis, characterization and first row transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15725","15736","10.1039/c8dt03346c","","","0.71073","MoKα","","0.0465","0.0433","","","0.118","0.12","","","","","","1.086","","","","has coordinates","229280","2020-10-21","18:00:00",""
"7048073","8.8038","0.0003","7.6345","0.0003","15.3532","0.0006","90","","96.243","0.001","90","","1025.81","0.07","295","2","295","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C15 H15 Cl4 Fe N4 O -","- C15 H15 Cl4 Fe N4 O -","- C30 H30 Cl8 Fe2 N8 O2 -","2","1","","Bag, Riya; Sikdar, Yeasin; Sahu, Sutapa; Maiti, Dilip K.; Frontera, Antonio; Bauzá, Antonio; Drew, Michael G. B.; Goswami, Sanchita","A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17077","17085","10.1039/c8dt02449a","","","0.71073","MoKα","","0.0362","0.0317","","","0.0789","0.0831","","","","","","0.971","","","","has coordinates","229690","2020-10-21","18:00:00",""
"7048375","17.9776","0.0008","10.6403","0.0004","21.1006","0.0009","90","","102.053","0.005","90","","3947.3","0.3","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C86 H70 Ag2 B2 F8 N4 P4 -","- C86 H70 Ag2 B2 F8 N4 P4 -","- C172 H140 Ag4 B4 F16 N8 P8 -","2","1","","Xiang, Jing; Cheng, Shun-Cheung; Jin, Xin-Xin; Su, Qian-Qian; Zhou, Xin; Chu, Wing-Kin; Leung, Chi-Fai; Ko, Chi-Chiu","Polynuclear Cu(i) and Ag(i) phosphine complexes containing multi-dentate polytopic ligands: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","741","750","10.1039/c8dt03377c","","","1.54184","CuKα","","0.1284","0.0699","","","0.1365","0.1801","","","","","","1.007","","","","has coordinates,has disorder","224123","2020-10-21","18:00:00",""
"7048938","9.8461","0.0001","8.5788","0.0001","18.1409","0.0002","90","","99.3","0.001","90","","1512.18","0.03","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H47 Cl N2 Pt -","- C33 H47 Cl N2 Pt -","- C66 H94 Cl2 N4 Pt2 -","2","1","","Campillo, David; Belío, Úrsula; Martín, Antonio","New Pt→M (M = Ag or Tl) complexes based on anionic cyclometalated Pt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3270","3283","10.1039/c9dt00121b","","","0.71073","MoKα","","0.0261","0.0221","","","0.0465","0.0489","","","","","","1.001","","","","has coordinates","223815","2020-10-21","18:00:00",""
"7049427","8.097","0.003","21.414","0.009","14.114","0.006","90","","105.123","0.005","90","","2362.5","1.7","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H21 Co2 N6 O9.5 -","- C20 H19 Co2 N6 O9.5 -","- C80 H76 Co8 N24 O38 -","4","2","","Zhu, Jiaxing; Chen, Junye; Qiu, Tianze; Deng, Mingli; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Zhou, Yaming","Cobalt substitution in a flexible metal-organic framework: modulating a soft paddle-wheel unit for tunable gate-opening adsorption.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7100","7104","10.1039/c9dt00115h","","","0.71073","MoKα","","0.1611","0.1145","","","0.2784","0.3095","","","","","","1.132","","","","has coordinates","224448","2020-10-21","18:00:00",""
"7049428","8.1101","0.0013","21.35","0.003","14.109","0.002","90","","105.008","0.002","90","","2359.7","0.6","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C20 H21 Co N6 O9.5 Zn -","- C20 H19 Co N6 O9.5 Zn -","- C80 H76 Co4 N24 O38 Zn4 -","4","2","","Zhu, Jiaxing; Chen, Junye; Qiu, Tianze; Deng, Mingli; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Zhou, Yaming","Cobalt substitution in a flexible metal-organic framework: modulating a soft paddle-wheel unit for tunable gate-opening adsorption.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7100","7104","10.1039/c9dt00115h","","","0.71073","MoKα","","0.0496","0.0439","","","0.1225","0.1305","","","","","","1.072","","","","has coordinates","224448","2020-10-21","18:00:00",""
"7049518","7.3476","0.0006","15.2022","0.0011","10.9707","0.0009","90","","91.96","0.003","90","","1224.71","0.17","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","2","","Bartalucci, Niccolò; Marchetti, Fabio; Zacchini, Stefano; Pampaloni, Guido","Decarbonylation of phenylacetic acids by high valent transition metal halides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5725","5734","10.1039/c9dt00551j","","","0.71073","MoKα","","0.0593","0.0489","","","0.0962","0.0995","","","","","","1.07","","","","has coordinates","224095","2020-10-21","18:00:00",""
"7049725","8.7482","0.0018","7.4018","0.0015","14.741","0.003","90","","90.113","0.004","90","","954.5","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- Cd2 H4 I6 O2 Rb2 -","- Cd2 H4 I6 O2 Rb2 -","- Cd4 H8 I12 O4 Rb4 -","2","1","","Wu, Qi; Liu, Xian; Xu, Siran; Pi, Hongbing; Han, Xue; Liu, Yang; Li, Yanjun","Synthesis, crystal structures and nonlinear optical properties of β-RbCdI<sub>3</sub>·H<sub>2</sub>O and CsCdI<sub>3</sub>·H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6787","6793","10.1039/c9dt01408j","","","0.71073","MoKα","","0.0946","0.0806","","","0.1857","0.1975","","","","","","0.969","","","","has coordinates","224229","2020-10-21","18:00:00",""
"7049726","8.9666","0.0007","7.5492","0.0006","14.9311","0.0012","90","","90.428","0.001","90","","1010.67","0.14","298","2","298.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- Cd2 Cs2 H4 I6 O2 -","- Cd2 Cs2 H4 I6 O2 -","- Cd4 Cs4 H8 I12 O4 -","2","1","","Wu, Qi; Liu, Xian; Xu, Siran; Pi, Hongbing; Han, Xue; Liu, Yang; Li, Yanjun","Synthesis, crystal structures and nonlinear optical properties of β-RbCdI<sub>3</sub>·H<sub>2</sub>O and CsCdI<sub>3</sub>·H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6787","6793","10.1039/c9dt01408j","","","0.71073","MoKα","","0.0244","0.0234","","","0.0663","0.0669","","","","","","1.145","","","","has coordinates","224229","2020-10-21","18:00:00",""
"7049753","17.7091","0.0004","11.3716","0.0002","31.5245","0.0007","90","","93.761","0.002","90","","6334.8","0.2","150.15","","150.15","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C69.5 H53 Ag Cl3 N3 O7 P4 -","- C69.5 H53 Ag Cl3 N3 O7 P4 -","- C278 H212 Ag4 Cl12 N12 O28 P16 -","4","2","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","1.54186","CuKα","","0.0533","0.0483","","","0.122","0.1273","","","","","","1.03","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049830","7.0635","0.0008","8.3027","0.0009","17.0426","0.0018","90","","98.909","0.0019","90","","987.42","0.19","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C12 H20 Br4 N4 O2 Pt -","- C12 H20 Br4 N4 O2 Pt -","- C24 H40 Br8 N8 O4 Pt2 -","2","1","","Afrin, Unjila; Iguchi, Hiroaki; Mian, Mohammad Rasel; Takaishi, Shinya; Yamakawa, Hiromichi; Terashige, Tsubasa; Miyamoto, Tatsuya; Okamoto, Hiroshi; Yamashita, Masahiro","MX-type single chain complexes with an aromatic in-plane ligand: incorporation of aromatic interactions for stabilizing the chain structure.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7828","7834","10.1039/c9dt00784a","","","0.71073","MoKα","","0.0532","0.035","","","0.0565","0.0608","","","","","","0.9","","","","has coordinates","223832","2020-10-21","18:00:00",""
"7049905","11.0371","0.0006","13.422","0.0007","15.1336","0.0008","90","","90.014","0.002","90","","2241.9","0.2","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H44 Bi2 Br12 N6 O -","- C24 H44 Bi2 Br12 N6 O -","- C48 H88 Bi4 Br24 N12 O2 -","2","1","","Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.","Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7602","7611","10.1039/c9dt01019j","","","0.71073","MoKα","","0.0646","0.0472","","","0.1023","0.1113","","","","","","0.993","","","","has coordinates,has disorder","223828","2020-10-21","18:00:00",""
"7050061","8.777","0.005","21.279","0.005","9.934","0.005","90","0.005","97.797","0.005","90","0.005","1838.2","1.5","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C48 H36 N2 O2 -","- C48 H36 N2 O2 -","- C96 H72 N4 O4 -","2","1","","Yan, Yun-Xing; Tao, Xu-Tang; Sun, Yuan-Hong; Wang, Chuan-Kui; Xu, Gui-Bao; Yu, Wen-Tao; Zhao, Hua-Ping; Yang, Jia-Xiang; Yu, Xiao-Qiang; Wu, Yong-Zhong; Zhao, Xian; Jiang, Min-Hua","Structures and nonlinear optical properties of new symmetrical two-photon photopolymerization initiators","New Journal of Chemistry","2005","29","3","479","","10.1039/b415354e","","","0.71069","MoKα","","0.166","0.0648","","","0.1199","0.1573","","","","","","0.939","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050645","8.7477","0.0009","16.5928","0.0017","8.3841","0.0009","90","","96.281","0.002","90","","1209.6","0.2","446","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H19 B N9 Tl -","- C24 H19 B N9 Tl -","- C48 H38 B2 N18 Tl2 -","2","1","","Davies, Graham M.; Jeffery, John C.; Ward, Michael D.","Chiral coordination polymers based on thallium(i) complexes of new bis- and tris(pyrazolyl)borate ligands with externally-directed 4-pyridyl groups","New Journal of Chemistry","2003","27","11","1550","","10.1039/b306659b","","","0.71073","MoKα","","0.0503","0.0337","","","0.0622","0.0838","","","","","","0.764","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050702","5.817","0.004","7.528","0.005","11.274","0.008","90","","93.26","0.01","90","","492.9","0.6","163","2","163","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C13 H11 N -","- C13 H11 N -","- C26 H22 N2 -","2","1","","Cariati, Elena; Galli, Simona; Macchi, Piero; Roberto, Dominique; Sironi, A.; Srdanov, Vojislav I.; Ugo, Renato","","New Journal of Chemistry","2002","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051720","12.045","0.002","26.99","0.005","11.652","0.002","90","","103.01","0.03","90","","3690.8","1.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C35 H23.5 Cl2 N14.5 O8 Zn -","- C35 H23.5 Cl2 N14.5 O8 Zn -","- C140 H94 Cl8 N58 O32 Zn4 -","4","2","","Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; Ramírez de Arellano, Carmen; Leroux, Frédéric R.; Colobert, Françoise; García-España, Enrique","[1,2,3]Triazolo[1,5-a]pyridine derivatives as molecular chemosensors for zinc(ii), nitrite and cyanide anions","New Journal of Chemistry","2009","33","10","2102","","10.1039/b906992e","","","0.71073","MoKα","","0.1237","0.0529","","","0.1055","0.1229","","","","","","0.933","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052146","10.9044","0.0014","9.9475","0.0013","12.1429","0.0015","90","","114.267","0.002","90","","1200.8","0.3","90","2","90","2","","","","","","","","4","P 1 c 1","P -2yc","7","1,7-dioxa-4,10-diazoniacyclododecane bis(4-aminobenzoate) dihydrate","1,7-dioxa-4,10-diazoniacyclododecane bis(4-aminobenzoate) dihydrate","","- C22 H36 N4 O8 -","- C22 H36 N4 O8 -","- C44 H72 N8 O16 -","2","1","","Moulton, Brian; Luisi, Brian S.; Fonari, Marina S.; Basok, Stepan S.; Ganin, Eduard V.; Kravtsov, Victor Ch.","Supramolecular associates of para-aminobenzoic acid with N- and N,O-heterocyclic molecules","New Journal of Chemistry","2007","31","4","561","","10.1039/b618207k","","","","MoKα","","0.0381","0.0349","","","0.08","0.0825","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052480","9.0349","0.0011","10.2869","0.0014","20.698","0.003","90","","91.706","0.005","90","","1922.8","0.4","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C14 H12 Cu F6 N4 O4 S2 -","- C14 Cu F6 N4 O4 S2 -","- C56 Cu4 F24 N16 O16 S8 -","4","2","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.1521","0.1409","","","0.3597","0.368","","","","","","1.197","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7053323","17.139","0.001","11.117","0.001","20.154","0.001","90","","107.078","0.004","90","","3670.7","0.4","100","2","100","2","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- C74 F8 -","- C74 F8 -","- C296 F32 -","4","2","","Gruzinskaya, Natalia I.; Silin, Andrey I.; Pimenova, Anna S.; Khavrel, Pavel A.; Markov, Vitaliy Yu.; Sidorov, Lev N.; Kemnitz, Erhard; Troyanov, Sergey I.","Synthesis and structure of cycloperfluoroalkylated derivatives of C70, C70(C2F4) and C70(C4F8)n, n = 1‒6","New Journal of Chemistry","2010","34","2","243","","10.1039/b9nj00444k","","","0.905","synchrotron","","0.2121","0.1341","","","0.2956","0.3224","","","","","","1.032","","","","has coordinates","180087","2020-10-21","18:00:00",""
"7053722","4.2896","0.0005","5.4645","0.0006","17.528","0.002","90","","91.449","0.002","90","","410.73","0.08","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C6 H5 Cl N6 -","- C6 H5 Cl N6 -","- C12 H10 Cl2 N12 -","2","1","","Casarin, Maurizio; Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","An experimental and theoretical investigation of the molecular and electronic structure of 2-amino-4-chloro-6-pyrazolyl-[1,3,5]triazine, forming supramolecular linear tapes in the solid state","New Journal of Chemistry","2008","32","2","358","","10.1039/b711136c","","","0.71073","MoKα","","0.027","0.0261","","","0.0696","0.07","","","","","","1.094","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7054172","14.566","0.002","25.954","0.003","25.644","0.003","90","","99.295","0.002","90","","9567","2","153","2","153","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C76 H115 O44 P2 S4 Yb -","- C76 H59 O44.01 P2 S4 Yb -","- C304 H236 O176.04 P8 S16 Yb4 -","4","2","","Makha, Mohamed; Alias, Yatimah; Raston, Colin L.; Sobolev, Alexandre N.","Controlling the interplay of large organic ions: para-sulfonato-calix[4]arene and phosphonium cations","New Journal of Chemistry","2007","31","5","662","","10.1039/b615639h","","","0.71073","MoKα","","0.1869","0.1476","","","0.3611","0.3923","","","","","","1.113","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7057431","10.0748","0.0019","11.326","0.002","15.049","0.003","90","","96.909","0.002","90","","1704.7","0.6","110.15","","110.15","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C34 H28 Cl N4 P Pd S -","- C34 H28 Cl N4 P Pd S -","- C68 H56 Cl2 N8 P2 Pd2 S2 -","2","1","","Haribabu, Jebiti; Tamizh, Manoharan Muthu; Balachandran, Chandrasekar; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Endo, Akira; Karvembu, Ramasamy","Synthesis, structures and mechanistic pathways of anticancer activity of palladium(ii) complexes with indole-3-carbaldehyde thiosemicarbazones","New Journal of Chemistry","2018","42","13","10818","","10.1039/C7NJ03743K","","","0.71073","MoKα","","0.0155","0.0151","","","0.0396","0.0398","","","","","","1.043","","","","has coordinates","230385","2020-10-21","18:00:00",""
"7057672","14.8036","0.0003","10.3215","0.0002","28.7105","0.0006","90","","91.843","0.002","90","","4384.56","0.15","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C96 H100 B2 N12 Na2 O8 -","- C96 H100 B2 N12 Na2 O8 -","- C192 H200 B4 N24 Na4 O16 -","2","1","","Roy, Ankana; Das, Partha Jyoti; Diskin-Posner, Yael; Firer, Michael; Grynszpan, Flavio; Montag, Michael","Quenching of syn-bimane fluorescence by Na+ complexation","New Journal of Chemistry","2018","42","19","15541","","10.1039/C8NJ01945B","","","1.54184","CuKα","","0.074","0.0559","","","0.1354","0.1461","","","","","","1.025","","","","has coordinates,has disorder","230321","2020-10-21","18:00:00",""
"7057686","11.5919","0.0002","29.7642","0.0005","12.0184","0.0002","90","","105.714","0.002","90","","3991.65","0.12","130","2","130","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C37.7 H43.4 Cl5.4 N2 O V -","- C37.7 H43.4 Cl5.4 N2 O V -","- C150.8 H173.6 Cl21.6 N8 O4 V4 -","4","2","","Fomenko, Iakov S.; Gushchin, Artem L.; Shul’pina, Lidia S.; Ikonnikov, Nikolay S.; Abramov, Pavel A.; Romashev, Nikolay F.; Poryvaev, Artem S.; Sheveleva, Alena M.; Bogomyakov, Artem S.; Shmelev, Nikita Y.; Fedin, Matvey V.; Shul’pin, Georgiy B.; Sokolov, Maxim N.","New oxidovanadium(iv) complex with a BIAN ligand: synthesis, structure, redox properties and catalytic activity","New Journal of Chemistry","2018","42","19","16200","","10.1039/C8NJ03358G","","x-ray","0.71073","MoKα","","0.0889","0.0715","","","0.2104","0.2307","","","","","","1.052","","","","has coordinates","230334","2020-10-21","18:00:00",""
"7058805","14.6528","0.0005","9.1347","0.0003","17.8598","0.0006","90","","108.073","0.004","90","","2272.57","0.14","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H24 O4 P2 S3 -","- C19 H24 O4 P2 S3 -","- C76 H96 O16 P8 S12 -","4","2","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.0659","0.0519","","","0.1213","0.133","","","","","","1.051","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058956","9.9046","0.0005","8.2466","0.0004","14.0533","0.0006","90","","105.416","0.001","90","","1106.56","0.09","299","2","299","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C8 H9 Br I N O2 -","- C8 H9 Br I N O2 -","- C32 H36 Br4 I4 N4 O8 -","4","2","","Pandeeti, Obaiah; Kumar, Sathish B.; Panda, Pradeepta","One-pot Synthesis of Benzotripyrrole Derivatives from 1H-pyrroles","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04700J","","","0.71073","MoKα","","0.0432","0.0424","","","0.136","0.1371","","","","","","1.185","","","","has coordinates","220530","2020-10-21","18:00:00",""
"7060175","12.8475","0.0015","13.2526","0.0018","29.65","0.004","90","","102.492","0.005","90","","4928.8","1.1","170","2","170","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C216 H228 N12 O48 -","12","6","","Li, Shasha; Zeng, Gongruixue; Xing, Xiaoqi; Yang, Zhiheng; Ma, Feiyun; Li, Boxia; Cheng, Weiyan; Zhang, Jiankang; He, Ruoyu","Synthesis of C3-alkenylated 2,3,4-trisubstituted pyrrole derivatives through cyclization of methylene isocyanides and ene‒yne‒ketones","New Journal of Chemistry","2021","45","4","1834","1837","10.1039/D0NJ05253A","","","0.71073","MoKα","","0.099","0.0663","","","0.1595","0.187","","","","","","1.035","","","","has coordinates,has disorder","261736","2021-02-04","23:27:04",""
"7060347","16.625","0.003","7.2251","0.0014","10.625","0.002","90","","92.13","0.03","90","","1275.4","0.4","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C60 H60 N4 O20 -","4","2","","Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.","Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives","New Journal of Chemistry","2021","45","7","3400","3407","10.1039/D0NJ04528D","","","0.9699","synchrotron","","0.1283","0.1082","","","0.2459","0.2632","","","","","","1.026","","","","has coordinates","262696","2021-03-05","02:21:06",""
"7060475","7.1272","0.0002","12.8757","0.0004","7.3763","0.0003","90","","104.703","0.004","90","","654.74","0.04","120","0.1","120","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H12 F N O2 -","- C16 H12 F N O2 -","- C32 H24 F2 N2 O4 -","2","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0351","0.0334","","","0.0933","0.0962","","","","","","1.063","","","","has coordinates,has disorder","264937","2021-05-05","08:59:31",""
"7060689","9.177","0.004","12.753","0.005","11.653","0.004","90","","123.03","0.02","90","","1143.4","0.8","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C29 H18 F N3 O2 -","- C29 H18 F N3 O2 -","- C58 H36 F2 N6 O4 -","2","1","","Yadav, Rahul; Parvin, Tasneem","Multicomponent synthesis of styryl linked benzo[h]pyrazolo[3,4-b]quinoline-5,6(10H)-diones by liquid assisted grinding","New Journal of Chemistry","2021","45","23","10388","10395","10.1039/D1NJ00770J","","","0.71073","MoKα","","0.2444","0.0817","","","0.1479","0.2121","","","","","","1.026","","","","has coordinates","267225","2021-07-05","18:06:39",""
"7061024","16.6291","0.0018","7.1628","0.0008","10.9025","0.0011","90","","92.168","0.004","90","","1297.7","0.2","293.15","","293.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","2","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Massanet, Bárbara; Frontera, Antonio; Barceló-Oliver, Miquel","Modified-amino acid/peptide pyrimidine analogs: synthesis, structural characterization and DFT studies of N-(pyrimidyl)gabapentine and N-(pyrimidyl)baclofen","New Journal of Chemistry","2021","45","47","22053","22061","10.1039/D1NJ04639J","","","1.54178","CuKα","","0.0635","0.0629","","","0.1496","0.1505","","","","","","1.109","","","","has coordinates","271861","2022-01-06","21:47:20",""
"7061456","13.8873","0.0011","10.6708","0.0008","31.655","0.002","90","","96.56","0.001","90","","4660.2","0.6","150","2","150","","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C100 H89 Br Cl5 Cu2 N5 O10 P4 -","- C99 H81 Br Cl5 Cu2 N5 O7 P4 -","- C198 H162 Br2 Cl10 Cu4 N10 O14 P8 -","2","1","","Wu, Zhan; Cui, Shu; Zhao, Zhenqin; He, Bingling; Li, Xiu-Ling","Photophysical properties of homobimetallic Cu(i)–Cu(i) and heterobimetallic Cu(i)–Ag(i) complexes of 2-(6-bromo-2-pyridyl)-1H-imidazo[4,5-f][1,10]phenanthroline","New Journal of Chemistry","2022","46","18","8881","8891","10.1039/D2NJ00774F","","","0.71073","MoKα","","0.0304","0.0275","","","0.0693","0.0703","","","","","","1.053","","","","has coordinates","275806","2022-06-06","01:56:35",""
"7062157","19.0744","0.0006","10.2424","0.0003","25.3779","0.0009","90","","93.17","0.002","90","","4950.4","0.3","100","2","100","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C59 H46 Cu F3 N2 O3 P2 S -","- C59 H46 Cu F3 N2 O3 P2 S -","- C236 H184 Cu4 F12 N8 O12 P8 S4 -","4","2","","Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons","New Journal of Chemistry","2023","47","5","2307","2323","10.1039/D2NJ05222A","","","0.71073","MoKα","","0.0561","0.042","","","0.0811","0.0845","","","","","","1.104","","","","has coordinates","281514","2023-03-04","18:31:43",""
"7062497","11.82","0.003","6.132","0.0014","22.01","0.005","90","","104.353","0.004","90","","1545.5","0.6","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C35 H34 Cl2 I N5 -","- C35 H34 Cl2 I N5 -","- C70 H68 Cl4 I2 N10 -","2","1","","Dahiwadkar, Rahul; Dubey, Gurudutt; Shaik, Althaf; Jana, Palash; Thiruvenkatam, Vijay; Kanvah, Sriram","Halogen-bonded co-crystals with AIE-active α-cyanostilbenes","New Journal of Chemistry","2023","47","24","11685","11696","10.1039/D3NJ00333G","","","0.71073","MoKα","","0.0936","0.0932","","","0.2167","0.2175","","","","","","1.731","","","","has coordinates","284930","2023-07-05","10:29:46",""
"7062985","7.3929","0.0006","7.3942","0.0004","26.1786","0.0013","90","","98.372","0.007","90","","1415.79","0.16","293","","293","","","","","","","","","2","P 1 c 1","P -2yc","7","RUB-11","RUB-11","","- O30 Si15 -","- O30 Si15 -","- O60 Si30 -","2","1","","Grosskreuz, Isabel; Krysiak, Yaşar; Gies, Hermann; Mugnaioli, Enrico; Marler, Bernd","Synthesis and real structure of RUB-11, a novel high-density silica zeolite based on magadiite layers","New Journal of Chemistry","2024","48","9","4030","4042","10.1039/D3NJ03424K","powder diffraction","","","CuKα","","","","","","","","","3.5417","3.3618","","","","","","","has coordinates","290248","2024-03-04","20:38:15",""
"7100266","17.739","0.0007","5.989","0.0002","25.116","0.001","90","","120.677","0.0016","90","","2294.88","0.15","130","2","130","2","","","","","","","","4","P 1 c 1","P -2yc","7","BDBPQ","","","- C58 H42 Cl6 N2 -","- C58 H42 Cl6 N2 -","- C116 H84 Cl12 N4 -","2","1","","Samson Jenekhe; Amit Babel; Jessica M. Hancock; Christopher J. Tonzola","Quinoidal Oligoquinoline: A Novel Quinodimethane Exhibiting High Electroluminescence Efficiency and p-Channel Field Effect Charge Transport","Chemical Communications","2005","","","","","10.1039/b509322h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100673","3.6933","0.0003","7.484","0.0005","8.5933","0.0007","90","","102.22","0.003","90","","232.14","0.03","180","2","180","2","","","","","","","","3","P 1 c 1","P -2yc","7","Maleic Acid","","","- C4 H4 O4 -","- C4 H4 O4 -","- C8 H8 O8 -","2","1","","W. Jones; Graeme Day; W.D.Sam Motherwell; Andrew V. Trask","Investigating the latent polymorphism of maleic acid","Chemical Communications","2006","","","","","10.1039/b513442k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101570","5.0398","0.0017","10.91","0.004","27.268","0.007","90","","90.36","0.02","90","","1499.3","0.8","120","2","120","2","","","","","","","N Azzi","4","P 1 c 1","P -2yc","7","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","2","","Bruno Linclau; Nadia Azzi; Ed Griffen; Mark E. Light","An enantioselective desymmetrisation approach to C9-substituted trans-hydrindene rings based on a diastereotopic group-selective intramolecular Diels-Alder reaction.","Chemical Communications","2006","","47","","","10.1039/b607488j","","","0.71073","MoKα","","0.0924","0.0654","","","0.1119","0.1197","","","","","","1.183","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7102110","11.4055","0.0002","10.4608","0.0002","14.3232","0.0003","90","","109.545","0.001","90","","1610.44","0.05","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H49 B16 Cl Rh2 -","- C20 H49 B16 Cl Rh2 -","- C40 H98 B32 Cl2 Rh4 -","2","1","","Carr, Michael J.; Perera, Sarath D.; Jelínek, Tomáš; Štíbr, Bohumil; Clegg, William; Kilner, Colin A.; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. The unique nido-five-vertex-〈B2〉-nido-ten-vertex conjuncto structure of [(η5-C5Me5)2Rh2B11H15] via an unexpected cluster-dismantling","Chemical Communications (Cambridge, United Kingdom)","2007","","34","3559","3561","10.1039/b709470a","","","0.7107","MoKα","","0.0319","0.0315","","","0.0802","0.0804","","","","","","1.121","","","","has coordinates,has disorder","210407","2020-10-21","18:00:00",""
"7102158","11.0553","0.0013","7.3121","0.0009","13.2662","0.0017","90","","94.693","0.007","90","","1068.8","0.2","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","621 4-carboxy-PhC(CN)=NOH, 1-((4-pyridyl)methyl)-5,6-Me2- benzimidazole","621 4-carboxy-PhC(CN)=NOH, 1-[(4-pyridyl)methyl]-5,6-Me2-benzimidazole","","- C24 H21 N5 O3 -","- C24 H21 N5 O3 -","- C48 H42 N10 O6 -","2","1","","Aakeröy, Christer B; Desper, John; Smith, Michelle M","Constructing, deconstructing, and reconstructing ternary supermolecules.","Chemical communications (Cambridge, England)","2007","","38","3936","3938","10.1039/b707518a","","","0.71073","MoKα","","0.0563","0.0527","","","0.1298","0.1346","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102577","10.033","0.003","12.778","0.011","17.681","0.015","90","","117.36","0.06","90","","2013","3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C41 H50 Cu N6 O7 -","- C41 H50 Cu N6 O7 -","- C82 H100 Cu2 N12 O14 -","2","1","","Czaun, Miklós; Speier, Gábor; Párkányi, László","Facile copper-mediated activation of the N-H bond and the oxidative cleavage of the C2-C3 bond in 1H-2-phenyl-3-hydroxy-4-oxoquinoline.","Chemical communications (Cambridge, England)","2004","","8","1004","1005","10.1039/b315919a","","","1.54184","CUkα","","0.0318","0.0297","","","0.077","0.0781","","","","","","1.045","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102685","12.0844","0.0006","7.6585","0.0003","23.967","0.001","90","","95.888","0.002","90","","2206.4","0.2","213.2","","","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C38 H38 B2 Cl4 F8 N2 Pd4 -","- C38 H38 B2 Cl4 F8 N2 Pd4 -","- C76 H76 B4 Cl8 F16 N4 Pd8 -","2","1","","Tatsumi, Yasuki; Naga, Tomoki; Nakashima, Hiromitsu; Murahashi, Tetsuro; Kurosawa, Hideo","Stepwise growth of polypalladium chains in 1,4-diphenyl-1,3-butadiene sandwich complexes.","Chemical communications (Cambridge, England)","2004","","12","1430","1431","10.1039/b403098b","","","0.7107","MoKα","","","0.0747","","","","0.0792","","","","","","1.191","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103738","10.3046","0.0002","20.6383","0.0003","26.607","0.0005","90","","93.783","0.001","90","","5646.17","0.17","153","2","153","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C62 H77 N9 O4 -","- C62 H77 N9 O4 -","- C248 H308 N36 O16 -","4","2","","Bucher, Christophe; Zimmerman, Rebecca S.; Lynch, Vincent; Sessler, Jonathan L.","Synthesis and X-ray structure of a three dimensional calixphyrin","Chemical Communications (Cambridge, United Kingdom)","2003","","14","1646","1647","10.1039/b302508j","","","0.71073","MoKα","","0.2","0.0824","","","0.153","0.1892","","","","","","1.042","","","","has coordinates","210794","2020-10-21","18:00:00",""
"7104867","13.7793","0.0005","19.3635","0.0006","17.3317","0.0007","90","","106.171","0.002","90","","4441.4","0.3","293.2","","","","","","","","","","","6","P 1 c 1","P -2yc","7","Cu(II)-BPBA-MeOH","","","- C16 H23 Cl2 Cu N3 O9 -","- C17 H24 Cl2 Cu N3 O9 -","- C136 H192 Cl16 Cu8 N24 O72 -","8","4","","Fujii, Tatsuya; Naito, Asako; Yamaguchi, Syuhei; Wada, Akira; Funahashi, Yasuhiro; Jitsukawa, Koichiro; Nagatomo, Shigenori; Kitagawa, Teizo; Masuda, Hideki","Construction of a square-planar hydroperoxo-copper(II) complex inducing a higher catalytic reactivity","Chemical Communications (Cambridge, United Kingdom)","2003","","21","2700","2701","10.1039/b308073k","","","0.7107","MoKα","","","0.0362","","","","0.1001","","","","","","1.551","","","","has coordinates","210675","2020-10-21","18:00:00",""
"7105556","17.264","0.002","4.7225","0.0007","11.9008","0.0017","90","","90.091","0.002","90","","970.3","0.2","296","2","296","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Akhatova, Flyura S.; Gubaidullin, Aidar T.","p-Tolyl glycerol ether: is it possible to find more simple molecular organogelator with pronounced chirality driven properties?","Chemical communications (Cambridge, England)","2010","46","20","3523","3525","10.1039/b924948f","","","0.71073","MoKα","","0.1001","0.0768","","","0.2048","0.2257","","","","","","1.017","","","","has coordinates","180159","2020-10-21","18:00:00",""
"7105954","4.899","0.001","4.917","0.001","10.35","0.002","90","","100.8","0.03","90","","244.9","0.09","295","2","295","2","","","680000","","","","","4","P 1 c 1","P -2yc","7","guanidinium nitrate","guanidinium nitrate","","- C H6 N4 O3 -","- C H6 N4 O3 -","- C2 H12 N8 O6 -","2","1","","Andrzej Katrusiak; Marek Szafranski; Marcin Podsiadlo","Pressure-induced collapse of guanidinium nitrate NâHâ ââO bonded honeycomb layers into a 3-D pattern with varied H-acceptor capacity","Chem.Commun.","2011","47","","2107","","10.1039/c0cc02630a","","","0.71073","MoKα","","0.0902","0.0669","","","0.0609","0.0667","","","","","","1.203","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105955","4.895","0.001","4.8916","0.001","10.337","0.002","90","","101.56","0.03","90","","242.49","0.09","295","2","295","2","","","790000","","","","","4","P 1 c 1","P -2yc","7","guanidinium nitrate","guanidinium nitrate","","- C H6 N4 O3 -","- C H6 N4 O3 -","- C2 H12 N8 O6 -","2","1","","Andrzej Katrusiak; Marek Szafranski; Marcin Podsiadlo","Pressure-induced collapse of guanidinium nitrate NâHâ ââO bonded honeycomb layers into a 3-D pattern with varied H-acceptor capacity","Chem.Commun.","2011","47","","2107","","10.1039/c0cc02630a","","","0.71073","MoKα","","0.0371","0.0324","","","0.0738","0.0781","","","","","","1.121","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105956","4.867","0.001","4.845","0.001","10.14","0.002","90","","102.91","0.03","90","","233.06","0.09","295","2","295","2","","","1510000","","","","","4","P 1 c 1","P -2yc","7","guanidinium nitrate","guanidinium nitrate","","- C H6 N4 O3 -","- C H6 N4 O3 -","- C2 H12 N8 O6 -","2","1","","Andrzej Katrusiak; Marek Szafranski; Marcin Podsiadlo","Pressure-induced collapse of guanidinium nitrate NâHâ ââO bonded honeycomb layers into a 3-D pattern with varied H-acceptor capacity","Chem.Commun.","2011","47","","2107","","10.1039/c0cc02630a","","","0.71073","MoKα","","0.0533","0.0449","","","0.0703","0.0729","","","","","","1.198","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7106020","9.5948","0.0019","14.02","0.003","12.332","0.003","90","","91.24","0.03","90","","1658.5","0.6","180","2","180","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H4 Cl N2 S2 -","- C7 H4 Cl N2 S2 -","- C56 H32 Cl8 N16 S16 -","8","4","","Antonio Alberola; Emma Carter; Christos P. Constantinides; Dana J. Eisler; Damien M. Murphy; Jeremy M. Rawson","Crystal structures, EPR and magnetic properties of 2-ClC6H4CNSSN and 2,5-Cl2C6H3CNSSN","Chem.Commun.","2011","47","","2532","","10.1039/c0cc04296j","","","0.71073","MoKα","","0.0576","0.0457","","","0.1099","0.1331","","","","","","1.165","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106126","19.2521","0.0011","35.962","0.002","18.2585","0.001","90","","109.193","0.002","90","","11938.5","1.2","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H17 Cl N2 O Pd -","- C14 H17 Cl N2 O Pd -","- C448 H544 Cl32 N64 O32 Pd32 -","32","16","","Beatrice Braun Irmgard Kalf Ulli Englert","One of the most complex “small molecule structures” ever reported: 16 independent molecules in the asymmetric unit for an ortho-palladated primary amine","Chem.Commun.","2011","47","","3846","","10.1039/c0cc05208f","","","0.71073","MoKα","","0.1036","0.0672","","","0.1498","0.1626","","","","","","1.04","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106372","16.985","0.004","12.209","0.003","21.415","0.005","90","","102.825","0.007","90","","4330","1.8","93","2","93","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C38 H49 Au Cl4 N2 O4 -","- C38 H49 Au Cl4 N2 O4 -","- C152 H196 Au4 Cl16 N8 O16 -","4","2","","Stephanie Dupuy; Faima Lazreg; Alexandra M. Z. Slawin; Catherine S. J. Cazin; Steven P. Nolan","Decarboxylation of aromatic carboxylic acids by gold(I)-N-heterocyclic carbene (NHC) complexes","Chem.Commun.","2011","47","","5455","","10.1039/c1cc10917k","","","0.71073","MoKα","","0.103","0.0681","","","0.1506","0.1723","","","","","","1.049","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7107088","16.18","0.003","21.569","0.004","23.123","0.004","90","","106.198","0.002","90","","7749","2","163","2","163","2","","","","","","","","6","P 1 c 1","P -2yc","7","pentakis(3,6-bis(pyrimid-2-yl)-1,2,4,5-tetrazine- N,N',N'',N''')-decakis(acetonitrile-N)- pentairon(ii)hexafluoroantimonate(V) clathrate nonakis(hexafluoroantimonate(V)) acetonitrile toluene solvate'","pentakis(3,6-bis(pyrimid-2-yl)-1,2,4,5-tetrazine-N,N',N'',N''')- decakis(acetonitrile-N)-pentairon(II)hexafluoroantimonate(V) clathrate nonakis(hexafluoroantimonate(V)) acetonitrile toluene solvate'","","- C90 H87.5 F60 Fe5 N56.5 Sb10 -","- C90 H87.5 F60 Fe5 N56.5 Sb10 -","- C180 H175 F120 Fe10 N113 Sb20 -","2","1","","Giles, Ian D.; Chifotides, Helen T.; Shatruk, Michael; Dunbar, Kim R.","Anion-templated self-assembly of highly stable Fe(II) pentagonal metallacycles with short anion‒π contacts","Chemical Communications (Cambridge, United Kingdom)","2011","47","47","12604","12606","10.1039/c1cc15868f","","x-ray","0.71073","MoKα","","0.196","0.078","","","0.1599","0.2097","","","","","","0.94","","","","has coordinates","211023","2020-10-21","18:00:00",""
"7107666","10.511","0.002","13.107","0.002","15.884","0.003","90","","98.82","0.02","90","","2162.4","0.7","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C48 H60 N2 Sn -","- C48 H60 N2 Sn -","- C96 H120 N4 Sn2 -","2","1","","Shabana Khan; Prinson P. Samuel; Reent Michel; Johannes M. Dieterich; Ricardo A. Mata; Jean-Philippe Demers; Adam Lange; Herbert W. Roesky; Dietmar Stalke","Monomeric Sn(II) and Ge(II) hydrides supported by a tridentate pincer-based ligand","Chem.Commun.","2012","48","","4890","","10.1039/c2cc31214j","","","0.71073","MoKα","","0.0437","0.0354","","","0.0701","0.074","","","","","","1.09","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7108033","7.6227","0.0003","13.8546","0.0006","13.6784","0.0005","90","","95.281","0.003","90","","1438.44","0.1","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C5 H5 Al B Br6 N -","- C5 H5 Al B Br6 N -","- C20 H20 Al4 B4 Br24 N4 -","4","2","","Alessandro Del Grosso; Ewan Clark; Nicholas Montoute; Michael Ingleson","Tricationic analogues of boroxines and polyborate anions","Chem.Commun.","2012","48","","7589","","10.1039/c2cc32605a","","","0.71073","MoKα","","0.0603","0.0474","","","0.1289","0.1405","","","","","","1.087","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108875","20.1795","0.0009","11.1226","0.0005","18.0696","0.0008","90","","103.233","0.002","90","","3948","0.3","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C37 H52 B Cr N3 O5 Si2 -","- C37 H52 B Cr N3 O5 Si2 -","- C148 H208 B4 Cr4 N12 O20 Si8 -","4","2","","Holger Braunschweig; Thomas Herbst; Krzysztof Radacki; Christopher W. Tate; Alfredo Vargas","Cyclic (amino)(imino)carbene complexes by borylene transfer to isocyanides","Chemical communications (Cambridge, England)","2013","49","17","1702","1704","10.1039/c3cc38379b","","","0.71073","MoKα","","0.0642","0.045","","","0.1039","0.1131","","","","","","1.014","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7110374","17.8929","0.0003","14.3181","0.0002","19.4361","0.0003","90","","116.8","0.001","90","","4444.52","0.13","298","2","298","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C86 H86 B4 F16 N4 O8 Pd2 S4 -","- C86 H86 B4 F16 N4 O8 Pd2 S4 -","- C172 H172 B8 F32 N8 O16 Pd4 S8 -","2","1","","Loeb, Stephen J.; Wisner, James A.","1,2-Bis(4,4′-dipyridinium)ethane: a versatile dication for the formation of [2]rotaxanes with dibenzo-24-crown-8 ether","Chemical Communications","1998","","24","2757","","10.1039/a807449f","","","0.71073","MoKα","","0.0977","0.0569","","0.1431","0.1198","","","","0.974","1.074","1.074","","","","","has coordinates,has disorder","180217","2020-10-21","18:00:00",""
"7110582","11.198","0.005","6.867","0.001","12.192","0.018","90","","90.26","0.07","90","","937.5","1.5","298","","295","","","","","","","","?","3","P 1 c 1","P -2yc","7","","","","- C23 H24 O3 -","- C23 H24 O3 -","- C46 H48 O6 -","2","1","","Rudler, Henri; Parlier, Andrée; Martin-Vaca, Blanca; Garrier, Eva; Vaissermann, Jacqueline","Reaction of N-methyldihydropyridines with alkoxycarbene complexes of chromium and tungsten: sequential use of three carbonyl ligands of Cr(CO)6 for the formation of polyoxygenated compounds","Chemical Communications","1999","","15","1439","","10.1039/a903474i","","","0.71069","MoKα","","","0.0511","","","0.0643","","","","","1.0758","1.0758","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7111169","6.926","0.0014","9.242","0.002","18.158","0.004","90","","90.04","0.03","90","","1162.3","0.4","110","2","110","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H10 N6 O2 -","- C12 H10 N6 O2 -","- C48 H40 N24 O8 -","4","2","","Galán-Mascarós, José R.; Dunbar, Kim R.","A microporous framework from a magnetic molecular square: [Co(HAT)Cl2]4 (HAT = 1,4,5,8,9,11-hexaazatriphenylene)","Chemical Communications","2001","","2","217","","10.1039/b008209k","","","0.71069","MoKα","","0.1294","0.0522","","","0.0958","0.1203","","","","","","0.786","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111358","10.241","0.0002","7.034","0.0001","14.9794","0.0002","90","","111.497","0.001","90","","1003.98","0.03","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H38 Cu F2 N4 O5 -","- C14 H38 Cu F2 N4 O5 -","- C28 H76 Cu2 F4 N8 O10 -","2","1","","Fielden, John; Long, De-Liang; Cronin, Leroy","Secondary coordination sphere controlled reversible geometry reorganisations in copper(ii) complexes","Chemical Communications","2004","","19","2156","2157","10.1039/b407229d","","","0.71073","MoKα","","0.0224","0.021","","","0.0516","0.0525","","","","","","1.048","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111361","7.2305","0.0012","5.8513","0.001","7.7552","0.0013","90","","107.364","0.003","90","","313.15","0.09","203","2","203","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-aminothiphenol","","- C6 H7 N S -","- C6 H7 N S -","- C12 H14 N2 S2 -","2","1","","Jetti, Ram K. R.; Boese, Roland; Thakur, Tejender S.; Vangala, Venu R.; Desiraju, Gautam R.","Proton transfer and N(+)?H?S(?) hydrogen bonds in the crystal structure of 4-aminothiophenol","Chemical Communications","2004","","22","2526","2527","10.1039/b407319c","","","0.71073","MoKα","","0.0283","0.0277","","","0.0757","0.0767","","","","","","1.072","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111806","3.7357","0.0005","15.625","0.002","10.926","0.0014","90","","93.614","0.007","90","","636.49","0.14","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H12 F2 N2 O4 -","- C13 H12 F2 N2 O4 -","- C26 H24 F4 N4 O8 -","2","1","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71073","MoKα","","0.0334","0.0307","","","0.074","0.0752","","","","","","1.083","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7112011","9.408","0.003","15.948","0.005","14.884","0.003","90","","106.145","0.005","90","","2145.1","1.1","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C48 H56 Ca O5 Si2 -","- C48 H56 Ca O5 Si2 -","- C96 H112 Ca2 O10 Si4 -","2","1","","Valeri Leich; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Hydrosilylation catalysis by an earth alkaline metal silyl: synthesis, characterization, and reactivity of bis(triphenylsilyl)calcium","Chem.Commun.","2014","50","","2311","","10.1039/c3cc49308c","","","0.71073","MoKα","","0.1678","0.0765","","","0.1706","0.2242","","","","","","0.959","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112577","11.115","0.003","5.008","0.003","14.112","0.005","90","","92.28","0.01","90","","784.9","0.6","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H9 Cl F3 N3 O2 -","- C16 H9 Cl F3 N3 O2 -","- C32 H18 Cl2 F6 N6 O4 -","2","1","","Masciocchi, Daniela; Villa, Stefania; Meneghetti, Fiorella; Pedretti, Alessandro; Barlocco, Daniela; Legnani, Laura; Toma, Lucio; Kwon, Byoung-Mog; Nakano, Shintaro; Asai, Akira; Gelain, Arianna","Biological and computational evaluation of an oxadiazole derivative (MD77) as a new lead for direct STAT3 inhibitors","MedChemComm","2012","3","5","592","","10.1039/c2md20018j","","","0.71073","MoKα","","0.2155","0.0439","","","","0.0571","","","","","","0.846","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112746","6.4499","0.0011","13.834","0.002","7.0464","0.0012","90","","90.24","0.003","90","","628.73","0.18","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","Markus Feurer; Georg Frey; Hieu-Trinh Luu; Daniel Kratzert; Jan Streuff","The cross-selective titanium(III)-catalysed acyloin reaction","Chem.Commun.","2014","50","","5370","","10.1039/C3CC46894A","","","0.71073","MoKα","","0.0318","0.0308","","","0.081","0.0817","","","","","","1.058","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7113529","7.83","0.002","11.92","0.003","20.356","0.003","90","","101.77","0.02","90","","1860","0.7","223.2","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C38 H36 N2 O14 S2 -","- C38 H32 N2 O14 S2 -","- C76 H64 N4 O28 S4 -","2","1","","Kidowaki, Masatoshi; Tamaoki, Nobuyuki","Unique crystal structures of donor‒acceptor complexes: crossed arrangement of two charge-transfer columns","Chemical Communications","2003","","2","290","","10.1039/b207809k","","","0.7107","MoKα","","0.1336","0.0537","","","0.1298","0.2019","","","","","","0.848","","","","has coordinates","209423","2020-10-21","18:00:00",""
"7114132","8.858","0.0018","5.993","0.0012","19.061","0.004","90","","92.5","0.03","90","","1010.9","0.4","120","2","120","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C8 H24 F6 O4 P Rh S4 -","- C8 H24 F6 O4 P Rh S4 -","- C16 H48 F12 O8 P2 Rh2 S8 -","2","1","","Dorta, Reto; Rozenberg, Haim; Milstein, David","The first fully characterized neutral and cationic rhodium(i)-complexes containing DMSO as the only dative ligand; S-, O- and bridging S,O-bidentate binding modes","Chemical Communications","2002","","7","710","","10.1039/b200321j","","","0.71073","MoKα","","0.028","0.0262","","","0.064","0.065","","","","","","1.03","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114356","15.315","0.004","10.023","0.004","9.917","0.002","90","","108.593","0.018","90","","1442.8","0.8","160","2","160","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C2 H12 B10 Sn -","- C2 H12 B10 Sn -","- C12 H72 B60 Sn6 -","6","3","","Wilson, Neil M. M.; Ellis, David; Boyd, Alan S. F.; Giles, Barry T.; Macgregor, Stuart A.; Rosair, Georgina M.; Welch, Alan J.","The first supraicosahedral p-block metallacarboranes","Chemical Communications","2002","","5","464","","10.1039/b110490j","","","0.71073","MoKα","","0.0676","0.0665","","","0.1741","0.1751","","","","","","1.082","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114382","7.085","0.002","16.205","0.01","10.55","0.01","90","0.06","96.62","0.03","90","0.04","1203.2","1.4","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C16 H26 N2 Ni O5 P2 S4 -","- C16 H26 N2 Ni O5 P2 S4 -","- C32 H52 N4 Ni2 O10 P4 S8 -","2","1","","Albano, Vincenzo G.; Aragoni, M. Carla; Arca, Massimiliano; Castellari, Carlo; Demartin, Francesco; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Loddo, Laura; Verani, Gaetano","An unprecedented example of a cis-phosphonodithioato nickel(ii) complex built by an extensive hydrogen bonding supramolecular network","Chemical Communications","2002","","11","1170","","10.1039/b200414c","","","0.71069","MoKα","","0.0338","0.0276","","","0.071","0.074","","","","","","1.043","","","","has coordinates","209504","2020-10-21","18:00:00",""
"7114794","13.576","0.0015","19.695","0.002","16.643","0.0016","90","","95.095","0.004","90","","4432.4","0.8","123","2","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C84 H108 Ce I3 N24 -","- C87 H93 Ce I3 N21 -","- C174 H186 Ce2 I6 N42 -","2","1","","Iveson, Peter B.; Rivière, Christelle; Nierlich, Martine; Thuéry, Pierre; Ephritikhine, Michel; Guillaneux, Denis; Madic, Charles","Selective complexation of uranium(iii) over cerium(iii) by 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl)pyridines: 1H NMR and X-ray crystallography studies","Chemical Communications","2001","","16","1512","","10.1039/b103606h","","","0.71073","MoKα","","0.2421","0.0927","","","0.1576","0.2196","","","","","","0.975","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7114985","6.757","0.0001","11.7756","0.0003","20.3694","0.0005","90","","93.629","0.001","90","","1617.5","0.06","300","2","300","2","","","","","","","","6","P 1 c 1","P -2yc","7","complex2","","","- C30 H28 Au F3 O2 P2 -","- C29.4 H28 Au F2.1 O1.4 P2 -","- C58.8 H56 Au2 F4.2 O2.8 P4 -","2","1","","Brandys, Marie-Claude; Puddephatt, Richard J.","Polymers and rings in gold(i) diphosphine complexes: linking gold rings through aurophilic interactions","Chemical Communications","2001","","14","1280","","10.1039/b103020p","","","0.71073","MoKα","","0.0935","0.0752","","","0.2057","0.2165","","","","","","0.997","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7115423","16.831","0.004","8.317","0.0019","11.555","0.003","90","","100.853","0.004","90","","1588.6","0.7","100","2","100","2","","","","","","","synthesis as described","3","P 1 c 1","P -2yc","7","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","2","","Simanis, Justin A.; Law, C. Marshall; Woodall, Erica L.; Hamaker, Christopher G.; Goodell, John R.; Mitchell, T. Andrew","Investigation of oxidopyrylium-alkene [5+2] cycloaddition conjugate addition cascade (C^3^) sequences","Chemical Communications (Cambridge, United Kingdom)","2014","50","65","9130","9133","10.1039/c4cc04163a","","x-ray","0.71073","MoKα","","0.0339","0.028","","","0.0656","0.068","","","","","","1.033","","","","has coordinates","210848","2020-10-21","18:00:00",""
"7115732","12.7071","0.0002","4.847","","14.6978","0.001","90","","98.347","0.007","90","","895.67","0.06","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H24 N O4 -","- C18 H24 N O4 -","- C36 H48 N2 O8 -","2","1","","Pingping Duan; Xia Lan; Ying Chen; Shao-Song Qian; Jie Jack Li; Liang Lu; Yanbo Lu; Bo Chen,; Mei Hong; Jing Zhao","Rhodium(III)-catalyzed C-H activation/[4+3] annulation of N-phenoxyacetamides and alpha,beta-unsaturated aldehydes: an efficient route to 1,2-oxazepines at room temperature","Chem.Commun.","2014","50","","12135","","10.1039/C4cc05485G","","","1.54187","CuKα","","0.0509","0.047","","","0.1179","0.1291","","","","","","1.071","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115738","19.2148","0.0014","13.3436","0.0008","10.6713","0.0005","90","","95.038","0.006","90","","2725.5","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H24 N32 O0 Zn4 -","- C16 H24 N32 Zn4 -","- C32 H48 N64 Zn8 -","2","1","","Shunshun Xiong; Youjin Gong; Hongxia Wang; Hailong Wang; Qiang Liu; Mei Gu; Xiaolin Wang; Banglin Chen; Zhiyong Wang","A new tetrazolate zeolite-like framework for highly selective CO2/CH4 and CO2/N2 separation","Chem.Commun.","2014","50","","12101","","10.1039/C4cc05729E","","","0.71073","MoKα","","0.078","0.0486","","","0.127","0.1374","","","","","","1.007","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115874","11.697","0.002","14.397","0.003","26.731","0.007","90","","104.09","0.03","90","","4366.1","1.7","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C25 H19 N3 O4 -","- C25 H19 N3 O4 -","- C200 H152 N24 O32 -","8","4","","Mei Yang; Tianyi Wang; Shixuan Cao; Zhengjie He","Phosphine-catalyzed [4+1] annulation of 1,3-(aza)dienes with maleimides: highly efficient construction of azaspiro[4.4]nonenes","Chem.Commun.","2014","50","","13506","","10.1039/C4cc05624H","","","0.71073","MoKα","","0.0842","0.0579","","","0.1229","0.1372","","","","","","0.994","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7116080","11.718","0.0002","25.4446","0.0004","26.3628","0.0003","90","","105.674","0.001","90","","7568","0.2","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C48 H58 F12 N2 O10 P2 S6 -","- C48 H58 F12 N2 O10 P2 S6 -","- C192 H232 F48 N8 O40 P8 S24 -","4","2","","Qi Wang; Ming Cheng; Yue Zhao; Zhen Yang; Juli Jiang; Leyong Wang; Yi Pan","Redox-switchable host-guest systems based on a bisthiotetrathiafulvalene-bridged cryptand","Chem.Commun.","2014","50","","15585","","10.1039/C4cc07770A","","","1.54178","CuKα","","0.1064","0.068","","","0.1512","0.1611","","","","","","1.03","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7117426","8.624","0.004","15.417","0.007","7.309","0.003","90","","104.681","0.007","90","","940.1","0.7","93","","93","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H22 O Si -","- C24 H22 O Si -","- C48 H44 O2 Si2 -","2","1","","Ryo Shintani; Hiroki Kurata; Kyoko Nozaki","Rhodium-catalyzed intramolecular alkynylsilylation of alkynes","Chem.Commun.","2015","51","","11378","","10.1039/C5cc04172D","","","0.71075","MoKα","","0.043","0.0413","","","0.1064","0.1089","","","","","","1.053","","","","has coordinates","140007","2020-10-21","18:00:00",""
"7118341","5.6982","0.0003","18.9135","0.001","13.0889","0.0007","90","","95.097","0.005","90","","1405.05","0.13","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H22 O -","- C16 H22 O -","- C64 H88 O4 -","4","2","","Pan, Jin-Long; Chen, Tao; Zhang, Zhi-Qiang; Li, Yi-Fan; Zhang, Xiao-Ming; Zhang, Fu-Min","A Cu-mediated one-pot Michael addition/α-arylation strategy using a diaryliodonium salt: a direct and efficient approach to α-aryl-β-substituted cyclic ketone scaffolds.","Chemical communications (Cambridge, England)","2016","52","11","2382","2385","10.1039/c5cc09837h","","","1.54184","CuKα","","0.0608","0.0529","","","0.1454","0.1596","","","","","","1.038","","","","has coordinates","276353","2022-06-28","16:43:03",""
"7118372","11.3068","0.0019","9.6829","0.0016","24.116","0.004","90","","103.091","0.002","90","","2571.7","0.7","90","","90","","","","","","","","","4","P 1 c 1","P -2yc","7","","Ethyl 2-((3S*,4S*)-6-bromo-2-oxo-3-((R*)-3-oxocyclopentyl)chroman-4-yl)acetate","","- C18 H19 Br O5 -","- C18 H19 Br O5 -","- C108 H114 Br6 O30 -","6","3","","Yanai, Hikaru; Kobayashi, Osamu; Takada, Kenji; Isono, Takuya; Satoh, Toshifumi; Matsumoto, Takashi","Sequential Mukaiyama-Michael reaction induced by carbon acids.","Chemical communications (Cambridge, England)","2016","52","16","3280","3283","10.1039/c5cc10115h","","","0.71073","MoKα","","0.036","0.029","","","0.0568","0.0589","","","","","","0.963","","","","has coordinates","177674","2020-10-21","18:00:00",""
"7118456","5.673","0.0007","15.311","0.002","15.16","0.0019","90","","103.5","0.012","90","","1280.4","0.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H12 F N3 -","- C15 H12 F N3 -","- C60 H48 F4 N12 -","4","2","","Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Porphyrin-based mixed-valent Ag(I)/Ag(II) and Cu(I)/Cu(II) networks as efficient heterogeneous catalysts for the azide-alkyne ""click"" reaction and promising oxidation of ethylbenzene","Chemical Communications (Cambridge, United Kingdom)","2016","52","7","1373","1376","10.1039/c5cc08456c","","","0.71069","MoKα","","0.1098","0.0564","","","0.1387","0.174","","","","","","1.025","","","","has coordinates,has disorder","209776","2020-10-21","18:00:00",""
"7118754","12.6037","0.0003","18.505","0.0006","14.088","0.0003","90","","97.74","0.002","90","","3255.83","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C49 H49 Cl N28 O29 -","- C49 H49 Cl N28 O28.849 -","- C98 H98 Cl2 N56 O57.698 -","2","1","","Sashuk, Volodymyr; Butkiewicz, Helena; Fiałkowski, Marcin; Danylyuk, Oksana","Triggering autocatalytic reaction by host-guest interactions.","Chemical communications (Cambridge, England)","2016","52","22","4191","4194","10.1039/c5cc10063a","","","1.54184","CuKα","","0.0904","0.085","","","0.2577","0.269","","","","","","1.236","","","","has coordinates,has disorder","181523","2020-10-21","18:00:00",""
"7119500","19.1439","0.0007","9.6535","0.0003","30.1293","0.001","90","","107.678","0.002","90","","5305.1","0.3","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","PySi","","","- C29 H37 N O4 Si -","- C29 H37 N O4 Si -","- C232 H296 N8 O32 Si8 -","8","4","","El Idrissi, Mohamed; Teat, Simon J.; Corvini, Philippe F.-X.; Paterson, Martin J.; Dalgarno, Scott J.; Shahgaldian, Patrick","Template-free hierarchical self-assembly of a pyrene derivative into supramolecular nanorods.","Chemical communications (Cambridge, England)","2017","53","12","1973","1976","10.1039/c6cc09731f","","","0.7749","Synchrotron","","0.1186","0.0975","","","0.259","0.2765","","","","","","1.034","","","","has coordinates,has disorder","193720","2020-10-21","18:00:00",""
"7119660","10.1387","0.0006","9.3035","0.0006","20.649","0.0013","90","","97.005","0.002","90","","1933.2","0.2","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","(PPMeP)Cu(Cbz)","","","- C41 H55 Cu N O P3 -","- C41 H55 Cu N O P3 -","- C82 H110 Cu2 N2 O2 P6 -","2","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.0526","0.0399","","","0.0868","0.0954","","","","","","1.156","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7120933","18.721","0.001","6.531","0.001","23.84","0.001","90","","128.652","0.016","90","","2276.4","0.6","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","BP-TPY","","- C27 H26 B N3 O2 -","- C27 H26 B N3 O2 -","- C108 H104 B4 N12 O8 -","4","2","","Sun, Qikun; Tang, Liangliang; Zhang, Zhenzhen; Zhang, Kai; Xie, Zongliang; Chi, Zhenguo; Zhang, Haichang; Yang, Wenjun","Bright NUV mechanofluorescence from a terpyridine-based pure organic crystal.","Chemical communications (Cambridge, England)","2017","54","1","94","97","10.1039/c7cc08064f","","","0.71073","MoKα","","0.0981","0.0651","","","0.1334","0.147","","","","","","0.983","","","","has coordinates","228100","2020-10-21","18:00:00",""
"7121958","13.2322","0.0008","16.2283","0.001","17.9608","0.0011","90","","111.614","0.002","90","","3585.6","0.4","140","2","140","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C72 H116 N4 O6 Yb4 -","- C72 H116 N4 O6 Yb4 -","- C144 H232 N8 O12 Yb8 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Anwander, Reiner","Synthesis of homometallic divalent lanthanide organoimides from benzyl complexes.","Chemical communications (Cambridge, England)","2018","54","64","8826","8829","10.1039/c8cc05234d","","","0.71073","MoKα","","0.0246","0.0237","","","0.0573","0.0577","","","","","","1.025","","","","has coordinates,has disorder","228229","2020-10-21","18:00:00",""
"7122630","8.063","0.017","15.52","0.03","19.7","0.04","90","","99.82","0.03","90","","2429","9","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","2","","Jin, Tao; Yuan, Hongdong; Su, Shikuan; Jia, Xueshun; Li, Chunju; Li, Jian; Fang, Jianhui","Carbon-nitrogen bond cleavage of pyridine with two molecular substituted allenoates: access to 2-arylpyrimidin-4(3H)-one.","Chemical communications (Cambridge, England)","2018","54","100","14128","14131","10.1039/c8cc08946a","","","0.71073","MoKα","","0.12","0.0729","","","0.1913","0.2245","","","","","","1.127","","","","has coordinates","228524","2020-10-21","18:00:00",""
"7123282","6.3558","0.0016","15.728","0.004","9.829","0.003","90","","101.217","0.007","90","","963.8","0.5","273","2","273","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H19 Cl Cu N4 O8 -","- C14 H19 Cl Cu N4 O8 -","- C28 H38 Cl2 Cu2 N8 O16 -","2","1","","Kuilya, Hemrupa; alam, Noohul; Sarma, Debajit; Choudhury, Diganta; Kalita, Apurba","Ligand Assisted Electrocatalytic Water Oxidation by a Copper (II) Complex in Neutral Phosphate Buffer","Chemical Communications","2019","","","","","10.1039/C9CC00971J","","x-ray","0.71073","MoKα","","0.0687","0.0496","","","0.1148","0.1236","","","","","","1.058","","","","has coordinates","214569","2020-10-21","18:00:00",""
"7123861","10.8967","0.0004","33.0836","0.0013","13.0091","0.0006","90","","105.207","0.002","90","","4525.6","0.3","193","2","193","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C35 H64 Cl Fe Ge N5 O3 Si2 Sn -","- C35 H64 Cl Fe Ge N5 O3 Si2 Sn -","- C140 H256 Cl4 Fe4 Ge4 N20 O12 Si8 Sn4 -","4","2","","Sodreau, Alexandre; Lentz, Nicolas; Frutos, Maria; Ladeira, Sonia; Nayral, Celine; Delpech, Fabien; Madec, David","Symmetric and non-symmetric bis-metallylene iron complexes, precursors of iron germanide nanoparticles","Chemical Communications","2019","","","","","10.1039/C9CC05063A","","","0.71073","MoKα","","0.0538","0.0428","","","0.1047","0.1109","","","","","","1.05","","","","has coordinates,has disorder","217084","2020-10-21","18:00:00",""
"7123975","10.6708","0.0003","20.4338","0.0006","17.7611","0.0006","90","","104.773","0.002","90","","3744.7","0.2","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C50 H38 O4 -","- C50 H38 O4 -","- C200 H152 O16 -","4","2","","Reine, Pablo; Campaña, Araceli G.; Alvarez de Cienfuegos, Luis; Blanco, Victor; Abbate, Sergio; Mota, Antonio J.; Longhi, Giovanna; Miguel, Delia; Cuerva, Juan Manuel","Chiral double stapled o-OPEs with intense circularly polarized luminescence","Chemical Communications","2019","","","","","10.1039/C9CC04885E","","","1.54178","CuKα","","0.0502","0.0462","","","0.1157","0.119","","","","","","1.038","","","","has coordinates","217494","2020-10-21","18:00:00",""
"7126609","20.1897","0.0012","13.6168","0.0008","16.2901","0.001","90","","108.38","0.003","90","","4250","0.4","170","2","170","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C70 H86 Cl4 Cu4 N12 O31 S2 -","- C70 H85 Cl4 Cu4 N12 O31 S2 -","- C140 H170 Cl8 Cu8 N24 O62 S4 -","2","1","","Khullar, Sadhika; Mandal, Sanjay K.","Modulation of hydrophilicity inside the cavity of molecular rectangles self-assembled under ambient conditions.","Chemical communications (Cambridge, England)","2020","56","57","7913","7916","10.1039/d0cc02379e","","","0.71073","MoKα","","0.0896","0.0677","","","0.1749","0.1951","","","","","","1.02","","","","has coordinates","254886","2020-10-21","18:00:00",""
"7126738","17.3592","0.0013","16.4666","0.0012","14.4482","0.0011","90","","106.046","0.003","90","","3969.1","0.5","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C47 H47 Fe N2 P3 -","- C47 H47 Fe N2 P3 -","- C188 H188 Fe4 N8 P12 -","4","2","","Hatzis, Gregory P.; Thomas, Christine M.","Metal-ligand cooperativity across two sites of a square planar iron(ii) complex ligated by a tetradentate PNNP ligand.","Chemical communications (Cambridge, England)","2020","56","61","8611","8614","10.1039/d0cc02152k","","x-ray","0.71073","MoKα","","0.0497","0.0448","","","0.1123","0.1152","","","","","","1.084","","","","has coordinates,has disorder","254929","2020-10-21","18:00:00",""
"7126977","15.5878","0.0002","20.0801","0.0003","24.7383","0.0004","90","","94.682","0.001","90","","7717.4","0.2","173","2","173","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C118 H147 Br12 Cl Hg6 N2 O20 S12 -","- C118 H147 Br12 Hg6 N2 O20 S12 -","- C236 H294 Br24 Hg12 N4 O40 S24 -","2","1","","Shin, Mingyeong; Seo, Sujin; Park, In-Hyeok; Lee, Eunji; Habata, Yoichi; Lee, Shim Sung","Metallosupramolecules of pillar[5]-bis-trithiacrown including a mercury(ii) iodide ion-triplet complex.","Chemical communications (Cambridge, England)","2020","56","70","10135","10138","10.1039/d0cc03902k","","","0.71073","MoKα","","0.0673","0.0438","","","0.0718","0.0763","","","","","","1.014","","","","has coordinates","255944","2020-10-21","18:00:00",""
"7126999","17.0775","0.0007","5.63423","0.0001","16.986","0.0004","90","","114.885","0.003","90","","1482.62","0.08","293","","293","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C32 H28 O12 Zr -","- C32 H28 O12 Zr -","- C64 H56 O24 Zr2 -","2","1","","Crosland, James M.; Corlett, Emily K.; Scapens, Dave; Guillou, Nathalie; Brown, Steven P.; Walton, Richard I.","Isolated zirconium centres captured from aqueous solution: the structure of zirconium mandelate revealed from NMR crystallography.","Chemical communications (Cambridge, England)","2020","56","70","10159","10162","10.1039/d0cc03647a","powder diffraction","","0.82445","X-raysynchrotron","","","","","","","","","0.017","16.95","","","","","","","has coordinates","255942","2020-10-21","18:00:00",""
"7127551","7.156","0.0001","7.1296","0.0001","28.7875","0.0004","90","","92.485","0.001","90","","1467.34","0.04","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C40 H30 O2 -","- C40 H30 O2 -","- C80 H60 O4 -","2","1","","Abdollahi, Maryam F.; You, Jian; Wang, Tao; Zhao, Yuming","Molecular tuning of the crystallization-induced emission enhancement of diphenyl-dibenzofulvene luminogens.","Chemical communications (Cambridge, England)","2021","57","4","484","487","10.1039/d0cc07013k","","x-ray","1.54184","CuKα","","0.055","0.0517","","","0.1359","0.1387","","","","","","1.043","","","","has coordinates","261540","2021-02-04","22:34:51",""
"7127977","9.6728","0.0006","6.3539","0.0003","11.8458","0.0006","90","","101.244","0.006","90","","714.07","0.07","295","","295","","","","","","","","","5","P 1 c 1","P -2yc","7","","5-methyl-2-phenyl-4-(phenylthio)-1,2-dihydro-3H-pyrazol-3-one","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C32 H28 N4 O2 S2 -","2","1","","Yuan, Yong; Li, Liang-Sen; Zhang, Lin; Wang, Feng; Jiang, Lin; Zuo, Lin; Wang, Qi; Hu, Jian-Guo; Lei, Aiwen","Electrochemical synthesis of versatile ammonium oxides under metal catalyst-, exogenous-oxidant-, and exogenous-electrolyte-free conditions.","Chemical communications (Cambridge, England)","2021","57","22","2768","2771","10.1039/d1cc00486g","","x-ray","0.71073","MoKα","","0.0338","0.0322","","","0.0744","0.0761","","","","","","1.066","","","","has coordinates","263623","2021-04-05","13:53:54",""
"7128927","7.78647","0.00004","13.20388","0.00005","15.31398","0.00007","90","","104.07","0.0005","90","","1527.22","0.012","94","2","94","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C31 H34 Cl2 N3 O3 P Pd -","- C31 H34 Cl2 N3 O3 P Pd -","- C62 H68 Cl4 N6 O6 P2 Pd2 -","2","1","","Rivada Wheelaghan, Orestes; Deolka, Shubham; Govindarajan, Ramadoss; Khaskin, Eugene; Fayzullin, Robert R.; Pal, Shrinwantu; Khusnutdinova, Julia R.","Construction of modular Pd/Cu multimetallic chains via ligand- and anion-controlled metal-metal interactions","Chemical Communications","2021","","","","","10.1039/D1CC04212B","","x-ray","1.54184","CuKα","","0.0323","0.032","","","0.0876","0.0878","","","","","","1.144","","","","has coordinates,has disorder","268367","2021-09-02","21:58:40",""
"7129333","10.207","0.0006","16.4841","0.001","7.1404","0.0004","90","","95.493","0.002","90","","1195.88","0.12","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C28 H22 N2 O4 S -","- C28 H22 N2 O4 S -","- C56 H44 N4 O8 S2 -","2","1","","Kesavan, Arunachalam; Anbarasan, Pazhamalai","Catalytic Enantioselective Oxysulfenylation of o-Vinylanilides","Chemical Communications","2021","","","","","10.1039/D1CC05835E","","","0.71073","MoKα","","0.0455","0.0401","","","0.0986","0.1023","","","","","","1.084","","","","has coordinates","270963","2021-12-01","23:00:18",""
"7129478","17.667","0.002","13.2247","0.0015","7.127","0.0007","90","","98.212","0.005","90","","1648.1","0.3","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H14 Cl N3 -","- C22 H14 Cl N3 -","- C88 H56 Cl4 N12 -","4","2","","Subbarayappa, Adimurthy; Semwal, Rashmi; Bhadani, Gaurav","Pd-Catalyzed annulation of imidazo[1,2-a]pyridines with coumarins and indoles: Synthesis of benzofuran and indole fused heterocycles","Chemical Communications","2022","","","","","10.1039/D1CC06803B","","","0.71073","MoKα","","0.1066","0.0548","","","0.1116","0.1328","","","","","","0.999","","","","has coordinates","271623","2021-12-24","23:11:03",""
"7129480","7.4279","0.0002","7.9778","0.0002","11.0063","0.0004","90","","97.478","0.003","90","","646.67","0.03","232","0.1","232","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H8 F4 I N -","- C12 H8 F4 I N -","- C24 H16 F8 I2 N2 -","2","1","","Mix, Andreas; Lamm, Jan-Hendrik; Schwabedissen, Jan; Gebel, Erich; Stammler, Georg; Mitzel, Norbert Werner","Monitoring dynamic pre-crystallization aggregation processes in solution by VT-DOSY NMR spectroscopy","Chemical Communications","2022","","","","","10.1039/D1CC05925D","","x-ray","0.71073","MoKα","","0.0223","0.019","","","0.0432","0.0442","","","","","","1.098","","","","has coordinates,has disorder","271624","2021-12-24","23:11:29",""
"7130552","8.7776","0.0012","7.9372","0.001","25.632","0.004","90","","90.543","0.005","90","","1785.7","0.4","220","2","220","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C12 H36 Ag Bi Br11.03 Cl0.97 N4 -","- C12 H36 Ag Bi Br11.04 Cl0.96 N4 -","- C24 H72 Ag2 Bi2 Br22.08 Cl1.92 N8 -","2","1","","Siwach, Puneet; Sikarwar, Poonam; Rajput, Shubham Ajaykumar; Antharjanam, P. K. Sudhadevi; Chandiran, Aravind Kumar","Effect of halogenated spacer cation on structural symmetry breaking in 2D halide double perovskites","Chemical Communications","2022","","","","","10.1039/D2CC02747J","","","0.71073","MoKα","","0.0885","0.0787","","","0.2067","0.2195","","","","","","1.09","","","","has coordinates,has disorder","277288","2022-08-17","22:00:46",""
"7130553","8.8204","0.0005","7.9482","0.0006","25.6987","0.0017","90","","91.046","0.002","90","","1801.3","0.2","220","2","220","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C12 H36 Ag Bi Br12 N4 -","- C12 H36 Ag Bi Br12 N4 -","- C24 H72 Ag2 Bi2 Br24 N8 -","2","1","","Siwach, Puneet; Sikarwar, Poonam; Rajput, Shubham Ajaykumar; Antharjanam, P. K. Sudhadevi; Chandiran, Aravind Kumar","Effect of halogenated spacer cation on structural symmetry breaking in 2D halide double perovskites","Chemical Communications","2022","","","","","10.1039/D2CC02747J","","","0.71073","MoKα","","0.0873","0.0736","","","0.1853","0.1966","","","","","","1.082","","","","has coordinates,has disorder","277288","2022-08-17","22:00:46",""
"7130766","9.1371","0.0008","16.8002","0.0017","8.3053","0.0008","90","","116.752","0.003","90","","1138.44","0.19","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C26 H30 Mg N4 O -","- C26 H30 Mg N4 O -","- C52 H60 Mg2 N8 O2 -","2","1","","Kumar, Rohit; Pahar, Sanjukta; Chatterjee, Joy; Dash, Soumya Ranjan; Gonnade, Rajesh G.; Vanka, Kumar; Sen, Sakya Singha","Luminescent magnesium complexes with intra- and inter-ligand charge transfer","Chemical Communications","2022","","","","","10.1039/D2CC04142A","","","0.71073","MoKα","","0.097","0.0824","","","0.1595","0.1662","","","","","","1.141","","","","has coordinates,has disorder","278132","2022-09-26","15:24:23",""
"7130887","4.7305","0.0002","11.4393","0.0004","12.2488","0.0004","90","","94.234","0.003","90","","661.02","0.04","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H11 Cl F N O2 -","- C14 H11 Cl F N O2 -","- C28 H22 Cl2 F2 N2 O4 -","2","1","","Wang, Xinzhe; Chen, Zhihuang; Liu, Qingqing; Lin, Wenqing; Xiong, Xiaodong","Amine organocatalysts for highly ortho-Selective chlorination of anilines with sulfuryl chloride","Chemical Communications","2022","","","","","10.1039/D2CC05320A","","","1.54184","CuKα","","0.0466","0.0457","","","0.1274","0.1291","","","","","","1.105","","","","has coordinates","278748","2022-10-24","22:08:08",""
"7130959","8.3476","0.0014","12.016","0.002","11.2069","0.0019","90","","96.481","0.006","90","","1116.9","0.3","193","","193","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C48 H54 N2 O10 S2 -","2","1","","Yang, Zhenkun; Xie, Hongling; Tang, Luning; Sun, Jianwei; Han, Zhengyu; Huang, Hai","Construction of Diverse Polycyclic N-Heterocycles via Cascade Allylic Amination/Diels−Alder Reaction","Chemical Communications","2022","","","","","10.1039/D2CC05208C","","","1.34139","GaKα","","0.0398","0.0375","","","0.0986","0.1006","","","","","","1.088","","","","has coordinates,has disorder","279039","2022-11-07","22:55:57",""
"7131489","9.1676","0.001","4.898","0.0006","19.342","0.002","90","","92.437","0.003","90","","867.73","0.17","170","","170","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H15 Br2 N O2 -","- C18 H15 Br2 N O2 -","- C36 H30 Br4 N2 O4 -","2","1","","Chen, Zan; Huang, Wenting; Su, Yu; Jiang, Huanfeng; Wu, Wanqing","Lewis/Brønsted acid-mediated cyclization/amidation of 1,6-enynes with nitriles: access to 3-enamide substituted dihydrobenzofurans.","Chemical communications (Cambridge, England)","2023","59","30","4523","4526","10.1039/d3cc00787a","","","0.71073","MoKα","","0.0518","0.0359","","","0.0714","0.0793","","","","","","0.978","","","","has coordinates","283088","2023-05-05","00:24:56",""
"7131510","20.6611","0.0012","19.347","0.0012","16.2836","0.0011","90","","104.971","0.002","90","","6288.1","0.7","123","2","123","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C67 H74 Ag F3 N8 O5 P2 S -","- C67 H74 Ag F3 N8 O5 P2 S -","- C268 H296 Ag4 F12 N32 O20 P8 S4 -","4","2","","Ohms, Leon; Eickhoff, Liesa; Kramer, Pascal; Villinger, Alexander; Bresien, Jonas; Schulz, Axel","Coinage metal complexes of multidentate Pacman phosphane ligands.","Chemical communications (Cambridge, England)","2023","59","35","5245","5248","10.1039/d3cc01174g","","","0.71073","MoKα","","0.0395","0.0337","","","0.0823","0.086","","","","","","1.032","","","","has coordinates,has disorder","283127","2023-05-05","00:38:09",""
"7131646","18.35075","0.00014","9.98785","0.00008","16.08593","0.00013","90","","91.0918","0.0007","90","","2947.77","0.04","160","1","160","1","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- C78 H78 -","- C78 H78 -","- C156 H156 -","2","1","","Čavlović, Daniel; Blacque, Olivier; Krummenacher, Ivo; Braunschweig, Holger; Ravat, Prince; Juríček, Michal","Dimethylnonacethrene - <i>en route</i> to a magnetic switch.","Chemical communications (Cambridge, England)","2023","59","50","7743","7746","10.1039/d3cc01301d","","x-ray","1.54184","CuKα","","0.0908","0.0865","","","0.215","0.2284","","","","","","1.046","","","","has coordinates","284851","2023-07-05","08:56:18",""
"7131713","15.3311","0.0002","10.06926","0.00011","13.62417","0.00019","90","","101.312","0.0013","90","","2062.34","0.05","173","","173","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H26 B N O6 -","- C22 H26 B N O6 -","- C88 H104 B4 N4 O24 -","4","2","","Halford-McGuff, John M; Cordes, David B.; Watson, Allan J. B.","Synthesis of complex aryl MIDA boronates by Rh-catalyzed [2+2+2] cycloaddition.","Chemical communications (Cambridge, England)","2023","59","50","7759","7762","10.1039/d3cc00761h","","x-ray","1.54184","CuKα","","0.0475","0.043","","","0.1176","0.1224","","","","","","1.061","","","","has coordinates","284850","2023-07-05","08:54:51",""
"7132055","4.7059","0.0007","10.5914","0.0014","8.1537","0.0009","90","","93.137","0.005","90","","405.79","0.09","193","","193","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C4 H5 N7 O5 -","- C4 H5 N7 O5 -","- C8 H10 N14 O10 -","2","1","","Lei, Caijin; Xiao, Chuan; Tang, Jie; Yang, Hongwei; Zhang, Qinghua; Cheng, Guangbin","Synthesis of fused energetic compounds using the structural modification from local carbonyl to hydroxylamine/hydrazone","Chemical Communications","2023","","","","","10.1039/D3CC03330A","","","0.71073","MoKα","","0.0803","0.0518","","","0.1177","0.1382","","","","","","1.034","","","","has coordinates","285876","2023-08-25","21:58:03",""
"7132120","9.0167","0.0003","11.7335","0.0004","8.0325","0.0002","90","","104.733","0.003","90","","821.88","0.05","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H16 Cl N O3 -","- C20 H16 Cl N O3 -","- C40 H32 Cl2 N2 O6 -","2","1","","Liu, Rai-Shung; Kshirsagar, Akshay Suresh; More, Sayaji Arjun","Stereo- and Regiocontrol in Intermolecular [2+2] Cycloadditions between Diarylketenes and Allenamides to Access Substituted α-Methylenecyclobutanones.","Chemical Communications","2023","","","","","10.1039/D3CC03979J","","x-ray","1.54184","CuKα","","0.0422","0.0408","","","0.103","0.1038","","","","","","1.094","","","","has coordinates","286303","2023-09-12","21:55:15",""
"7132167","15.7591","0.0003","7.2376","0.0001","17.3492","0.0003","90","","116.14","0.002","90","","1776.42","0.06","295.5","0.11","295.5","0.11","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C42 H34 N2 O4 S2 -","- C42 H34 N2 O4 S2 -","- C84 H68 N4 O8 S4 -","2","1","","Wang, Yi-Lin; Liu, Peng-Xiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Synthesis of benzo[<i>f</i>][1,2]thiazepine 1,1-dioxides based on the visible-light-mediated aza Paternò-Büchi reaction of benzo[<i>d</i>]isothiazole 1,1-dioxides with alkenes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03745b","","x-ray","1.54184","CuKα","","0.043","0.0412","","","0.1154","0.1181","","","","","","1.066","","","","has coordinates","286626","2023-10-02","21:55:58",""
"7132172","15.2972","0.0015","7.4805","0.0005","17.3374","0.0016","90","","107.376","0.01","90","","1893.4","0.3","302.9","0.2","302.9","0.2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C44 H38 N2 O4 S2 -","- C44 H38 N2 O4 S2 -","- C88 H76 N4 O8 S4 -","2","1","","Wang, Yi-Lin; Liu, Peng-Xiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Synthesis of benzo[<i>f</i>][1,2]thiazepine 1,1-dioxides based on the visible-light-mediated aza Paternò-Büchi reaction of benzo[<i>d</i>]isothiazole 1,1-dioxides with alkenes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03745b","","x-ray","0.71073","MoKα","","0.1554","0.0949","","","0.2269","0.2786","","","","","","1","","","","has coordinates","286626","2023-10-02","21:56:00",""
"7132454","8.3585","0.0006","14.7884","0.001","25.0191","0.0017","90","","90.077","0.004","90","","3092.6","0.4","110","","110","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C70 H68 B2 F8 N2 O3 P2 -","- C70 H68 B2 F8 N2 O3 P2 -","- C140 H136 B4 F16 N4 O6 P4 -","2","1","","Litle, Elishua D.; Gabbaï, François P","Double axial stabilization of a carbenium ion <i>via</i> convergent PO → C<sup>+</sup> tetrel bonding.","Chemical communications (Cambridge, England)","2024","60","6","690","693","10.1039/d3cc04729f","","","1.54178","CuKα","","0.0681","0.0579","","","0.1402","0.1481","","","","","","1.028","","","","has coordinates","289353","2024-02-04","11:12:06",""
"7150862","8.526","0.006","12.16","0.006","8.797","0.005","90","","93.64","0.03","90","","910.2","0.9","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C19 H25 B F2 N2 O2 -","- C19 H25 B F2 N2 O2 -","- C38 H50 B2 F4 N4 O4 -","2","1","","Maeda, Hiromitsu; Terasaki, Masahiro; Haketa, Yohei; Mihashi, Yuta; Kusunose, Yukio","BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors","Organic & Biomolecular Chemistry","2008","6","3","433","436","10.1039/b718317h","","","0.71075","MoKα","","0.0482","0.0376","","","0.0781","0.0895","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151087","11.1542","0.001","8.497","0.0007","31.528","0.003","90","","95.122","0.002","90","","2976.2","0.5","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H12 F5 N O -","- C16 H12 F5 N O -","- C128 H96 F40 N8 O8 -","8","4","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.0919","0.0502","","","0.1172","0.1371","","","","","","1.023","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151114","11.407","0.002","9.859","0.002","10.146","0.002","90","","96.153","0.006","90","","1134.5","0.4","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C15 H11 Br -","- C15 H11 Br -","- C60 H44 Br4 -","4","2","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","Joining the rings: the preparation of 2- and 3-indenyl-triptycenes, and curious related processes.","Organic & biomolecular chemistry","2007","5","12","1952","1960","10.1039/b703437g","","","0.71073","MoKα","","0.089","0.0597","","","0.1477","0.1998","","","","","","1.098","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151127","6.8884","0.0002","8.7287","0.0003","10.4626","0.0003","90","","103.724","0.002","90","","611.12","0.03","150","","150","","","","","","","","C. McGowan","3","P 1 c 1","P -2yc","7","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C28 H44 O4 -","2","1","","McGowan, Craig A.; Schmieder, Ann-Kathrin; Roberts, Lee; Greaney, Michael F.","Synthesis of the guanacastepene A-B hydrazulene ring system through photochemical ring transposition.","Organic & biomolecular chemistry","2007","5","10","1522","1524","10.1039/b704865c","","","0.71073","MoKα","","0.0348","0.0335","","0.0801","0.0795","0.0801","","","","","","0.9682","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151458","4.5402","0.0001","13.4819","0.0002","9.713","0.0002","90","","96.274","0.001","90","","590.98","0.02","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C12 H16 S2 -","- C12 H16 S2 -","- C24 H32 S4 -","2","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0254","0.0238","","","0.062","0.063","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151462","4.5938","0.0002","17.1826","0.0009","9.9664","0.0005","90","","93.166","0.001","90","","785.48","0.07","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H24 S2 -","- C16 H24 S2 -","- C32 H48 S4 -","2","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0416","0.0334","","","0.0786","0.0889","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151583","8.7576","0.0004","13.7337","0.001","9.8743","0.0004","90","","106.53","0.002","90","","1138.54","0.11","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H10 Cl F5 O -","- C10 H10 Cl F5 O -","- C40 H40 Cl4 F20 O4 -","4","2","","DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm","Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry","Organic & Biomolecular Chemistry","2003","1","24","4423","","10.1039/b311261f","","","0.71073","MoKα","","0.0272","0.0254","","","0.0594","0.0604","","","","","","1.068","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151715","34.582","0.002","10.1577","0.0006","8.339","0.0005","90","","92.891","0.001","90","","2925.5","0.3","295","2","295","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C20 H32 N4 -","- C20 H32 N4 -","- C120 H192 N24 -","6","3","","Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.","Organic & biomolecular chemistry","2011","9","6","1887","1900","10.1039/C0OB00899K","","","0.71073","MoKα","","0.1034","0.0464","","","0.087","0.1043","","","","","","1.012","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151737","8.1223","0.0003","7.04","0.0005","13.0388","0.0003","90","","107.502","0.004","90","","711.06","0.06","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C17 H14 O6 -","- C17 H14 O6 -","- C34 H28 O12 -","2","1","","Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne","Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.","Organic & biomolecular chemistry","2011","9","7","2286","2293","10.1039/c0ob00735h","","","0.71073","MoKα","","0.0397","0.0341","","0.0797","0.077","0.0797","","","1.083","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151816","10.1275","0.0004","19.1023","0.0007","8.0831","0.0003","90","","106.182","0.001","90","","1501.79","0.1","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Methyl 6,6-dimethyl-5,6-dihydroindolo(1,2-a)quinoxaline-3-carboxylate","Methyl 6,6-dimethyl-5,6-dihydroindolo[1,2-a]quinoxaline-3-carboxylate","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","2","","Lin, Po-Tsung; Salunke, Deepak B.; Chen, Li-Hsun; Sun, Chung-Ming","Soluble polymer supported divergent synthesis of tetracyclic benzene-fused pyrazino/diazepino indoles: an advanced synthetic approach to bioactive scaffolds.","Organic & biomolecular chemistry","2011","9","8","2925","2937","10.1039/c0ob01126f","","","0.71073","MoKα","","0.0344","0.0318","","","0.0912","0.1044","","","","","","1.15","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7152248","10.0612","0.001","18.1279","0.0019","17.8048","0.0018","90","","98.285","0.003","90","","3213.5","0.6","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C76 H34 Br8 F4 N4 -","- C76 H34 Br8 F4 N4 -","- C152 H68 Br16 F8 N8 -","2","1","","Jiang, Xiu-Zhao; Cai, Chen-Xin; Liu, Jin-Tao; Uno, Hidemitsu","Novel syntheses and properties of meso-tetraaryl-octabromo-tetranaphtho[2,3]porphyrins (Ar(4)Br(8)TNPs).","Organic & biomolecular chemistry","2012","10","15","3110","3115","10.1039/c2ob00041e","","","0.71073","MoKα","","0.0593","0.0474","","","0.1225","0.1317","","","","","","1.033","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152470","20.057","0.003","22.223","0.003","18.474","0.003","90","","109.497","0.002","90","","7762","2","173","2","173","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C119 H169 B6 Cd F24 N31 O60 -","- C96 H100 B6 Cd F24 N8 O14 -","- C192 H200 B12 Cd2 F48 N16 O28 -","2","1","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1188","0.0855","","","0.2214","0.2405","","","","","","0.926","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152644","14.482","0.003","13.25","0.003","29.776","0.007","90","","116.67","0.03","90","","5106","2","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","5,10,15,20-tetratolyl-2-aza-21-diphenylthiophosphoryl-21-carbaporphiryn 2.6 dichloromethane solvate","","- C122.58 H99.16 Cl5.16 N8 P2 S2 -","- C122.581 H99.162 Cl5.162 N8 P2 S2 -","- C245.162 H198.324 Cl10.324 N16 P4 S4 -","2","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.0947","0.0627","","","0.1517","0.1615","","","","","","1.001","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7154148","8.3521","0.0003","14.3086","0.0006","23.7793","0.0007","90","","97.573","0.002","90","","2817","0.18","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H33 Br N3 O6 S -","- C28 H33 Br N3 O6 S -","- C112 H132 Br4 N12 O24 S4 -","4","2","","Fuentes de Arriba, Angel L.; Herrero, Angel Gómez; Rubio, Omayra H.; Monleón, Laura M; Simón Rubio, Luis; Alcázar, Victoria; Sanz, Francisca; Morán, Joaquín R","Chiral recognition with a benzofuran receptor that mimics an oxyanion hole.","Organic & biomolecular chemistry","2015","13","2","493","501","10.1039/c4ob01954g","","","1.54178","CuKα","","0.0624","0.0485","","","0.1467","0.1526","","","","","","1.178","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154971","8.0468","0.0007","12.1197","0.001","7.5388","0.0007","90","","91.03","","90","","735.1","0.11","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H10 Br2 N2 O -","- C16 H10 Br2 N2 O -","- C32 H20 Br4 N4 O2 -","2","1","","Xu, Jun; Zhu, Xiaolei; Zhou, Guobin; Ying, Beibei; Ye, Pingping; Su, Lingying; Shen, Chao; Zhang, Pengfei","Copper(ii)-catalyzed C5 and C7 halogenation of quinolines using sodium halides under mild conditions.","Organic & biomolecular chemistry","2016","14","11","3016","3021","10.1039/c6ob00169f","","","0.71073","MoKα","","0.0607","0.0595","","","0.1538","0.1553","","","","","","1.022","","","","has coordinates,has disorder","181792","2020-10-21","18:00:00",""
"7155419","4.7845","0.0014","7.017","0.002","21.72","0.006","90","","92.133","0.004","90","","728.7","0.4","150","","150.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(1-methyl-1H-indol-3-yl)-2-(4-nitrophenyl)acetamide","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C34 H30 N6 O6 -","2","1","","Reekie, Tristan A.; Wilkinson, Shane M.; Law, Vivian; Hibbs, David E.; Ong, Jennifer A.; Kassiou, Michael","Rapid access to N-(indol-2-yl)amides and N-(indol-3-yl)amides as unexplored pharmacophores.","Organic & biomolecular chemistry","2017","15","3","576","580","10.1039/c6ob02622b","","","0.71073","","","0.065","0.0395","","","0.0674","0.0754","","","","","","1.041","","","","has coordinates","191742","2020-10-21","18:00:00",""
"7155805","8.5138","0.0009","5.9254","0.0006","10.259","0.0011","90","","105.511","0.0011","90","","498.69","0.09","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","glyzide acetyl diazaborine","","- C10 H12 B N3 O2 -","- C10 H12 B N3 O2 -","- C20 H24 B2 N6 O4 -","2","1","","Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan","Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01708A","","","0.71073","MoKα","","0.032","0.0296","","","0.0697","0.0723","","","","","","1.033","","","","has coordinates,has disorder","199662","2020-10-21","18:00:00",""
"7155842","9.1046","0.0008","15.0988","0.0014","14.5408","0.0015","90","","93.271","0.006","90","","1995.6","0.3","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H25 N3 O2 -","- C23 H25 N3 O2 -","- C92 H100 N12 O8 -","4","2","","Garcia-Valverde, Maria; Pertejo, Pablo; Peña-Calleja, Pablo; Carreira-Barral, Israel; quesada, roberto; Cordero, Nicolás A.; Rodríguez, Francisco J.","Novel pyrrolobenzodiazepine and pyrroloquinazoline scaffolds synthesized by a simple and highly selective Ugi/cyclization sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01807J","","","0.71073","MoKα","","0.088","0.0618","","","0.1384","0.1561","","","","","","1.044","","","","has coordinates","199850","2020-10-21","18:00:00",""
"7155893","21.834","0.004","4.927","0.001","22.042","0.004","90","","97.23","0.03","90","","2352.3","0.8","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C27 H6 F15 N3 O3 -","- C27 H6 F15 N3 O3 -","- C108 H24 F60 N12 O12 -","4","2","","Mehr, S. Hessam M.; Oshima, Hiroya; Carta, Veronica; Patrick, Brian O.; White, Nicholas G.; MacLachlan, Mark J.","Tuning the tautomeric behavior of tris(salicylaldimines)","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02058A","","x-ray","0.68879","","","0.039","0.0344","","","0.0903","0.0929","","","","","","1.104","","","","has coordinates,has disorder","201396","2020-10-21","18:00:00",""
"7155901","12.0339","0.0012","12.2457","0.0012","8.4183","0.0008","90","","107.164","0.0019","90","","1185.3","0.2","223.1","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C30 H22 N2 O4 -","- C30 H22 N2 O4 -","- C60 H44 N4 O8 -","2","1","","Luccarelli, James; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Unpicking the determinants of amide NH••O=C hydrogen bond strength with diphenylacetylene molecular balances","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02026K","","","0.71075","MoKα","","","0.052","","","","0.1082","","","","","","1.039","","","","has coordinates","201398","2020-10-21","18:00:00",""
"7155902","12.1075","0.0014","12.4511","0.0014","8.6144","0.001","90","","105.293","0.002","90","","1252.7","0.2","223.1","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C31 H24 N2 O5 -","- C31 H24 N2 O5 -","- C62 H48 N4 O10 -","2","1","","Luccarelli, James; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Unpicking the determinants of amide NH••O=C hydrogen bond strength with diphenylacetylene molecular balances","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02026K","","","0.71075","MoKα","","","0.063","","","","0.139","","","","","","1.075","","","","has coordinates","201398","2020-10-21","18:00:00",""
"7155996","7.7842","0.0016","19.387","0.004","8.315","0.0017","90","","106.96","0.03","90","","1200.3","0.5","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H34 N4 O5 -","- C24 H34 N4 O5 -","- C48 H68 N8 O10 -","2","1","","Bellucci, M. C.; Frigerio, M.; Castellano, C.; Meneghetti, F.; Sacchetti, A.; Volonterio, A.","Design, synthesis, and conformational analysis of 3-cyclo-butylcarbamoyl hydantoins as novel hydrogen bond driven universal peptidomimetics.","Organic & biomolecular chemistry","2018","16","4","521","525","10.1039/c7ob02680c","","","0.71073","MoKα","","0.1224","0.089","","","0.1501","0.1659","","","","","","1.245","","","","has coordinates","230704","2020-10-21","18:00:00",""
"7156001","7.966","0.002","9.708","0.003","13.669","0.004","90","","98.158","0.005","90","","1046.4","0.5","203","","203","","","","","","","","","5","P 1 c 1","P -2yc","7","","2-((3-(4-nitrophenyl)-1-tosyl-1H-pyrazol-4-yl)methyl)benzonitrile","","- C24 H18 N4 O4 S -","- C24 H18 N4 O4 S -","- C48 H36 N8 O8 S2 -","2","1","","Yang, Ying; Hu, Zi-Lin; Li, Ren-Hao; Chen, Yi-Hui; Zhan, Zhuang-Ping","Pyrazole synthesis via a cascade Sonogashira coupling/cyclization of N-propargyl sulfonylhydrazones.","Organic & biomolecular chemistry","2018","16","2","197","201","10.1039/c7ob02576a","","","0.71073","MoKα","","0.0468","0.0423","","","0.0966","0.099","","","","","","1.042","","","","has coordinates","230714","2020-10-21","18:00:00",""
"7156129","8.521","0.005","10.998","0.005","23.489","0.01","90","","93.24","0.04","90","","2197.7","1.9","295","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C27 H22 N4 O2 -","- C27 H22 N4 O2 -","- C108 H88 N16 O8 -","4","2","","Obydennov, D. L.; Khammatova, L. R.; Eltsov, O. S.; Sosnovskikh, V. Y.","A chemo- and regiocontrolled approach to bipyrazoles and pyridones via the reaction of ethyl 5-acyl-4-pyrone-2-carboxylates with hydrazines.","Organic & biomolecular chemistry","2018","16","10","1692","1707","10.1039/c7ob02725g","","","1.54184","CuKα","","0.0563","0.045","","","0.1162","0.125","","","","","","1.006","","","","has coordinates,has disorder","230587","2020-10-21","18:00:00",""
"7156233","11.8242","0.0005","5.6357","0.0002","20.6262","0.0008","90","","99.544","0.004","90","","1355.46","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H11 N3 O -","- C18 H11 N3 O -","- C72 H44 N12 O4 -","4","2","","Liu, Xiaozu; Zhou, Yuxiang; Chen, Guojun; Yang, Zhongqin; Li, Qin; Liu, Peijun","Iodine-catalyzed oxidative annulation of 3-cyanoacetylindoles with benzylamines: facile access to 5-(3-indolyl)oxazoles.","Organic & biomolecular chemistry","2018","16","19","3572","3575","10.1039/c8ob00833g","","x-ray","1.54184","CuKα","","0.1427","0.1363","","","0.3392","0.3537","","","","","","1.564","","","","has coordinates","230730","2020-10-21","18:00:00",""
"7156890","11.4012","0.0008","24.6145","0.0017","21.8613","0.0017","90","","90.414","0.003","90","","6134.9","0.8","100","1","100","1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H15 N O4 S -","- C18 H15 N O4 S -","- C288 H240 N16 O64 S16 -","16","8","","Ghisu, Lorenza; Melis, Nicola; Serusi, Lorenzo; Luridiana, Alberto; Soddu, Francesco; Secci, Francesco; Caboni, Pierluigi; Guillot, Régis; Aitken, David J.; Frongia, Angelo","Synthesis of β-sulfinyl cyclobutane carboxylic amides via a formal α to β sulphoxide migration process.","Organic & biomolecular chemistry","2019","17","25","6143","6147","10.1039/c9ob00758j","","","0.71073","MoKα","","0.1308","0.0885","","","0.1714","0.1932","","","","","","1.032","","","","has coordinates","225174","2020-10-21","18:00:00",""
"7157479","9.6477","0.0005","14.9116","0.0008","13.3181","0.0007","90","","98.129","0.002","90","","1896.73","0.17","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","azaspiro deca trienedione","1-methyl-4-phenyl-3-(phenylselanyl)-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione","","- C44 H34 N2 O4 Se2 -","- C44 H34 N2 O4 Se2 -","- C88 H68 N4 O8 Se4 -","2","1","","Recchi, Ana Maria S.; Rosa, Pedro H. P.; Back, Davi F.; Zeni, Gilson","Selenium-promoted electrophilic cyclization of arylpropiolamides: synthesis of 3-organoselenyl spiro[4,5]trienones.","Organic & biomolecular chemistry","2020","18","18","3544","3551","10.1039/d0ob00609b","","","0.71073","MoKα","","0.0546","0.0377","","","0.0994","0.1104","","","","","","1.028","","","","has coordinates","252927","2020-10-21","18:00:00",""
"7158370","14.929","0.003","11.922","0.003","10.529","0.002","90","","92.393","0.007","90","","1872.4","0.7","296","2","296","2","","","","","","","","2","P 1 c 1","P -2yc","7","TTEA","2,6,9,10-tetrakis(p-tolylethynyl)anthracene","","- C50 H34 -","- C50 H34 -","- C100 H68 -","2","1","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.1812","0.0836","","","0.1984","0.2604","","","","","","1.026","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158927","5.8239","0.0014","15.77","0.004","9.954","0.003","90","","98.11","0.006","90","","905.1","0.4","296","2","296.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H16 N2 O S -","- C22 H16 N2 O S -","- C44 H32 N4 O2 S2 -","2","1","","Dong, Zhi-Bing; Xu, Xiao-Hu","Iodine promoted cyclization of N,N'-diphenylthiocarbamides with enaminones：a protocol for the synthesis of poly-substituted 2-iminothiazolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01477G","","","0.71073","MoKα","","0.0775","0.0436","","","0.075","0.0886","","","","","","1.076","","","","has coordinates","278576","2022-10-14","00:35:37",""
"7159209","9.1906","0.0018","18.987","0.004","9.7142","0.0016","90","","100.338","0.006","90","","1667.6","0.6","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","(ethyl (2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienoate)","(ethyl (2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienoate)","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C60 H100 N4 O16 -","4","2","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1649","0.0866","","","0.1342","0.1628","","","","","","1.019","","","","has coordinates","283485","2023-05-05","03:27:09",""
"7159627","6.14568","0.0001","12.1476","0.0002","16.5252","0.0003","90","","90.6799","0.0016","90","","1233.61","0.04","100","2","99.97","0.18","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","2","","Fresia, Marvin; Dierks, Alexandra; Jones, Peter G.; Lindel, Thomas","Synthesis of the indeno[1,2-<i>b</i>]indole core of janthitrem B.","Organic & biomolecular chemistry","2023","21","45","9065","9069","10.1039/d3ob01566a","","x-ray","0.71073","MoKα","","0.0422","0.0381","","","0.1032","0.1062","","","","","","1.082","","","","has coordinates,has disorder","288900","2024-01-06","09:45:54",""
"7200464","12.3447","0.0003","4.5957","0.0001","11.4845","0.0003","90","","95.416","0.002","90","","648.64","0.03","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C32 H26 N6 O2 -","2","1","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.0272","0.026","","","0.0639","0.0646","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201343","9.475","0.0019","10.6","0.002","13.314","0.004","90","","129.625","0.019","90","","1030","0.5","173","2","173","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C8 H27 Al B5 F N6 O10 Zn -","- C8 H27 Al B5 F N6 O10 Zn -","- C16 H54 Al2 B10 F2 N12 O20 Zn2 -","2","1","","Zhou, Jian; Zheng, Shou-Tian; Zhang, Mingyi; Liu, Guang-Zhen; Yang, Guo-Yu","A new layered aluminoborate [Zn(dien)2][{Al(OH)}{B5O9F}] templated by transition metal complexes","CrystEngComm","2009","11","12","2597","","10.1039/b909693k","","","0.71073","MoKα","","0.0785","0.0652","","","0.1743","0.1889","","","","","","1.015","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201699","8.926","0.007","16.448","0.013","12.652","0.01","90","","97.353","0.009","90","","1842","3","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C11 H15 Fe2 O8 P S2 -","- C11 H15 Fe2 O8 P S2 -","- C44 H60 Fe8 O32 P4 S8 -","4","2","","Li, Ping; Wang, Mei; Chen, Lin; Wang, Ning; Zhang, Tingting; Sun, Licheng","Supramolecular self-assembly of a [2Fe2S] complex with a hydrophilic phosphine ligand","CrystEngComm","2008","10","3","267","","10.1039/b713159c","","","0.71073","MoKα","","0.0361","0.0339","","","0.0929","0.0946","","","","","","1.018","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7202007","5.422","0.0003","6.2926","0.0004","14.5732","0.001","90","","98.472","0.004","90","","491.79","0.05","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H6 N2 O8 U -","- C6 H6 N2 O8 U -","- C12 H12 N4 O16 U2 -","2","1","","Masci, Bernardo; Thuéry, Pierre","Hydrothermal synthesis of uranyl‒organic frameworks with pyrazine-2,3-dicarboxylate linkers","CrystEngComm","2008","10","8","1082","","10.1039/b802378f","","","0.71073","MoKα","","0.0154","0.0151","","","0.0378","0.038","","","","","","1.065","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202416","6.7735","0.0005","9.3861","0.0007","16.9365","0.0013","90","","92.569","0.001","90","","1075.69","0.14","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H16 N2 Nd2 O18 -","- C16 H16 N2 Nd2 O18 -","- C32 H32 N4 Nd4 O36 -","2","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0273","0.0262","","","0.0555","0.0564","","","","","","1.025","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7203068","10.864","0.002","5.116","0.001","12.282","0.002","90","","104.53","0.01","90","","660.8","0.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","catena-(mu-cyanido-kappaC,N)(mu-isonicotinato-kappaN,O) (mu- isonicotinic acid-kappaN,O)dicopper(i)","catena-(μ-cyanido-κC,N)(μ-isonicotinato-κN,O) (μ-isonicotinic acid-κN,O)dicopper(I)","","- C13 H9 Cu2 N3 O4 -","- C13 H9 Cu2 N3 O4 -","- C26 H18 Cu4 N6 O8 -","2","1","","Amo-Ochoa, Pilar; Miguel, Pablo J. Sanz; Castillo, Oscar; Zamora, Félix","An unusual triple parallel interpenetrated 2D Cu-polymer, with a 3D triple interpenetration via H-bonding","CrystEngComm","2007","9","11","987","","10.1039/b709457d","","","0.71069","MoKα","","0.0438","0.0298","","","0.0727","0.0756","","","","","","0.947","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203144","12.1969","0.0007","8.3847","0.0005","15.5757","0.001","90","","95.676","0.002","90","","1585.08","0.17","223","2","223","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C22 H37 N3 O4 P2 S4 Zn -","- C22 H37 N3 O4 P2 S4 Zn -","- C44 H74 N6 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.065","0.051","","","0.118","0.128","","","","","","1.01","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203292","10.4434","0.0005","16.95","0.0008","30.3408","0.0013","90","","92.81","0.002","90","","5364.3","0.4","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C108 H103 Cu2 N13 O14 S9 -","- C108 H99 Cu2 N13 O14 S9 -","- C216 H198 Cu4 N26 O28 S18 -","2","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.111","0.0578","","","0.1183","0.1427","","","","","","1.023","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203551","15.4801","0.0009","18.8355","0.0012","18.5273","0.0008","90","","102.642","0.003","90","","5271.1","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C110 H162 Ba N2 O22 -","- C110 H162 Ba N2 O22 -","- C220 H324 Ba2 N4 O44 -","2","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.1395","0.0919","","","0.2212","0.2604","","","","","","1.008","","","","has coordinates","189177","2020-10-21","18:00:00",""
"7203832","20.312","0.003","9.9902","0.0015","15.927","0.002","90","","108.289","0.002","90","","3068.7","0.8","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H12 N2 S2 -","- C17.997 H12 N2 S1.99925 -","- C143.976 H96 N16 S15.994 -","8","4","","Smith, Christopher B.; Raston, Colin L.; Sobolev, Alexandre N.","Poly(ethyleneglycol)(PEG): a versatile reaction medium in gaining access to 4′-(pyridyl)-terpyridines","Green Chemistry","2005","7","9","650","","10.1039/b507581p","","","0.71073","MoKα","","0.0886","0.0738","","","0.1835","0.1981","","","","","","1.029","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7204537","6.201","0.001","7.933","0.002","14.948","0.003","90","","92.11","0.03","90","","734.8","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H13 F O2 S -","- C16 H13 F O2 S -","- C32 H26 F2 O4 S2 -","2","1","","Motherwell, William B.; Greaney, Michael F.; Tocher, Derek A.","Fluorination of ??-phenylsulfanyl esters using difluoroiodotoluene","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2809","","10.1039/b209079a","","","0.71073","MoKα","","0.0931","0.0588","","0.1842","0.1313","","","","1.107","0.986","0.986","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204681","15.0502","0.0006","15.0545","0.0006","21.5114","0.0004","90","","89.962","0.004","90","","4873.9","0.3","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","?","- Bi64 O224 Sn64 -","- Bi64 O224 Sn64 -","","","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.","?-Bi2Sn2O7 ? a 176 atom crystal structure from powder diffraction data","Journal of Materials Chemistry","2003","13","9","2098","","10.1039/b305211g","","","","","","","","","","","","","","","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7205345","11.29","0.003","12.609","0.004","10.281","0.003","90","","107.231","0.006","90","","1397.9","0.7","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H34 Co N4 O8 -","- C25 H34 Co N4 O8 -","- C50 H68 Co2 N8 O16 -","2","1","","Xu, Bo; Lin, Zujin; Han, Liwei; Cao, Rong","From 2D →3D inclined polycatenation to 2D →3D parallel polycatenation: a central metal cationic induce strategy","CrystEngComm","2011","13","2","440","","10.1039/c0ce00387e","","","0.71073","MoKα","","0.0575","0.0415","","","0.1058","0.1337","","","","","","1.1","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7206426","5.404","0.0007","5.4119","0.0008","40.042","0.007","90","","96.158","0.009","90","","1164.3","0.3","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H41 N3 O4 -","- C22 H41 N3 O4 -","- C44 H82 N6 O8 -","2","1","","Duong, Adam; Maris, Thierry; Wuest, James D.","Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids","CrystEngComm","2011","13","18","5571","","10.1039/c1ce05445g","","","1.54178","CuKα","","0.1601","0.1129","","","0.3017","0.3339","","","","","","1.074","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206879","11.0819","0.0006","7.9976","0.0004","9.985","0.0005","90","","94.048","0.001","90","","882.75","0.08","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Isonicotinamide","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C36 H36 N12 O6 -","6","3","","Eccles, Kevin S.; Deasy, Rebecca E.; Fábián, László; Braun, Doris E.; Maguire, Anita R.; Lawrence, Simon E.","Expanding the crystal landscape of isonicotinamide: concomitant polymorphism and co-crystallisation","CrystEngComm","2011","13","23","6923","","10.1039/c1ce06320k","","","0.71073","MoKα","","0.0385","0.0352","","","0.0918","0.094","","","","","","1.168","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206943","17.264","0.002","4.7225","0.0007","11.9008","0.0017","90","","90.091","0.002","90","","970.3","0.2","296","2","296","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.1001","0.0768","","","0.2048","0.2257","","","","","","1.017","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207267","8.1408","0.0002","10.6093","0.0002","15.5627","0.0003","90","","95.408","0.002","90","","1338.14","0.05","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","2","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0595","0.0448","","","0.0932","0.0963","","","","","","1.005","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207361","9.5565","0.0005","12.4706","0.0006","22.8429","0.001","90","","102.6","0.002","90","","2656.7","0.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H42 Mn3 N8 O22 -","- C30 H42 Mn3 N8 O22 -","- C60 H84 Mn6 N16 O44 -","2","1","","Zhang, Ming-Yang; Shan, Wei-Jun; Han, Zheng-Bo","Syntheses and magnetic properties of three Mn(ii) coordination polymers based on a tripodal flexible ligand","CrystEngComm","2012","14","5","1568","","10.1039/c1ce06213a","","","0.71073","MoKα","","0.0519","0.0454","","","0.1089","0.113","","","","","","0.981","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207672","10.572","0.002","13.755","0.003","15.127","0.003","90","","94.03","0.03","90","","2194.3","0.8","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","(Co(L1H)(L2)2(NO3)).(L1H2)","","","- C50 H47 Co N5 O7 -","- C50 H47 Co N5 O7 -","- C100 H94 Co2 N10 O14 -","2","1","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.1213","0.0736","","","0.1271","0.1542","","","","","","1.028","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207699","9.759","0.004","16.442","0.007","12.446","0.005","90","","110.435","0.011","90","","1871.4","1.3","123","2","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","Choline BScB","2-hydroxy-N,N,N-trimethylethanaminium 4,4'-dioxo-4H, 4'H-2,2'-spirobi[benzo[d][1,3,2]dioxaborinin]-2-uide","","- C38 H30 B2 N2 O14 -","- C38 H30 B2 N2 O14 -","- C76 H60 B4 N4 O28 -","2","1","","Shah, Faiz Ullah; Glavatskih, Sergei; Dean, Pamela M.; MacFarlane, Douglas R.; Forsyth, Maria; Antzutkin, Oleg N.","Halogen-free chelated orthoborate ionic liquids and organic ionic plastic crystals","Journal of Materials Chemistry","2012","22","14","6928","","10.1039/c2jm12657e","","","0.71073","MoKα","","0.1708","0.0741","","","0.178","0.2325","","","","","","0.968","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207737","8.1319","0.0004","3.7102","0.0002","16.8711","0.0009","90","","100.455","0.005","90","","500.57","0.05","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C14 H8 O4 -","- C14 H8 O4 -","- C28 H16 O8 -","2","1","","Cyrański, Michał K.; Jamróz, Michał H.; Rygula, Anna; Dobrowolski, Jan Cz.; Dobrzycki, Łukasz; Baranska, Malgorzata","On two alizarin polymorphs","CrystEngComm","2012","14","10","3667","","10.1039/c2ce06063a","","","1.54178","CuKα","","0.06","0.0421","","","0.1026","0.1082","","","","","","0.966","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7208397","11.8432","0.0004","12.4409","0.0004","15.8426","0.0004","90","","109.147","0.001","90","","2205.12","0.12","296","2","296.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C34 H35 Ag3 Cl3 N17 O12 -","- C34 H35 Ag3 Cl3 N17 O12 -","- C68 H70 Ag6 Cl6 N34 O24 -","2","1","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.0221","0.0204","","","0.0477","0.0485","","","","","","1.033","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208730","13.1954","0.0007","23.8866","0.001","11.2041","0.0007","90","","114.105","0.007","90","","3223.5","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C68.4 H64.8 Cl2 N8 Ni O10.8 -","- C68.4 H64.8 Cl2 N8 Ni O10.8 -","- C136.8 H129.6 Cl4 N16 Ni2 O21.6 -","2","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0955","0.0875","","","0.2353","0.2476","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209110","15.268","0.006","6.4161","0.0019","8.461","0.003","90","","105.286","0.005","90","","799.5","0.5","110","2","110","2","","","","","","","","4","P 1 c 1","P -2yc","7","1:1:1 solvate of nitrofurantoin, 3-picoline and water","1:1:1 solvate of nitrofurantoin, 3-picoline and water","","- C14 H15 N5 O6 -","- C14 H15 N5 O6 -","- C28 H30 N10 O12 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71075","MoKα","","0.0345","0.0333","","","0.0823","0.0833","","","","","","1.075","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209167","7.0476","0.0014","9.2828","0.0019","10.069","0.002","90","","105.45","0.03","90","","634.9","0.2","106","2","106","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H11 N5 O2 S -","- C12 H11 N5 O2 S -","- C24 H22 N10 O4 S2 -","2","1","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0193","0.0193","","","0.0516","0.0516","","","","","","1.052","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209374","12.1549","","10.7375","","18.517","","90","","92.326","","90","","2414.72","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","Ag8 (Ge3 O10)","","- Ag8 Ge3 O10 -","- Ag8 Ge3 O10 -","- Ag64 Ge24 O80 -","8","4","","Jansen, M.; Linke, C.","Darstellung, Kristallstruktur und physikalische Eigenschaften von Oktasilbertrigermanat, Ag8 Ge3 O10","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1591","1597","","","","","","","","","","","","","","","","","","","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209750","8.974","0.0018","9.951","0.002","29.751","0.006","90","","90.34","0.03","90","","2656.7","0.9","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl)ethanone-phenol co-crystal","","- C34 H28 N2 O3 -","- C34 H28 N2 O3 -","- C136 H112 N8 O12 -","4","2","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1614","0.0788","","","0.1346","0.1651","","","","","","1","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209852","7.044","","10.511","","9.693","","90","","106.24","","90","","689.029","","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C10 H6 Cl2 Cu2 N4 O4 -","- C10 H6 Cl2 Cu2 N4 O4 -","- C20 H12 Cl4 Cu4 N8 O8 -","2","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1202","0.0942","","","0.2265","0.2602","","","","","","1.048","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209904","6.3859","0.0002","13.0144","0.0005","18.0253","0.0007","90","","98.581","0.004","90","","1481.29","0.09","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H25 F18 N6 P3 -","- C22 H25 F18 N6 P3 -","- C44 H50 F36 N12 P6 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.074","0.0508","","","0.1329","0.1538","","","","","","1.006","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7210217","9.821","0.003","7.135","0.002","12.126","0.002","90","","116.6","0.02","90","","759.8","0.4","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2,4-Diamino-6-phenyl-1,3,5-triazine+benzoic acid","","- C16 H15 N5 O2 -","- C16 H15 N5 O2 -","- C32 H30 N10 O4 -","2","1","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.0931","0.0869","","","0.2169","0.2213","","","","","","1.576","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210390","8.23","0.004","21.274","0.01","14.195","0.007","90","","105.466","0.006","90","","2395","2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H21 N6 O9.5 Zn2 -","- C20 H20 N6 O9.5 Zn2 -","- C80 H80 N24 O38 Zn8 -","4","2","","Yang, Feilong; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","A three-dimensional structure built of paddle-wheel and triazolate-dinuclear metal clusters: synthesis, deformation and reformation of paddle-wheel unit in the single-crystal-to-single-crystal transformation","CrystEngComm","2013","15","35","7031","","10.1039/c3ce40855h","","","0.71073","MoKα","","0.078","0.0566","","","0.1462","0.1663","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210748","11.7158","0.0011","3.8018","0.0004","10.9082","0.001","90","","100.377","0.007","90","","477.92","0.08","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C22 H16 F2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0907","0.0584","","","0.0973","0.1052","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210950","26.359","0.005","15.14","0.003","20.434","0.004","90","","99.63","0.03","90","","8040","3","293","2","293","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C144 H124 Cl2 Cu10 Gd4 I8 N12 O46 -","- C144 H124 Cl2 Cu10 Gd4 I8 N12 O46 -","- C288 H248 Cl4 Cu20 Gd8 I16 N24 O92 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Three pillared-layer 3d‒4f heterometallic frameworks based on tetranuclear lanthanide clusters","CrystEngComm","2013","15","45","9504","","10.1039/c3ce41010b","","","0.71073","MoKα","","0.0654","0.0591","","","0.1419","0.1477","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211434","13.4533","0.0005","9.833","0.0004","22.8428","0.0009","90","","93.222","0.005","90","","3017","0.2","130","1","130","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H12 F2 O3 -","- C19 H12 F2 O3 -","- C152 H96 F16 O24 -","8","4","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","1.54178","CuKα","","0.0341","0.0332","","","0.0909","0.0922","","","","","","1.016","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7212436","15.345","0.014","5.395","0.002","8.604","0.007","90","","105.57","0.03","90","","686.2","0.9","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H16 O4 S -","- C15 H16 O4 S -","- C30 H32 O8 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.1135","0.0809","","","0.1918","0.2263","","","","","","1.066","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212437","13.0726","0.0006","5.289","0.0002","8.9303","0.0003","90","","90.231","0.003","90","","617.44","0.04","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C13 H10 F N O4 S -","- C13 H10 F N O4 S -","- C26 H20 F2 N2 O8 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0272","0.0263","","","0.0667","0.0675","","","","","","1.072","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212444","15.4234","0.0011","5.441","0.0004","8.1642","0.0005","90","","105.124","0.002","90","","661.4","0.08","180","2","180","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C30 H32 O6 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0376","0.0349","","","0.0904","0.0922","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212508","6.771","0.0014","5.591","0.0011","18.1","0.004","90","","90.4","0.03","90","","685.2","0.2","295","2","295","2","","","1800000","","","","","4","P 1 c 1","P -2yc","7","pyridine:methanol 3:1 cocrystal","pyridine:methanol 3:1 cocrystal","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C32 H38 N6 O2 -","2","1","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.3587","0.3001","","","0.285","0.307","","","","","","2.301","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212565","6.105","0.003","3.9567","0.0015","13.714","0.007","90","","99.163","0.007","90","","327","0.3","270","2","270","2","","","","","","","","4","P 1 c 1","P -2yc","7","1-bromo-2,4,6-trifluorobenzene","1-bromo-2,4,6-trifluorobenzene","","- C6 H2 Br F3 -","- C6 H2 Br F3 -","- C12 H4 Br2 F6 -","2","1","","Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K.","Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions","CrystEngComm","2010","12","9","2584","","10.1039/c001539n","","","0.71073","MoKα","","0.0405","0.0341","","","0.0837","0.0863","","","","","","1.062","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212566","6.038","0.002","3.878","0.0012","13.594","0.005","90","","98.474","0.006","90","","314.83","0.18","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","1-bromo-2,4,6-trifluorobenzene","1-bromo-2,4,6-trifluorobenzene","","- C6 H2 Br F3 -","- C6 H2 Br F3 -","- C12 H4 Br2 F6 -","2","1","","Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K.","Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions","CrystEngComm","2010","12","9","2584","","10.1039/c001539n","","","0.71073","MoKα","","0.0357","0.0355","","","0.0935","0.0938","","","","","","1.105","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212659","6.1091","0.0004","25.558","0.002","7.7455","0.0002","90","","111.7","0.002","90","","1123.65","0.12","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","Mop","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1104","0.0556","","","0.1291","0.161","","","","","","1.021","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212684","11.5483","0.0003","7.7905","0.0002","7.7488","0.0002","90","","101.708","0.002","90","","682.63","0.03","123","0.1","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H9 Br F5 N -","- C13 H9 Br F5 N -","- C26 H18 Br2 F10 N2 -","2","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.0223","0.0201","","","0.0438","0.0445","","","","","","1.08","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212687","11.7935","0.0006","7.5988","0.0003","7.5838","0.0003","90","","103.138","0.003","90","","661.84","0.05","123","2","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H9 Cl F5 N -","- C13 H9 Cl F5 N -","- C26 H18 Cl2 F10 N2 -","2","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71069","MoKα","","0.0404","0.0356","","","0.0746","0.0763","","","","","","1.042","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7214030","5.5377","0.0001","13.9715","0.0002","7.6737","0.0001","90","","93.472","0.001","90","","592.624","0.016","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","Bis(2-amino-1,3,4-thiadiazolium(1+) selenate monohydrate","","","- C4 H8 N6 O5 S2 Se -","- C4 H8 N6 O5 S2 Se -","- C8 H16 N12 O10 S4 Se2 -","2","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.035","0.035","","","0.0873","0.0873","","","","","","1.129","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7216604","10.5191","0.0004","17.3144","0.0006","29.5797","0.001","90","","91.455","0.002","90","","5385.7","0.3","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C108 H99 B4 Cu2 F16 N9 S9 -","- C108 H99 B4 Cu2 F16 N9 S9 -","- C216 H198 B8 Cu4 F32 N18 S18 -","2","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0656","0.052","","","0.1285","0.1416","","","","","","1.014","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216663","4.2333","0.0003","32.768","0.002","9.9627","0.0008","90","","93.76","0.001","90","","1379.02","0.17","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","TW-1-67 [2-(3-pyridyl)-imidazole], 4,4'-diiodo-F8-biphenyl","","- C28 H14 F8 I2 N6 -","- C28 H14 F8 I2 N6 -","- C56 H28 F16 I4 N12 -","2","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0216","0.0205","","","0.0475","0.048","","","","","","1.027","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7217841","20.1555","0.0002","9.6757","0.0001","25.46","0.0003","90","","100.668","0.001","90","","4879.36","0.09","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 c 1","P -2yc","7","","","","- C33 H25 N3 O2 -","- C33 H25 N3 O2 -","- C264 H200 N24 O16 -","8","4","","Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.","Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.","Physical chemistry chemical physics : PCCP","2014","16","40","22207","22221","10.1039/c4cp02629b","","","1.54178","CuKα","","0.0531","0.0461","","","0.1183","0.1241","","","","","","1.034","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7218948","9.676","0.002","5.8938","0.0013","19.693","0.004","90","","94.577","0.003","90","","1119.5","0.4","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","3-[2-(1,3-dimethyl-benzimidazole-2-yl)-vinyl]-1-benzyl-indole iodide","","","- C26 H24 I N3 -","- C26 H24 I N3 -","- C52 H48 I2 N6 -","2","1","","Jia, Hongliang; Lv, Ying; Wang, Shu; Sun, Dan; Wang, Lanying","Synthesis, crystal structures, spectral properties of double N-alkylated dimethine cyanine dyes as well as their interaction with biomolecules and living cells","RSC Adv.","2014","","","","","10.1039/C4RA10741A","","","0.71073","MoKα","","0.0451","0.0413","","","0.1181","0.132","","","","","","0.99","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219773","6.9597","0.0011","6.8943","0.0011","18.317","0.003","90","","96.213","0.004","90","","873.7","0.2","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H21.5 Cu2 N8 O13.75 S -","- C4 H21.5 Cu2 N8 O13.75 S -","- C8 H43 Cu4 N16 O27.5 S2 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.037","0.0304","","","0.0698","0.0734","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219792","12.496","0.005","3.71","0.0014","22.745","0.009","90","","93.123","0.005","90","","1052.9","0.7","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.081","0.0545","","","0.1247","0.1396","","","","","","1.016","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219981","13.3929","0.0001","5.4658","0.0001","33.5433","0.0004","90","","97.438","0.001","90","","2434.81","0.06","130","0.1","130","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H25 Br2 O6 -","- C23 H22 Br2 O6 -","- C92 H88 Br8 O24 -","4","2","","Hickey, Shane M.; Ashton, Trent D.; White, Jonathan M.; Li, Jian; Nation, Roger L.; Yu, Heidi Y.; Elliott, Alysha G.; Butler, Mark S.; Huang, Johnny X.; Cooper, Matthew A.; Pfeffer, Frederick M.","Synthesis of norbornane bisether antibiotics via silver-mediated alkylation","RSC Adv.","2015","5","36","28582","","10.1039/C5RA03321G","","","1.5418","CuKα","","0.0432","0.0431","","","0.1161","0.1162","","","","","","1.047","","","","has coordinates,has disorder","193656","2020-10-21","18:00:00",""
"7220064","7.671","0.005","6.82","0.005","25.658","0.018","90","","94.011","0.01","90","","1339","1.6","296","2","296","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C20 H26 Cl2 Eu K N2 O11 -","- C20 H26 Cl2 Eu K N2 O11 -","- C40 H52 Cl4 Eu2 K2 N4 O22 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Wang, Ping; Wang, Xinming; Gao, Song; Dong, Yuwei; Wang, Yulei; Yang, Yulin","Structure variations of series lanthanide complexes constructed from quinoline carboxylate ligand: photoluminescent properties and PMMA matrices doping","RSC Adv.","2015","","","","","10.1039/C5RA01796C","","","0.71073","MoKα","","0.1181","0.0883","","","0.1973","0.2189","","","","","","1.089","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220824","6.9597","0.0011","6.8943","0.0011","18.317","0.003","90","","96.213","0.004","90","","873.7","0.2","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H21.5 Cu2 N8 O13.75 S -","- C4 H21.5 Cu2 N8 O13.75 S -","- C8 H43 Cu4 N16 O27.5 S2 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.037","0.0304","","","0.0698","0.0734","","","","","","1.048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221507","7.326","","6.537","","12.929","","90","","112.21","","90","","573.231","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","Li3 (V O4) (H2 O)8","","- H16 Li3 O12 V -","- Li3 O12 V -","- Li6 O24 V2 -","2","1","","Schnabel, S.; Roehr, C.","Hydrates of Li3 V O4: synthesis and structural chemistry","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","1235","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221698","10.1032","0.0008","9.2299","0.0007","31.773","0.003","90","","107.486","0.002","90","","2826","0.4","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C92 H110 Co10 N16 O59 P4 -","- C92 H110 Co10 N16 O59 P4 -","- C92 H110 Co10 N16 O59 P4 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0569","0.0403","","","0.0863","0.0965","","","","","","0.999","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221871","5.329","0.0014","5.1935","0.0013","14.949","0.004","90","","99.833","0.005","90","","407.65","0.18","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_200K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0638","0.0474","","","0.0897","0.0979","","","","","","0.992","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221872","5.3191","0.0016","5.1827","0.0016","14.894","0.005","90","","99.704","0.005","90","","404.7","0.2","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_150K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0427","0.0388","","","0.0918","0.0945","","","","","","1.062","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221873","5.3122","0.0002","5.177","0.0002","14.8307","0.0006","90","","99.493","0.002","90","","402.28","0.03","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_100K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0446","0.0369","","","0.0906","0.0952","","","","","","1.029","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221874","5.3426","0.0015","5.2051","0.0015","15.021","0.004","90","","100.003","0.006","90","","411.4","0.2","250","2","250","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_250K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0821","0.049","","","0.0855","0.1001","","","","","","1.008","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221875","5.359","0.004","5.224","0.004","15.101","0.013","90","","100.228","0.018","90","","416","0.6","300","2","300","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_300K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.1006","0.0525","","","0.1126","0.1344","","","","","","0.959","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7222144","12.8572","0.0003","18.3621","0.0004","16.6259","0.0003","90","","100.142","0.002","90","","3863.8","0.14","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","FCl-AlMe","","- C40 H55 Al Cl F O3 -","- C40 H55 Al Cl F O3 -","- C160 H220 Al4 Cl4 F4 O12 -","4","2","","Chen, Hsing-Yin; Lee, Ying Hsien; Chiang, Michael, Y.; Lu, Wei-Yi; Tseng, Hsi-Ching; Chen, Yu-Hsieh; Lai, Yi-Chun; Lin, Chu-Chieh; Chen, Hsuan-Ying","Coordinating Effect in Ring-opening Polymerization of ε-Caprolactone Using Aluminum Complexes Bearing Bisphenolate as Catalysts","RSC Adv.","2015","","","","","10.1039/C5RA10753A","","","0.7107","MoKα","","0.0549","0.0419","","","0.0937","0.0999","","","","","","1.083","","","","has coordinates,has disorder","156351","2020-10-21","18:00:00",""
"7223389","11.4472","0.0006","12.6502","0.0009","9.4907","0.0005","90","","97.657","0.005","90","","1362.09","0.14","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-methoxysalicylaldehyde benzhydrazone","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","2","","Vrdoljak, Visnja; Pavlović, Gordana; Hrenar, Tomica; Rubčić, Mirta; Siega, Patrizia; Dreos, Renata; Cindric, Marina","Cobalt(III) complexes with tridentate hydrazone ligands: protonation state and hydrogen bonds competition","RSC Adv.","2015","","","","","10.1039/C5RA22068H","","","0.71073","MoKα","","0.119","0.0644","","","0.1456","0.1735","","","","","","1","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7224841","11.18176","0.00015","15.2528","0.0002","19.3375","0.0003","90","","90.2091","0.0012","90","","3298.05","0.08","150","","150","","","","","","","","synthesized","5","P 1 c 1","P -2yc","7","","[HHTP.TBA.Cl]n","","- C68 H96 Cl2 N2 O12 -","- C68 H96 Cl2 N2 O12 -","- C136 H192 Cl4 N4 O24 -","2","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0416","0.0403","","0.1067","0.1055","0.1067","","","","","","0.9297","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7225065","42.86","0.009","11.426","0.002","7.3826","0.0015","90","","90.59","0.03","90","","3615.2","1.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C28 H52 N2 O12 P4 -","- C28 H52 N2 O12 P4 -","- C112 H208 N8 O48 P16 -","4","2","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0598","0.0504","","","0.1039","0.1079","","","","","","1.131","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225231","5.9545","0.0005","10.629","0.0008","10.1521","0.0006","90","","98.878","0.007","90","","634.83","0.08","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C28 H34 N2 O6 -","2","1","","Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail","The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide","RSC Adv.","2016","","","","","10.1039/C6RA10249B","","","0.71073","MoKα","","0.0496","0.0442","","","0.109","0.1147","","","","","","1.074","","","","has coordinates","182930","2020-10-21","18:00:00",""
"7225491","3.7737","0.0014","14.259","0.005","8.993","0.003","90","","101.23","0.04","90","","474.6","0.3","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C9 H7 Cl N4 O -","- C9 H7 Cl N4 O -","- C18 H14 Cl2 N8 O2 -","2","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0831","0.0727","","","0.1938","0.2008","","","","","","1.144","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225539","9.0256","0.0002","17.1443","0.0005","17.7904","0.0005","90","","94.268","0.003","90","","2745.21","0.13","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","Tolbutamide form II","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C96 H144 N16 O24 S8 -","8","4","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0948","0.0632","","","0.0984","0.1086","","","","","","1.036","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225595","4.9955","0.0001","17.1031","0.0004","13.0176","0.0003","90","","100.38","0.002","90","","1094","0.04","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","","(F2_23 or 11-059)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0722","0.0438","","","0.0895","0.0988","","","","","","0.991","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225596","5.2115","0.0002","6.4193","0.0003","16.1911","0.0007","90","","97.894","0.004","90","","536.53","0.04","294","2","294","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(23_F2 or 10-015)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0492","0.0394","","","0.102","0.1061","","","","","","1.033","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225600","5.185","0.0008","24.767","0.004","8.3089","0.0019","90","","90.206","0.017","90","","1067","0.3","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","","(25_F2 or 10-017)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.1036","0.046","","","0.0844","0.0984","","","","","","0.82","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225867","4.8185","0.0004","10.7128","0.0009","10.5491","0.0009","90","","97.394","0.002","90","","540.01","0.08","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H6 N4 O2 Zn -","- C12 H6 N4 O2 Zn -","- C24 H12 N8 O4 Zn2 -","2","1","","Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle","Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid","CrystEngComm","2016","18","34","6396","","10.1039/C6CE01273F","","","0.71073","MoKα","","0.0181","0.0175","","","0.0419","0.0422","","","","","","1.019","","","","has coordinates","186360","2020-10-21","18:00:00",""
"7226205","14.431","0.003","3.567","0.0007","22.642","0.008","90","","111.56","0.02","90","","1084","0.5","153.15","","153.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C3 H10 N10 Na O4.5 -","- C3 H10 N10 Na O4.5 -","- C12 H40 N40 Na4 O18 -","4","2","","Guo, Weiming; Zhang, Tonglai; Zhang, Bo; Feng, Yongan; Chen, Sitong; Mi, Zhenhao","Studies on sodium polymers based on Di(1H-tetrazol-5-yl) methanone oxime","RSC Adv.","2016","","","","","10.1039/C6RA15591J","","","0.71073","MoKα","","0.0753","0.0628","","","0.1697","0.1903","","","","","","1.165","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7228079","7.3773","0.0015","5.741","0.0011","12.67","0.004","90","","115.92","0.02","90","","482.6","0.2","223","2","223","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C24 H20 N4 -","2","1","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0598","0.0458","","","0.1115","0.1252","","","","","","1.069","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228130","10.9724","0.0003","13.1874","0.0003","8.8415","0.0003","90","","109.768","0.003","90","","1203.95","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H24 Cl2 N4 O4 -","- C24 H24 Cl2 N4 O4 -","- C48 H48 Cl4 N8 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0335","0.0322","","","0.082","0.083","","","","","","1.052","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228179","8.86","0.005","11.293","0.006","12.717","0.006","90","","100.088","0.007","90","","1252.7","1.1","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H20 Ca2 N6 O11 -","- C22 H20 Ca2 N6 O11 -","- C44 H40 Ca4 N12 O22 -","2","1","","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","","0.0392","0.0363","","","0.0874","0.0903","","","","","","1.088","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228271","13.0499","0.0009","6.4263","0.0004","10.3169","0.0007","90","","92.655","0.006","90","","864.27","0.1","169.9","0.4","169.9","0.4","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C32 H36 N8 O12 -","2","1","","Covaci, Ovidiu Ilie; Mitran, Raul - Augustin Augustin; Buhalteanu, Lucian; Dumitrescu, Dan; Sova, Sergiu; Manta, Corina Mihaela","Bringing new life into old drugs. A case study on nifuroxazide polymorphism","CrystEngComm","2017","","","","","10.1039/C7CE00303J","","","0.71073","MoKα","","0.0583","0.0492","","","0.1165","0.1264","","","","","","1.038","","","","has coordinates","196716","2020-10-21","18:00:00",""
"7228528","12.3686","0.0008","15.9846","0.0011","9.9812","0.0007","90","","113.591","0.001","90","","1808.4","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H24 F N2 O4.5 -","- C20 H24 F N2 O4.5 -","- C80 H96 F4 N8 O18 -","4","2","","Ma, Yulu; Wang, Kai-Min; Huang, Rong; Lin, Jun; Yan, Sheng-Jiao","An environmentally benign double Michael addition reaction of heterocyclic ketene aminals with quinone monoketals for diastereoselective synthesis of highly functionly morphan derivatives in water","Green Chem.","2017","","","","","10.1039/C7GC01435J","","","0.71073","MoKα","","0.0385","0.0345","","","0.0888","0.0938","","","","","","1.041","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228769","4.8736","0.0005","8.5549","0.001","12.5992","0.0016","90","","91.428","0.004","90","","525.14","0.11","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H8 N4 O2 -","- C12 H8 N4 O2 -","- C24 H16 N8 O4 -","2","1","","A, Irudaya Jothi; Alexander, V.","Organic NLO Material with H-Bonded 1D Helical Self-Assembly: Synthesis, X-Ray Crystal Structure, DFT Calculations, SHG Measurements and Thermal Studies of (5Z,6E)-1,10-Phenanthroline-5,6-dione Dioxime","CrystEngComm","2017","","","","","10.1039/C7CE00743D","","","0.71073","MoKα","","0.0597","0.039","","","0.0911","0.102","","","","","","1.032","","","","has coordinates","199357","2020-10-21","18:00:00",""
"7229515","12.36487","0.00018","9.88933","0.00014","9.81295","0.00015","90","","104.362","0.0015","90","","1162.43","0.03","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C30 H18 N2 S3 -","- C30 H18 N2 S3 -","- C60 H36 N4 S6 -","2","1","","Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.","Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.","Physical chemistry chemical physics : PCCP","2018","20","2","752","764","10.1039/c7cp06952a","","x-ray","1.54184","CuKα","","0.0363","0.0356","","","0.0952","0.0958","","","","","","0.992","","","","has coordinates","230921","2020-10-21","18:00:00",""
"7229518","27.433","0.0009","14.3097","0.0004","8.5187","0.0003","90","","93.32","0.003","90","","3338.47","0.19","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C40 H33 N3 O S4 -","- C40 H33 N3 O S4 -","- C160 H132 N12 O4 S16 -","4","2","","Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.","Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.","Physical chemistry chemical physics : PCCP","2018","20","2","752","764","10.1039/c7cp06952a","","x-ray","0.6889","","","0.0388","0.0357","","","0.0921","0.094","","","","","","1.031","","","","has coordinates","230921","2020-10-21","18:00:00",""
"7229730","23.2181","0.0005","11.4301","0.0002","21.4414","0.0004","90","","96.059","0.002","90","","5658.44","0.19","100","","100","","","","","","","","no","6","P 1 c 1","P -2yc","7","no","salt of titanyl phthalocyanine with tetrahexylammonium cations, o-dichlorobenzene solate","","- C62 H72 Cl2 N9 O Ti -","- C62 H72 Cl2 N9 O Ti -","- C248 H288 Cl8 N36 O4 Ti4 -","4","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.0835","0.0544","","","0.1158","0.1282","","","","","","1.026","","","","has coordinates","228994","2020-10-21","18:00:00",""
"7229951","20.997","0.003","6.1061","0.0009","9.6195","0.0014","90","","95.637","0.005","90","","1227.3","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C44 H56 N8 O12 S4 -","4","2","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","","0.71073","MoKα","","0.1118","0.099","","","0.2565","0.2685","","","","","","1.11","","","","has coordinates,has disorder","229073","2020-10-21","18:00:00",""
"7230059","15.5556","0.0011","7.0185","0.0005","7.331","0.0005","90","","94.221","0.006","90","","798.21","0.1","294","2","294","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0737","0.0712","","","0.2176","0.2227","","","","","","1.139","","","","has coordinates","205872","2020-10-21","18:00:00",""
"7230144","11.9715","0.0005","12.5059","0.0006","9.371","0.0004","90","","97.453","0.004","90","","1391.12","0.11","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","2","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.1242","0.0552","","","0.0779","0.0969","","","","","","0.971","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230707","27.1771","0.0004","9.16128","0.00015","10.88636","0.00013","90","","98.5848","0.0013","90","","2680.09","0.07","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C32 H23 Cl2 O P -","- C32 H23 Cl2 O P -","- C128 H92 Cl8 O4 P4 -","4","2","","Wang, Leyu; Yu, Tao; Xie, Zongliang; Ubba, Eethamukkala; Zhan, Tianya; Yang, Zhiyong; Zhang, Yi; Chi, Zhenguo","Gated photochromic molecules with AIEgen: turn-on the photochromism with an oxidation reagent","RSC Advances","2018","8","33","18613","","10.1039/C8RA02828A","","","1.54184","CuKα","","0.0391","0.0351","","","0.0974","0.1019","","","","","","1.051","","","","has coordinates","207899","2020-10-21","18:00:00",""
"7230796","17.2685","0.0004","6.2883","0.0002","7.9171","0.0002","90","","97.627","0.003","90","","852.11","0.04","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","sulfanilamide (4-sulfamoyl-phenyl)oxalamic acid salt","4-aminobenzenesulfonamide (4-sulfamoyl-phenyl)oxalamic acid salt","","- C14 H16 N4 O7 S2 -","- C14 H16 N4 O7 S2 -","- C28 H32 N8 O14 S4 -","2","1","","Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna M.","Crystal engineering, optical properties and electron density distribution of polar multicomponent materials containing sulfanilamide","CrystEngComm","2018","20","26","3638","","10.1039/C8CE00568K","","x-ray","0.71073","MoKα","","0.0601","0.0385","","","0.0886","0.0926","","","","","","0.965","","","","has coordinates","228988","2020-10-21","18:00:00",""
"7230821","12.8859","0.0012","5.6317","0.0003","25.025","0.002","90","","92.804","0.008","90","","1813.9","0.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C21 H13 Cl O4 S -","- C21 H13 Cl O4 S -","- C84 H52 Cl4 O16 S4 -","4","2","","Chen, Zhengkai; Liu, Nai-Wei; Bolte, Michael; Ren, Hongjun; Manolikakes, Georg","Visible-light mediated 3-component synthesis of sulfonylated coumarins from sulfur dioxide","Green Chemistry","2018","20","13","3059","","10.1039/C8GC00838H","","","0.71073","MoKα","","0.086","0.0708","","","0.1858","0.1986","","","","","","0.954","","","","has coordinates","230102","2020-10-21","18:00:00",""
"7231179","9.0368","0.0007","11.3777","0.001","7.6503","0.0006","90","","112.279","0.004","90","","727.87","0.1","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H10 N6 Pb S3 -","- C10 H10 N6 Pb S3 -","- C20 H20 N12 Pb2 S6 -","2","1","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","x-ray","0.7107","MoKα","","0.0229","0.0217","","","0.0461","0.0467","","","","","","1.05","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231472","6.2062","0.00005","5.25334","0.00004","11.18373","0.00009","90","","105.503","0.0008","90","","351.359","0.005","90","2","90","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C5 H7 B Cl N O2 -","- C5 H7 B Cl N O2 -","- C10 H14 B2 Cl2 N2 O4 -","2","1","","Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo","Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.","Physical chemistry chemical physics : PCCP","2018","20","37","24192","24200","10.1039/c8cp04401e","","","0.7107","MoKα","","0.0063","0.0063","","","0.0139","0.0139","","","","","","0.989","","","","has coordinates","230903","2020-10-21","18:00:00",""
"7231474","6.2062","0.00005","5.25334","0.00004","11.18373","0.00009","90","","105.503","0.0008","90","","351.359","0.005","90","2","90","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C5 H7 B Cl N O2 -","- C5 H7 B Cl N O2 -","- C10 H14 B2 Cl2 N2 O4 -","2","1","","Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo","Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.","Physical chemistry chemical physics : PCCP","2018","20","37","24192","24200","10.1039/c8cp04401e","","","0.7107","MoKα","","0.0136","0.0135","","","0.0457","0.0459","","","","","","0.45","","","","has coordinates","230903","2020-10-21","18:00:00",""
"7231494","16.4048","0.0013","6.0674","0.0005","8.349","0.0007","90","","91.077","0.007","90","","830.87","0.12","130","1","130","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","","Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata","Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies","RSC Advances","2018","8","54","30994","","10.1039/C8RA03565B","","x-ray","1.54184","CuKα","","0.0367","0.0361","","","0.096","0.0969","","","","","","1.044","","","","has coordinates","210455","2020-10-21","18:00:00",""
"7231596","21.2189","0.0018","8.7496","0.0008","7.2499","0.0007","90","","94.387","0.004","90","","1342.1","0.2","293","","298","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H18 Cl2 Cu N2 -","- C12 H18 Cl2 Cu N2 -","- C48 H72 Cl8 Cu4 N8 -","4","2","","Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier","Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions","CrystEngComm","2018","20","42","6721","","10.1039/C8CE01287C","","","0.7107","MoKα","","0.0929","0.0913","","","0.2411","0.2424","","","","","","1.087","","","","has coordinates","228963","2020-10-21","18:00:00",""
"7231686","13.1669","0.0007","6.3974","0.0004","10.7817","0.0006","90","","90.605","0.001","90","","908.13","0.09","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","sarcosine peroxosolvate","N-methylglycine peroxosolvate","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C18 H54 N6 O24 -","6","3","","Navasardyan, Mger A.; Grishanov, Dmitry A.; Tripol'skaya, Tatiana A.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structures of non-proteinogenic amino acid peroxosolvates: rare example of H-bonded hydrogen peroxide chains","CrystEngComm","2018","20","46","7413","","10.1039/C8CE01486H","","","0.71073","MoKα","","0.0249","0.0243","","","0.0662","0.0669","","","","","","1.047","","","","has coordinates","229026","2020-10-21","18:00:00",""
"7232162","9.6828","0.0002","11.6284","0.0003","11.7511","0.0003","90","","100.038","0.0008","90","","1302.87","0.05","190","2","190","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C32 H28 N2 O3 S -","- C32 H28 N2 O3 S -","- C64 H56 N4 O6 S2 -","2","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium‒pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.05","0.0393","","","0.084","0.0903","","","","","","1.017","","","","has coordinates","213041","2020-10-21","18:00:00",""
"7232312","12.7168","0.0014","6.1962","0.0005","9.641","0.0011","90","","91.74","0.01","90","","759.32","0.14","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C15 H14 Br N2 O3 V -","- C15 H14 Br N2 O3 V -","- C30 H28 Br2 N4 O6 V2 -","2","1","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes","RSC Advances","2019","9","9","4789","","10.1039/C8RA09947B","","","0.71073","MoKα","","0.0693","0.0609","","","0.1345","0.1446","","","","","","1.07","","","","has coordinates","213526","2020-10-21","18:00:00",""
"7232585","5.7237","0.0002","16.2252","0.0007","8.9938","0.0004","90","","97.574","0.002","90","","827.95","0.06","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H15 Br2 N3 O2 -","- C16 H15 Br2 N3 O2 -","- C32 H30 Br4 N6 O4 -","2","1","","Hasegawa, Tsukasa; Ashizawa, Minoru; Kawauchi, Susumu; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi","Fluorination and chlorination effects on quinoxalineimides as an electron-deficient building block for n-channel organic semiconductors","RSC Advances","2019","9","19","10807","","10.1039/C9RA02413A","","","1.54187","CuKα","","0.0766","0.0717","","","0.1801","0.1893","","","","","","1.098","","","","has coordinates","214559","2020-10-21","18:00:00",""
"7232844","12.1578","0.0003","3.7938","0.0001","23.0837","0.0006","90","","95.103","0.002","90","","1060.5","0.05","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpF","4-Fluorobenzene-N-3-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0493","0.0431","","","0.1012","0.1061","","","","","","1.07","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232846","13.2502","0.0003","3.8621","0.0001","22.9979","0.0008","90","","94.861","0.002","90","","1172.65","0.06","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpBr","4-Bromobenzene-N-3-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C48 H36 Br4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0888","0.0499","","","0.0776","0.0902","","","","","","1.029","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232852","12.9792","0.0003","3.8079","0.0001","23.0781","0.0006","90","","95.036","0.002","90","","1136.2","0.05","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpCl","4-Chlorobenzene-N-3-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C48 H36 Cl4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0556","0.0472","","","0.1212","0.1285","","","","","","1.11","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7233761","13.7136","0.0004","13.227","0.0005","15.1795","0.0005","90","","93.415","0.003","90","","2748.52","0.16","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H24 Cu2 N8 O9 -","- C33 H24 Cu2 N8 O9 -","- C66 H48 Cu4 N16 O18 -","2","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0593","0.044","","","0.1121","0.1166","","","","","","0.963","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7234451","12.4319","0.0013","4.7462","0.0005","31.791","0.003","90","","100.259","0.009","90","","1845.8","0.3","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C46 H42 N6 O4 -","- C46 H42 N6 O4 -","- C92 H84 N12 O8 -","2","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.2153","0.064","","","0.1263","0.1782","","","","","","0.969","","","","has coordinates","219153","2020-10-21","18:00:00",""
"7235172","7.1235","0.0002","11.1935","0.0004","11.6744","0.0004","90","","97.716","0.001","90","","922.45","0.05","173.15","","173.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H18 Cl4 Cu N4 O -","- C14 H18 Cl4 Cu N4 O -","- C28 H36 Cl8 Cu2 N8 O2 -","2","1","","Jiang, Chunli; Luo, Qianqian; Fu, Hanmei; Lin, Hechun; Luo, Chunhua; Wang, Jianlu; Meng, Xiangjian; Peng, Hui; Duan, Chun-Gang; Chu, Junhao","Ferroelectricity and antiferromagnetism in organic‒inorganic hybrid (1,4-bis(imidazol-1-ylmethyl)benzene)CuCl4·H2O","CrystEngComm","2020","22","3","587","592","10.1039/C9CE01607D","","","1.54178","CuKα","","0.0269","0.0268","","","0.0677","0.0678","","","","","","1.121","","","","has coordinates","257487","2020-10-21","18:00:00",""
"7235383","16.0332","0.0012","6.8721","0.0004","10.703","0.0007","90","","105.264","0.007","90","","1137.67","0.14","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C H Cl F N -","- C2.25 H1.25 Cl0.5 F0.75 N0.75 -","- C36 H20 Cl8 F12 N12 -","16","8","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.7107","MoKα","","0.0854","0.0688","","","0.2048","0.2299","","","","","","1.586","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235431","9.5189","0.0007","9.4321","0.0007","18.7965","0.0014","90","","101.203","0.004","90","","1655.5","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H50 F N3 O6 -","- C30 H50 F N3 O6 -","- C60 H100 F2 N6 O12 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.056","0.0383","","","0.0919","0.1024","","","","","","1.029","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235946","20.4423","0.0011","5.5758","0.0003","7.635","0.0007","90","","98.621","0.007","90","","860.42","0.1","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","E)-N'-(biphenyl-4-ylmethylene)-2-(4-bromophenyl)acetohydrazide","","- C21 H17 Br N2 O -","- C21 H17 Br N2 O -","- C42 H34 Br2 N4 O2 -","2","1","","Khan, Imtiaz; Ibrar, Aliya; Ejaz, Syeda Abida; Khan, Shafi Ullah; Shah, Syed Jawad Ali; Hameed, Shahid; Simpson, Jim; Lecka, Joanna; Sévigny, Jean; Iqbal, Jamshed","Influence of the diversified structural variations at the imine functionality of 4-bromophenylacetic acid derived hydrazones on alkaline phosphatase inhibition: synthesis and molecular modelling studies","RSC Advances","2015","5","110","90806","","10.1039/C5RA14836G","","","1.54184","CuKα","","0.0914","0.0858","","","0.2443","0.2495","","","","","","1.13","","","","has coordinates","233776","2020-10-21","18:00:00",""
"7236001","27.5828","0.0002","28.8914","0.0002","24.54769","0.00019","90","","103.705","0.0008","90","","19005.2","0.2","293","2","293","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C420 H343 B4 Cu12 F16 N8 O8 P24 -","- C420 H343 B4 Cu12 F16 N8 O8 P24 -","- C840 H686 B8 Cu24 F32 N16 O16 P48 -","2","1","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54184","CuKα","","0.0416","0.0392","","","0.1005","0.1028","","","","","","1.016","","","","has coordinates","233822","2020-10-21","18:00:00",""
"7236020","9.085","0.0006","10.9979","0.0009","14.9786","0.0011","90","","120.245","0.005","90","","1292.88","0.18","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","alotsndipir","TsiPrAlMe2?THF","","- C25 H38 Al N O3 S -","- C25 H38 Al N O3 S -","- C50 H76 Al2 N2 O6 S2 -","2","1","","Tseng, Hsi-Ching; Chen, Fu-Shen; Chiang, Michael Y.; Lu, Wei-Yi; Chen, Yu-Hsieh; Lai, Yi-Chun; Chen, Hsuan-Ying","Optimizing ring-opening polymerization of ε-caprolactone by using aluminum complexes bearing amide as catalysts and their application in synthesizing poly-ε-caprolactone with special initiators and other polycycloesters","RSC Advances","2015","5","110","90682","","10.1039/C5RA21252A","","","0.71073","MoKα","","0.0893","0.0681","","","0.1406","0.1555","","","","","","1.027","","","","has coordinates,has disorder","233843","2020-10-21","18:00:00",""
"7236068","3.5714","0.001","9.496","0.003","12.886","0.004","90","","90.883","0.004","90","","437","0.2","153","2","153","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C3 H6 N10 O2 -","- C3 H6 N10 O2 -","- C6 H12 N20 O4 -","2","1","","Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang","Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = ‒CH3, ‒NH2, ‒N3, ‒NO2 and ‒NHNO2) as high performance energetic materials","Journal of Materials Chemistry A","2015","3","28","14768","","10.1039/C5TA01901J","","","0.71073","MoKα","","0.0286","0.0268","","","0.0548","0.0557","","","","","","1.001","","","","has coordinates","233894","2020-10-21","18:00:00",""
"7236463","7.2537","0.0003","6.7653","0.0003","15.6473","0.0007","90","","97.694","0.004","90","","760.95","0.06","292.14","0.1","292.14","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H12 N2 O3 -","- C20 H12 N2 O3 -","- C40 H24 N4 O6 -","2","1","","Mei, Xiaofei; Wang, Jingwei; Zhou, Zhonggao; Wu, Shiyi; Huang, Limei; Lin, Zhenghuan; Ling, Qidan","Diarylmaleic anhydrides: unusual organic luminescence, multi-stimuli response and photochromism","Journal of Materials Chemistry C","2017","5","8","2135","","10.1039/C6TC05519B","","x-ray","1.54184","CuKα","","0.0608","0.058","","","0.1556","0.1598","","","","","","1.061","","","","has coordinates","235556","2020-10-21","18:00:00",""
"7236505","18.413","0.004","16.514","0.003","14.665","0.003","90","","107.49","0.03","90","","4253.1","1.6","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C90 H72 N18 O7 Zn2 -","- C90 H70 N18 O7 Zn2 -","- C180 H140 N36 O14 Zn4 -","2","1","","Lohar, Somenath; Pal, Siddhartha; Mukherjee, Manjira; Maji, Abhishek; Demitri, Nicola; Chattopadhyay, Pabitra","A turn-on green channel Zn2+ sensor and the resulting zinc(ii) complex as a red channel HPO42− ion sensor: a new approach","RSC Advances","2017","7","41","25528","","10.1039/C7RA02175E","","","0.7","synchrotron","","0.1308","0.1063","","","0.263","0.2804","","","","","","1.122","","","","has coordinates","287929","2023-12-01","12:10:10",""
"7236697","13.1267","0.0004","3.8689","0.0001","12.781","0.0004","90","","93.945","0.001","90","","647.56","0.03","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C17 H12 O4 -","- C17 H12 O4 -","- C34 H24 O8 -","2","1","","Ji, Wei; Li, Lingling; Eniola-Adefeso, Omolola; Wang, Yaming; Liu, Chuntai; Feng, Chuanliang","Non-invasively visualizing cell‒matrix interactions in two-photon excited supramolecular hydrogels","J. Mater. Chem. B","2017","5","38","7790","","10.1039/C7TB02274C","","","1.54178","CuKα","","0.0372","0.0371","","","0.1055","0.1057","","","","","","1.069","","","","has coordinates","236439","2020-10-21","18:00:00",""
"7236719","9.3267","0.0014","14.003","0.002","14.7925","0.0018","90","","120.492","0.007","90","","1664.7","0.4","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C18 H25 N3 -","- C18 H25 N3 -","- C72 H100 N12 -","4","2","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0409","0.0371","","","0.1018","0.1046","","","","","","1.079","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7237712","10.20299","0.00016","15.8241","0.0002","16.8045","0.0003","90","","93.1817","0.0015","90","","2708.96","0.07","223","","223","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C34 H19 F3 N4 S -","- C34 H19 F3 N4 S -","- C136 H76 F12 N16 S4 -","4","2","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0646","0.0633","","","0.1774","0.1793","","","","","","1.095","","","","has coordinates","238548","2020-10-21","18:00:00",""
"7237936","9.117","0.004","8.4","0.003","11.068","0.004","90","","107.736","0.007","90","","807.3","0.5","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H13 Cl2 N O -","- C19 H13 Cl2 N O -","- C38 H26 Cl4 N2 O2 -","2","1","","Tu, Jin; Fan, Yunhao; Wang, Jiaqiang; Li, Xiaoyu; Liu, Fan; Han, Mengmeng; Wang, Can; Li, Qianqian; Li, Zhen","Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties","Journal of Materials Chemistry C","2019","7","39","12256","","10.1039/C9TC03515J","","","0.71073","MoKα","","0.0544","0.0429","","","0.1121","0.1219","","","","","","1.188","","","","has coordinates","238761","2020-10-21","18:00:00",""
"7237937","9.244","0.004","8.389","0.004","11.306","0.005","90","","107.57","0.008","90","","835.9","0.7","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H13 Br2 N O -","- C19 H13 Br2 N O -","- C38 H26 Br4 N2 O2 -","2","1","","Tu, Jin; Fan, Yunhao; Wang, Jiaqiang; Li, Xiaoyu; Liu, Fan; Han, Mengmeng; Wang, Can; Li, Qianqian; Li, Zhen","Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties","Journal of Materials Chemistry C","2019","7","39","12256","","10.1039/C9TC03515J","","","0.71073","MoKα","","0.1002","0.0582","","","0.1391","0.1605","","","","","","0.959","","","","has coordinates,has disorder","238761","2020-10-21","18:00:00",""
"7238537","10.6842","0.0007","7.2837","0.0004","12.8423","0.0007","90","","120.355","0.007","90","","862.39","0.11","291","2","291","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H17 B F2 O4 -","- C19 H17 B F2 O4 -","- C38 H34 B2 F4 O8 -","2","1","","Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing","A mechanistic investigation of mechanochromic luminescent organoboron materials","Journal of Materials Chemistry","2012","22","33","17332","","10.1039/c2jm32809g","","","1.54184","CuKα","","0.0807","0.0727","","","0.1812","0.1899","","","","","","1.009","","","","has coordinates","244222","2020-10-21","18:00:00",""
"7238927","23.955","0.004","7.5099","0.0012","8.5462","0.0014","90","","95.195","0.003","90","","1531.1","0.4","295","","295","","","","","","","","see text","3","P 1 c 1","P -2yc","7","","","","- C21 H16 O -","- C21 H16 O -","- C84 H64 O4 -","4","2","","Shanmugaraju, Sankarasekaran; Jadhav, Harshal; Karthik, Rajendran; Mukherjee, Partha Sarathi","Electron rich supramolecular polymers as fluorescent sensors for nitroaromatics","RSC Advances","2013","3","15","4940","","10.1039/c3ra23269g","","x-ray","0.71073","MoKα","","0.1202","0.0695","","","0.0793","0.0893","","","","","","1.069","","","","has coordinates","244467","2020-10-21","18:00:00",""
"7239508","10.11","0.003","11.484","0.004","15.735","0.005","90","","105.542","0.004","90","","1760.1","1","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C37 H29 Fe2 N7 O9 -","- C37 H29 Fe2 N7 O9 -","- C74 H58 Fe4 N14 O18 -","2","1","","Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu","Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity","Journal of Materials Chemistry A","2013","1","11","3675","","10.1039/c3ta01414b","","","0.71075","MoKα","","0.0874","0.0828","","","0.2583","0.2659","","","","","","1.887","","","","has coordinates","244737","2020-10-21","18:00:00",""
"7240583","4.9726","0.0002","14.6836","0.0005","14.4255","0.0005","90","","98.154","0.004","90","","1042.64","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H17 N5 O4 Se -","- C24 H17 N5 O4 Se -","- C48 H34 N10 O8 Se2 -","2","1","","Fellowes, Thomas; van Koeverden, Martin P.; White, Jonathan","Thermal conversion of a pyridine solvate to a de-solvate facilitated by rearrangement of chalcogen bonds. The solvate and non-solvate structures of N-(2-nitro-4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)phenyl)picolinamide","CrystEngComm","2020","","","","","10.1039/D0CE00662A","","x-ray","1.54184","CuKα","","0.0447","0.0422","","","0.1088","0.1106","","","","","","1.099","","","","has coordinates","252419","2020-10-21","18:00:00",""
"7241487","11.9751","0.001","5.8514","0.0005","8.4304","0.0006","90","","103.293","0.003","90","","574.9","0.08","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H13 N O S -","- C13 H13 N O S -","- C26 H26 N2 O2 S2 -","2","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1215","0.0936","","","0.2256","0.2591","","","","","","1.016","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241634","5.8738","0.0002","9.4468","0.0004","13.2892","0.0005","90","","90.263","0.003","90","","737.39","0.05","293","","293","","","","","","","","Synthetic","4","P 1 c 1","P -2yc","7","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Merchán-Arenas, Diego R.; Sojo, Felipe; Arvelo, Francisco; Kouznetsov, Vladimir V.","Synthesis of dihydroisoindolo[2,1-a]quinolin-11-ones, their in silico ADMET properties and in vitro antitumor activities","RSC Advances","2020","10","69","42287","42296","10.1039/D0RA04555A","","x-ray","1.54184","CuKα","","0.0526","0.0447","","","0.1158","0.123","","","","","","1.068","","","","has coordinates","259350","2020-11-30","05:01:19",""
"7242196","21.182","0.004","16.487","0.003","28.78","0.004","90","","130.213","0.009","90","","7675","2","296","2","296","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C60 H104 Cl0 Cu5 N20 Na O134 P5 W30 -","- C60 H52 Cu5 N20 Na O134 P5 W30 -","- C120 H104 Cu10 N40 Na2 O268 P10 W60 -","2","1","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0654","0.0552","","","0.1295","0.1353","","","","","","1.013","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242375","8.7813","0.0011","15.1028","0.0018","11.4147","0.0014","90","","99.628","0.004","90","","1492.5","0.3","273","2","273","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C27 H28 N8 O4 Zn2 -","- C27 H28 N8 O4 Zn2 -","- C54 H56 N16 O8 Zn4 -","2","1","","Basak, Tanmoy; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes","CrystEngComm","2021","23","14","2703","2710","10.1039/D1CE00214G","","","0.71073","MoKα","","0.0725","0.0553","","","0.1337","0.147","","","","","","1.06","","","","has coordinates","265976","2021-06-05","18:15:49",""
"7242539","13.6767","0.0005","8.6874","0.0003","11.331","0.0004","90","","107.084","0.001","90","","1286.89","0.08","116","2","116.06","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C32 H22 F6 O2 -","- C32 H22 F6 O2 -","- C64 H44 F12 O4 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0559","0.0542","","","0.1156","0.1162","","","","","","1.271","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242589","8.4593","0.0005","5.8691","0.0004","30.718","0.002","90","","97.42","0.002","90","","1512.33","0.17","305","2","305","2","","","","","","","","4","P 1 c 1","P -2yc","7","ORGANIC","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","2","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.0661","0.0511","","","0.1309","0.143","","","","","","1.043","","","","has coordinates","263545","2021-04-02","04:26:38",""
"7242719","13.9641","0.0006","13.0136","0.0005","11.2102","0.0005","90","","101.341","0.001","90","","1997.38","0.15","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C88 H92 N12 O16 -","4","2","","Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.","Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies","CrystEngComm","2021","23","22","3961","3974","10.1039/D1CE00032B","","","0.71073","MoKα","","0.0536","0.0511","","","0.134","0.1363","","","","","","1.064","","","","has coordinates","267118","2021-07-05","17:09:09",""
"7243102","6.686","0.005","8.082","0.006","10.485","0.008","90","","97.192","0.018","90","","562.1","0.7","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C2 H10 B5 Ga N2 O10 -","- C2 H10 B5 Ga N2 O10 -","- C4 H20 B10 Ga2 N4 O20 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.0677","0.0554","","","0.1212","0.1299","","","","","","1.054","","","","has coordinates","268664","2021-09-06","10:27:31",""
"7243191","12.883","0.0007","8.8827","0.0004","9.6095","0.0005","90","","110.352","0.008","90","","1031.02","0.1","143","2","143","2","","","","","","","","5","P 1 c 1","P -2yc","7","","[(E)-2-(1-hexyl-1H-1,2,3-triazol-4-yl)-5-(phenyldiazenyl)pyridine]palladium dichloride","","- C19 H22 Cl2 N6 Pd -","- C19 H22 Cl2 N6 Pd -","- C38 H44 Cl4 N12 Pd2 -","2","1","","Kunfi, Attila; Jablonkai, István; Gazdag, Tamás; Mayer, Péter J.; Kalapos, Péter Pál; Németh, Krisztina; Holczbauer, Tamás; London, Gábor","A photoresponsive palladium complex of an azopyridyl-triazole ligand: light-controlled solubility drives catalytic activity in the Suzuki coupling reaction","RSC Advances","2021","11","38","23419","23429","10.1039/D1RA03838A","","","0.71075","MoKα","","0.0184","0.0183","","","0.0374","0.0375","","","","","","1.11","","","","has coordinates","267455","2021-07-10","04:01:20",""
"7243196","3.6879","0.0008","11.923","0.002","9.13","0.0018","90","","97.392","0.019","90","","398.12","0.14","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C8 H5 Cl3 O -","- C8 H5 Cl3 O -","- C16 H10 Cl6 O2 -","2","1","","Kusumoto, Sotaro; Sugimoto, Akira; Kosumi, Daisuke; Kim, Yang; Sekine, Yoshihiro; Nakamura, Masaaki; Hayami, Shinya","A plastically bendable and polar organic crystal","CrystEngComm","2021","23","33","5560","5563","10.1039/D1CE00724F","","x-ray","0.71073","MoKα","","0.0427","0.0414","","","0.1016","0.1022","","","","","","1.044","","","","has coordinates","268655","2021-09-06","10:25:45",""
"7243363","9.3037","0.0019","10.863","0.002","13.007","0.003","90","","96.316","0.006","90","","1306.6","0.5","153","2","153","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- B12 Cs5 H8 Li O25 -","- B12 Cs5 H6.5 Li O25 -","- B24 Cs10 H13 Li2 O50 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.0742","0.0666","","","0.1496","0.1548","","","","","","1.005","","","","has coordinates","269669","2021-10-06","14:48:18",""
"7243674","15.4711","0.0018","7.0655","0.0006","13.0349","0.0012","90","","104.993","0.011","90","","1376.4","0.2","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C29 H29 Cl N6 O5 S -","- C29 H29 Cl N6 O5 S -","- C58 H58 Cl2 N12 O10 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.1","0.0689","","","0.1092","0.1229","","","","","","1.017","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243700","19.5971","0.0008","10.3078","0.0002","19.7804","0.0008","90","","117.086","0.005","90","","3557.5","0.3","108","","108","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C64 H40 F24 O16 Te4 -","- C64 H40 F24 O16 Te4 -","- C128 H80 F48 O32 Te8 -","2","1","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0407","0.0333","","","0.0964","0.1201","","","","","","1.068","","","","has coordinates","269815","2021-10-07","01:34:35",""
"7244056","8.409","0.002","16.64","0.001","11.274","0.001","90","","101.37","0.02","90","","1546.6","0.4","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","Sulfathiazole, diethylmalonate solvate","Sulfathiazole, diethylmalonate (2:1) solvate","","- C25 H30 N6 O8 S4 -","- C25 H30 N6 O8 S4 -","- C50 H60 N12 O16 S8 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0406","0.0396","","","0.1131","0.1141","","","","","","1.055","","","","has coordinates","272632","2022-02-04","19:25:18",""
"7244423","9.3222","0.0003","13.9997","0.0005","13.3672","0.0005","90","","99.663","0.004","90","","1719.78","0.11","120","","120","","","","","","","","","4","P 1 c 1","P -2yc","7","1SCB","","","- C14 H11 N S -","- C14 H11 N S -","- C84 H66 N6 S6 -","6","3","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","x-ray","0.71073","MoKα","","0.0547","0.0439","","","0.1201","0.1276","","","","","","0.916","","","","has coordinates","274971","2022-05-05","20:30:05",""
"7244459","11.8427","0.001","16.4538","0.001","9.059","0.0008","90","","92.905","0.007","90","","1762.9","0.2","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","poly[[tetrakis[2-(1,2,4-triazol-4-yl)acetato)]-bis(Nitrato)]-aqua- tetrasilver(I)] aquadioxouranium(VI) Trihydrate]","","- C16 H26 Ag4 N14 O21 U -","- C16 H26 Ag4 N14 O21 U -","- C32 H52 Ag8 N28 O42 U2 -","2","1","","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.","1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers","CrystEngComm","2022","","","","","10.1039/D1CE01549D","","","0.71073","MoKα","","0.0291","0.0258","","","0.0658","0.0668","","","","","","0.988","","","","has coordinates","273073","2022-02-21","23:35:29",""
"7245227","9.7182","0.0003","8.0639","0.0002","11.5611","0.0003","90","","107.391","0.0009","90","","864.59","0.04","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H13 I2 N O -","- C18.9994 H12.9994 I2.0001 N O0.9994 -","- C37.9988 H25.9988 I4.0002 N2 O1.9988 -","2","1","","Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S.","Structure–property investigations in urea tethered iodinated triphenylamines","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01856J","","x-ray","0.71073","MoKα","","0.0296","0.0275","","","0.0644","0.0662","","","","","","1.16","","","","has coordinates,has disorder","276993","2022-07-29","00:51:25",""
"7245393","6.9187","0.001","12.6378","0.0019","14.994","0.002","90","","96.541","0.005","90","","1302.5","0.3","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","2","","Meng, Haifang; Xu, Huiying; Zhou, Zhi; Tang, Zhenhao; Li, Yidi; Zhou, Yu; Yi, Wei; Wu, Xiaowei","Recyclable rhodium-catalyzed C–H activation/[4 + 2] annulation with unconventional regioselectivity at ambient temperature: experimental development and mechanistic insight","Green Chemistry","2022","24","18","7012","7021","10.1039/D2GC02347D","","","0.71073","MoKα","","0.1481","0.0692","","","0.1402","0.1807","","","","","","1.008","","","","has coordinates","278434","2022-10-07","00:57:33",""
"7245538","12.5952","0.0001","7.8714","0.0001","26.3715","0.0002","90","","97.166","0.001","90","","2594.1","0.04","170","2","170.02","0.14","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C45 H18 F24 I5 N3 -","- C45 H18 F24 I5 N3 -","- C90 H36 F48 I10 N6 -","2","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0411","0.0408","","","0.1034","0.1039","","","","","","1.019","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245548","11.8352","0.0012","14.4349","0.0012","6.7368","0.0008","90","","105.77","0.012","90","","1107.6","0.2","113.15","","123.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","Metamitron-Naringenin","","- C25 H22 N4 O6 -","- C25 H22 N4 O6 -","- C50 H44 N8 O12 -","2","1","","Xiao, Yuntian; Wu, Chuanhua; Zhou, Ling; Yin, Qiuxiang; Yang, Jingxiang","Cocrystal engineering strategy for sustained release and leaching reduction of herbicides: a case study of metamitron","Green Chemistry","2022","24","20","8088","8099","10.1039/D2GC02949A","","x-ray","0.71073","MoKα","","0.0851","0.0574","","","0.1285","0.1459","","","","","","1.046","","","","has coordinates","278986","2022-11-07","05:25:56",""
"7245683","9.4234","0.0003","14.1143","0.0004","13.3244","0.0004","90","","99.951","0.003","90","","1745.55","0.09","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","1SeCB","","","- C14 H11 N Se -","- C14 H11 N Se -","- C84 H66 N6 Se6 -","6","3","","Arakawa, Yuki; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","4′-Alkylseleno-4-cyanobiphenyls, nSeCB: synthesis and substituent effects on the phase-transition and liquid crystalline behaviors","CrystEngComm","2022","","","","","10.1039/D2CE00551D","","x-ray","0.71073","MoKα","","0.0229","0.0214","","","0.0465","0.0469","","","","","","1.026","","","","has coordinates","278596","2022-10-14","22:42:54",""
"7245838","10.3077","0.0001","30.5567","0.0003","13.49162","0.00013","90","","99.2974","0.001","90","","4193.62","0.07","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C72 H72 Br12 Ga4 N12 -","- C72 H72 Br12 Ga4 N12 -","- C144 H144 Br24 Ga8 N24 -","2","1","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0552","0.0484","","","0.1203","0.1232","","","","","","1.078","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7245897","4.0966","0.0008","12.015","0.002","7.3348","0.0015","90","","100.207","0.006","90","","355.31","0.12","170","","170","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C4 H5 N5 O4 -","- C4 H5 N5 O4 -","- C8 H10 N10 O8 -","2","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.1031","0.0509","","","0.0957","0.1209","","","","","","1.039","","","","has coordinates","279486","2022-11-23","02:23:13",""
"7246064","3.812","0.003","8.905","0.004","10.498","0.005","90","","95.02","0.04","90","","355","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","5-nitrobenzo[<i>c</i>][1,2,5]thiadiazole","","- C6 H3 N3 O2 S -","- C6 H3 N3 O2 S -","- C12 H6 N6 O4 S2 -","2","1","","Gentile, Francesco Silvio; Parisi, Emmanuele; Centore, Roberto","Journeys in crystal energy landscapes: actual and virtual structures in polymorphic 5-nitrobenzo[c][1,2,5]thiadiazole","CrystEngComm","2023","25","5","859","865","10.1039/D2CE01619B","","x-ray","0.71073","MoKα","","0.0717","0.0478","","","0.1085","0.1229","","","","","","1.044","","","","has coordinates","281421","2023-03-04","18:11:36",""
"7246164","7.0706","0.0015","18.748","0.004","12.612","0.003","90","","105.578","0.005","90","","1610.4","0.6","100","2","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H24 N O -","- C20 H24 N O -","- C80 H96 N4 O4 -","4","2","","Ajaz, Aliya; Shaheen, Muhammad Ashraf; Ahmed, Maqsood; Munawar, Khurram Shahzad; Siddique, Abu Bakar; Karim, Abdul; Ahmad, Nazir; Rehman, Muhammad Fayyaz ur","Synthesis of an amantadine-based novel Schiff base and its transition metal complexes as potential ALP, α-amylase, and α-glucosidase inhibitors","RSC Advances","2023","13","5","2756","2767","10.1039/D2RA07051K","","x-ray","0.71073","MoKα","","0.2849","0.1437","","","0.3506","0.4384","","","","","","1.258","","","","has coordinates","280429","2023-01-19","02:06:14",""
"7246432","18.8216","0.0002","9.2134","0.0002","12.654","0.0004","90","","99.552","0.007","90","","2163.92","0.1","200","2","200","2","","","","","","","","6","P 1 c 1","P -2yc","7","","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulfonate","","- C23 H22 Cl N O4 S -","- C23 H22 Cl N O4 S -","- C92 H88 Cl4 N4 O16 S4 -","4","2","","Arul, Anand; Ramaclus, Jerald Vijay","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulphonate (MBMPCBS) – an efficient nonlinear optical crystal with superior thermal stability","CrystEngComm","2023","25","17","2534","2545","10.1039/D3CE00090G","","","0.71073","MoKα","","0.0726","0.0583","","","0.1462","0.1582","","","","","","1.043","","","","has coordinates,has disorder","283200","2023-05-05","01:19:20",""
"7246690","7.6215","0.0004","3.675","0.0002","13.2829","0.0007","90","","104.936","0.002","90","","359.47","0.03","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2,4-difluoro-6-nitrobenzene-1,3-diamine","","- C6 H5 F2 N3 O2 -","- C6 H5 F2 N3 O2 -","- C12 H10 F4 N6 O4 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0282","0.0257","","","0.0765","0.0792","","","","","","1.035","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246917","7.9325","0.0003","7.8534","0.0004","15.8599","0.0008","90","","99.753","0.002","90","","973.75","0.08","193","","193","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H12 N4 O -","- C26 H12 N4 O -","- C52 H24 N8 O2 -","2","1","","Wang, Shuai; Xiang, Wenxin; Pan, Chen; Chen, Jinqiu; Li, Wenju; Zhang, Jing; Zhao, Jianfeng; Liu, Guangfeng","Changes in piezochromic luminescence of a charge transfer complex subjected to grinding and isotropic compression","CrystEngComm","2023","25","27","3861","3865","10.1039/D3CE00447C","","","0.71073","MoKα","","0.0853","0.074","","","0.2023","0.2152","","","","","","1.07","","","","has coordinates","286098","2023-09-05","19:37:35",""
"7247248","8.2596","0.0007","11.1219","0.0009","11.4922","0.0009","90","","110.896","0.003","90","","986.27","0.14","100","2","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H9 N3 O S -","- C10 H9 N3 O S -","- C40 H36 N12 O4 S4 -","4","2","","Maity, Rajib; Bankura, Abhijit; Das, Indrajit","Electrochemical cascade sequences for remote C7–H bond thiocyanation of quinoxalin-2(1H)-ones with ammonium thiocyanate","Green Chemistry","2023","25","19","7774","7781","10.1039/D3GC02153J","","x-ray","1.54178","CuKα","","0.0422","0.0408","","","0.1058","0.1073","","","","","","1.074","","","","has coordinates","286751","2023-10-06","00:18:56",""
"7247435","8.7498","0.0003","25.9051","0.0008","8.5927","0.0003","90","","90.761","0.002","90","","1947.49","0.11","130","2","130","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C42 H31 B2 Co F8 N9 -","- C42 H31 B2 Co F8 N9 -","- C84 H62 B4 Co2 F16 N18 -","2","1","","Zhang, Guoqi; Zeng, Haisu; Zadori, Nora; Marino, Camila; Zheng, Shengping; Neary, Michelle C.","Homoleptic octahedral CoII complexes as precatalysts for regioselective hydroboration of alkenes with high turnover frequencies","RSC Advances","2023","13","40","28089","28096","10.1039/D3RA06113B","","","1.54178","CuKα","","0.0613","0.0553","","","0.1335","0.1373","","","","","","1.073","","","","has coordinates,has disorder","286484","2023-09-23","01:08:53",""
"7247581","4.4714","0.0001","9.3275","0.0002","17.7797","0.0005","90","","90.109","0.002","90","","741.54","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H15 N O7 S -","- C15 H15 N O7 S -","- C30 H30 N2 O14 S2 -","2","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0265","0.026","","","0.0708","0.0711","","","","","","1.073","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247667","45.6447","0.0014","8.1335","0.0003","9.3171","0.0003","90","","92.133","0.003","90","","3456.6","0.2","100","","298","","","","","","","","","4","P 1 c 1","P -2yc","7","","Tin(IV) hexadecanethiolate","","- C64 H132 S4 Sn -","- C64 H132 S4 Sn -","- C128 H264 S8 Sn2 -","2","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","x-ray","0.71073","MoKα","","0.0846","0.0809","","","0.2176","0.2241","","","","","","1.112","","","","has coordinates","287254","2023-11-04","13:21:22",""
"7247883","8.95427","0.00016","13.54255","0.00018","9.03971","0.00016","90","","113.787","0.002","90","","1003.07","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C23 H26 I N O2 -","- C23 H26 I N O2 -","- C46 H52 I2 N2 O4 -","2","1","","Muskan,; Verma, Akhilesh K.","An environmentally benign and atom-economical protocol for the regioselective synthesis of isoquinolones from o-alkynylaldehydes","Green Chemistry","2024","26","3","1297","1301","10.1039/D3GC04096H","","x-ray","0.71073","MoKα","","0.0217","0.0207","","","0.044","0.0449","","","","","","1.031","","","","has coordinates","290221","2024-03-04","20:32:23",""
"7248046","6.5731","0.0015","16.213","0.004","13.002","0.003","90","","91.784","0.007","90","","1384.9","0.6","301","","301","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C7 H18 Cl4 Co N2 O -","- C7 H18 Cl4 Co N2 O -","- C28 H72 Cl16 Co4 N8 O4 -","4","2","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0644","0.0559","","","0.1432","0.15","","","","","","1.042","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248047","6.4979","0.0004","16.0144","0.001","12.9534","0.0008","90","","91.907","0.002","90","","1347.18","0.14","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C7 H18 Cl4 Co N2 O -","- C7 H18 Cl4 Co N2 O -","- C28 H72 Cl16 Co4 N8 O4 -","4","2","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0296","0.0286","","","0.0645","0.065","","","","","","1.062","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7700299","3.8166","0.0006","12.7293","0.0014","12.1037","0.0008","90","","94.088","0.01","90","","586.53","0.12","298","2","298.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H4 Au F5 N2 -","- C12 H4 Au F5 N2 -","- C24 H8 Au2 F10 N4 -","2","1","","Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N; Espinet, Pablo","4-Pyridylisocyanide gold(i) and gold(i)-plus-silver(i) luminescent and mechanochromic materials: the silver role.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10412","10416","10.1039/c9dt01618j","","","0.71073","MoKα","","0.0894","0.0697","","","0.1693","0.1843","","","","","","1.045","","","","has coordinates","223776","2020-10-21","18:00:00",""
"7701727","50.7613","0.0008","11.4855","0.0002","20.6642","0.0003","90","","90.0435","0.0013","90","","12047.6","0.3","100.01","0.1","100.15","","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C73.3 H56.25 Cu I Ir N4 O0.825 P -","- C72 H53 Cu I Ir N4 O0.5 P -","- C576 H424 Cu8 I8 Ir8 N32 O4 P8 -","8","4","","So, Shiu-Chun; Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iridium porphyrin complexes with μ-nitrido, hydroxo, hydrosulfido and alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8340","8349","10.1039/c9dt00244h","","x-ray","0.71073","MoKα","","0.0923","0.0755","","","0.1747","0.1876","","","","","","1.041","","","","has coordinates,has disorder","223345","2020-10-21","18:00:00",""
"7701909","17.634","0.004","16.955","0.003","18.481","0.004","90","","108.71","0.03","90","","5234","2","173","2","173","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C70 H99 Br3 Mo12 N5 O58 P -","- C70 H99 Br3 Mo12 N5 O58 P -","- C140 H198 Br6 Mo24 N10 O116 P2 -","2","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0791","0.0749","","","0.1859","0.1909","","","","","","1.033","","","","has coordinates,has disorder","227808","2020-10-21","18:00:00",""
"7702280","11.171","0.0013","15.5751","0.0019","26.121","0.003","90","","102.316","0.007","90","","4440.2","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C93 H132 Mg4 N4 O8 -","- C93 H132 Mg4 N4 O8 -","- C186 H264 Mg8 N8 O16 -","2","1","","Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","375","387","10.1039/c9dt04359d","","","0.71073","MoKα","","0.1564","0.0817","","","0.1634","0.1992","","","","","","1.027","","","","has coordinates","247727","2020-10-21","18:00:00",""
"7702333","8.9808","0.0006","15.0009","0.001","8.4219","0.0006","90","","92.288","0.006","90","","1133.69","0.13","300","2","300","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C18 H15 Ag2 Cu N6 S3 -","- C18 H15 Ag2 Cu N6 S3 -","- C36 H30 Ag4 Cu2 N12 S6 -","2","1","","Krautscheid, Harald; Emig, Norbert; Klaassen, Nicole; Seringer, Petra","Thiocyanato complexes of the coinage metals: synthesis and crystal structures of the polymeric pyridine complexes [Ag xCuy(SCN)x + y(py)z]","Journal of the Chemical Society, Dalton Transactions","1998","","18","3071","","10.1039/a803468k","","","0.71073","MoKa","","0.0548","0.0356","","0.1082","0.0861","","","","1.152","1.055","1.055","","","","","has coordinates","243827","2020-10-21","18:00:00",""
"7703557","10.3883","0.001","19.6463","0.0019","14.7966","0.0014","90","","95.526","0.002","90","","3005.8","0.5","173","2","173","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C28 H31 Br Cl F6 N2 P Ru S -","- C28 H31 Br Cl F6 N2 P Ru S -","- C112 H124 Br4 Cl4 F24 N8 P4 Ru4 S4 -","4","2","","Chen, Weiguang; Egly, Julien; Poblador-Bahamonde, Amalia I; Maisse-Francois, Aline; Bellemin-Laponnaz, Stéphane; Achard, Thierry","Synthesis, characterization, catalytic and biological application of half-sandwich ruthenium complexes bearing hemilabile (κ2-C,S)-thioether-functionalised NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3243","3252","10.1039/c9dt04825a","","","0.71073","MoKα","","0.1122","0.0734","","","0.1693","0.1906","","","","","","1.013","","","","has coordinates","250272","2020-10-21","18:00:00",""
"7703765","17.6162","0.0005","9.1037","0.0002","10.3973","0.0003","90","","105.338","0.003","90","","1608.05","0.08","130","2","130","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C38 H34 N2 O6 Zn -","- C38 H34 N2 O6 Zn -","- C76 H68 N4 O12 Zn2 -","2","1","","Aleksovska, Angela; Lönnecke, Peter; Hey-Hawkins, Evamarie","Zn- and Cd-based coordination polymers with a novel anthracene dicarboxylate ligand for highly selective detection of hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4817","4823","10.1039/d0dt00333f","","","0.71073","MoKα","","0.0577","0.0457","","","0.1043","0.1116","","","","","","1.059","","","","has coordinates","251650","2020-10-21","18:00:00",""
"7704063","21.1476","0.0014","8.1712","0.0005","17.1899","0.0011","90","","100.901","0.002","90","","2916.8","0.3","296.15","","296.15","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C26 H39 F3 Ir N O5 S2 -","- C26 H39 F3 Ir N O5 S2 -","- C104 H156 F12 Ir4 N4 O20 S8 -","4","2","","Guzmán Santiago, Alexis J; Brown, Caleb A.; Sommer, Roger D.; Ison, Elon A.","Identification of key functionalization species in the Cp*Ir(III)-catalyzed-<i>ortho</i> halogenation of benzamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16166","16174","10.1039/d0dt00565g","","","0.71073","MoKα","","0.028","0.0272","","","0.0597","0.0601","","","","","","1.08","","","","has coordinates,has disorder","260783","2021-01-07","06:30:01",""
"7704593","12.4892","0.0005","9.01","0.0003","17.9682","0.0008","90","","105.056","0.004","90","","1952.51","0.14","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C44 H31 F9 N5 P Ru -","- C44 H31 F9 N5 P Ru -","- C88 H62 F18 N10 P2 Ru2 -","2","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.0579","0.0468","","","0.1142","0.122","","","","","","1.075","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7706591","6.1891","0.0012","11.953","0.002","7.422","0.003","90","","119.46","0.02","90","","478.1","0.2","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C2 H9 Ag2 N2 S3 Sb -","- C2 H9 Ag2 N2 S3 Sb -","- C4 H18 Ag4 N4 S6 Sb2 -","2","1","","Yang, Gang; Jiang, Xingxing; Wu, Chao; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Facile syntheses of silver thioantimonates exhibiting second-harmonic generation responses and large birefringence.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3568","3576","10.1039/d0dt04043f","","","0.71073","MoKα","","0.0605","0.0392","","","0.0552","0.0591","","","","","","1.086","","","","has coordinates","263748","2021-04-05","14:45:17",""
"7706605","7.4154","0.0002","12.5669","0.0002","13.4796","0.0002","90","","95.107","0.002","90","","1251.16","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H24 N2 O S -","- C33 H24 N2 O S -","- C66 H48 N4 O2 S2 -","2","1","","Zheng, Han-Wen; Kang, Yang; Wu, Min; Liang, Qiong-Fang; Zheng, Jian-Quan; Zheng, Xiang-Jun; Jin, Lin-Pei","ESIPT-AIE active Schiff base based on 2-(2'-hydroxyphenyl)benzo-thiazole applied as multi-functional fluorescent chemosensors.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3916","3922","10.1039/d1dt00241d","","x-ray","1.54184","CuKα","","0.0289","0.0281","","","0.0718","0.0726","","","","","","1.054","","","","has coordinates","263771","2021-04-05","14:52:58",""
"7707134","8.0914","0.0001","7.8966","0.0002","26.1412","0.0005","90","","98.602","0.001","90","","1651.49","0.06","173","","173","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C26 H26 N4 O14 Re2 S2 -","- C26 H26 N4 O14 Re2 S2 -","- C52 H52 N8 O28 Re4 S4 -","2","1","","Capper, Miles S.; Enriquez Garcia, Alejandra; Lai, Barry; Wang, Baiwen O.; Gelfand, Benjamin S.; Shemanko, Carrie S.; Jalilehvand, Farideh","The effect of sodium thiosulfate on cytotoxicity of a diimine Re(I) tricarbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5968","5977","10.1039/d1dt00517k","","","1.54178","CuKα","","0.0286","0.0278","","","0.0715","0.0719","","","","","","1.077","","","","has coordinates","266006","2021-06-05","18:32:04",""
"7707395","8.4561","0.0008","13.7954","0.0014","10.188","0.0011","90","","90.872","0.003","90","","1188.3","0.2","273","2","273.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C8 H30 N2 O16 P4 Zn2 -","- C8 H30 N2 O16 P4 Zn2 -","- C16 H60 N4 O32 P8 Zn4 -","2","1","","Yu, Jing-Wei; Yu, Hai-Jiao; Ren, Qiu; Zhang, Jin; Zou, Yang; Luo, Hong-Bin; Wang, Lifeng; Ren, Xiao-Ming","Humidity-sensitive irreversible phase transformation of open-framework zinc phosphate and its water-assisted high proton conduction properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8070","8075","10.1039/d1dt00296a","","","0.71073","MoKα","","0.0478","0.0468","","","0.1199","0.1206","","","","","","1.057","","","","has coordinates","267193","2021-07-05","17:43:54",""
"7708157","11.369","0.006","8.613","0.005","12.615","0.007","90","","115.248","0.008","90","","1117.3","1.1","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H29 Cl2 Ir N2 O -","- C22 H29 Cl2 Ir N2 O -","- C44 H58 Cl4 Ir2 N4 O2 -","2","1","","Davies, David L.; Singh, Kuldip; Tamosiunaite, Neringa","Steric Effects on Acetate-Assisted Cyclometallation of meta-substituted N-phenyl and N-benzyl imidazolium salts at [MCl2Cp*]2 (M = Ir, Rh).","Dalton Transactions","2021","","","","","10.1039/D1DT02677A","","","0.71073","MoKα","","0.0407","0.0384","","","0.0872","0.0881","","","","","","1.028","","","","has coordinates","268336","2021-08-31","23:01:52",""
"7708550","12.231","0.003","8.1876","0.0011","21.11","0.004","90","","96.09","0.02","90","","2102.1","0.7","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C33 H30.8 Co3 N16 O4.4 S -","- C33 H30.8 Co3 N16 O4.4 S -","- C66 H61.6 Co6 N32 O8.8 S2 -","2","1","","Jiménez, Juan-Ramón; Xu, Buqin; El Said, Hasnaa; Li, Yanling; von Bardeleben, Jurgen; Chamoreau, Lise-Marie; Lescouezec, Rodrigue; Shova, Sergiu; Visinescu, Diana; Alexandru, Maria-Gabriela; Cano, Joan; Julve, Miguel","Field-induced Single Ion Magnet behaviour in discrete and one-dimensional complexes containing the bis(1-methylimidazol-2-yl)ketone]-containing cobalt(II) building units","Dalton Transactions","2021","","","","","10.1039/D1DT02441H","","x-ray","0.71073","MoKα","","0.1665","0.0869","","","0.1326","0.1638","","","","","","1.012","","","","has coordinates,has disorder","269926","2021-10-13","23:13:15",""
"7709041","6.70661","0.00009","9.44049","0.00014","17.0698","0.0002","90","","92.4339","0.0012","90","","1079.78","0.03","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H16 Ce2 N2 O18 -","- C16 H16 Ce2 N2 O18 -","- C32 H32 Ce4 N4 O36 -","2","1","","Fonseca de Lima, Juliana; Moreno, Fernanda V. S.; Menezes, Bruno A. T.; da Silva Barbosa, Jader; Waddington, Matthew C.; Franklin, Siân A; Clarkson, Guy J.; Walker, Marc; Serra, Osvaldo A.; Walton, Richard I.","Investigation of the preparation and reactivity of metal-organic frameworks of cerium and pyridine-2,4,6-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","145","155","10.1039/d1dt03514b","","x-ray","0.71073","MoKα","","0.0228","0.0211","","","0.0427","0.0437","","","","","","1.043","","","","has coordinates","272651","2022-02-04","19:31:53",""
"7709663","10.2657","0.0006","9.5652","0.0005","16.3406","0.0011","90","","104.332","0.007","90","","1554.6","0.17","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C37 H28 N4 P2 -","- C37 H28 N4 P2 -","- C74 H56 N8 P4 -","2","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0696","0.0583","","","0.1356","0.1441","","","","","","1.036","","","","has coordinates","273465","2022-03-05","23:54:36",""
"7710632","7.005","0.0002","7.043","0.0002","7.2915","0.0002","90","","107.787","0.001","90","","342.539","0.017","297","2","297","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- H4 N2 O6 S2 Sr -","- H4 N2 O6 S2 Sr -","- H8 N4 O12 S4 Sr2 -","2","1","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.0512","0.0394","","","0.1042","0.1098","","","","","","1.085","","","","has coordinates,has disorder","276372","2022-06-28","22:53:29",""
"7711514","9.332","0.003","10.61","0.003","17.742","0.005","90","","95.085","0.005","90","","1749.8","0.9","93","2","93","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C36 H56 Li2 O5 Si -","- C36 H56 Li2 O5 Si -","- C72 H112 Li4 O10 Si2 -","2","1","","Ito, Shotaro; Ishii, Youichi; Kuwabara, Takuya","Inorganic salt-assisted assembly of anionic π-conjugated rings enabling 7Li NMR-based evaluation of antiaromaticity","Dalton Transactions","2022","","","","","10.1039/D2DT02649J","","","0.71075","MoKα","","0.0638","0.0515","","","0.118","0.128","","","","","","1.038","","","","has coordinates","278632","2022-10-18","22:55:29",""
"7711891","14.85184","0.00019","8.23727","0.00011","19.394","0.0002","90","","96.9574","0.0012","90","","2355.16","0.05","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C54 H31 B F20 W1.02 Zr2.04 -","- C54 H31 B F20 W1.0181 Zr2.0362 -","- C108 H62 B2 F40 W2.0362 Zr4.0724 -","2","1","","Fernando, Selwin; Landrini, Martina; Macchioni, Alceo; Hughes, David L.; Budzelaar, Peter H. M.; Rocchigiani, Luca","Tweaking the bridge in metallocene Zr(IV)/W(IV) bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","394","408","10.1039/d2dt03833a","","x-ray","0.71075","MoKα","","0.0186","0.0181","","","0.0432","0.0434","","","","","","1.042","","","","has coordinates,has disorder","283285","2023-05-05","02:05:34",""
"7711937","20.5518","0.0011","10.3023","0.0005","10.8188","0.0007","90","","97.918","0.003","90","","2268.8","0.2","100","","100","","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C21 H32 Br0.7 Cl0.3 N2 Ni O2 P -","- C21 H32 Br0.7 Cl0.3 N2 Ni O2 P -","- C84 H128 Br2.8 Cl1.2 N8 Ni4 O8 P4 -","4","2","","Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit","Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","366","375","10.1039/d2dt02979k","","","1.54178","CuKα","","0.0538","0.0516","","","0.1452","0.1484","","","","","","1.047","","","","has coordinates,has disorder","283290","2023-05-05","02:10:03",""
"7712570","14.9333","0.0005","11.3306","0.0002","9.2074","0.0003","90","","106.894","0.002","90","","1490.69","0.08","200","2","200","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H10 Br N2 O3 Re -","- C14 H10 Br N2 O3 Re -","- C56 H40 Br4 N8 O12 Re4 -","4","2","","Nasiri Sovari, Sara; Kolly, Isabelle; Schindler, Kevin; Djurić, Ana; Srdić-Rajić, Tatjana; Crochet, Aurelien; Pavic, Aleksandar; Zobi, Fabio","Synthesis, characterization, and in vivo evaluation of the anticancer activity of a series of 5- and 6-(halomethyl)-2,2'-bipyridine rhenium tricarbonyl complexes.","Dalton Transactions","2023","","","","","10.1039/D2DT04041G","","x-ray","1.54186","CuKα","","0.042","0.0418","","","0.1204","0.1207","","","","","","1.075","","","","has coordinates","281786","2023-03-09","23:56:12",""
"7712768","41.827","0.003","4.6881","0.0003","9.2475","0.0005","90","","90.714","0.004","90","","1813.2","0.2","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C36 H66 O4 Zn -","- C36 H66 O4 Zn -","- C72 H132 O8 Zn2 -","2","1","","Wagner, Molly; Pigliapochi, Roberta; DI TULLIO, VALERIA; Catalano, Jaclyn; Zumbulyadis, Nicholas; Centeno, Silvia; Wang, Xiaoling; Chen, Kuizhi; Hung, Ivan; Gan, Zhehong; Dworzak, Michael; Yap, Glenn P. A.; Dybowski, Cecil","Multi-Technique Structural Analysis of Zinc Carboxylates (Soaps)","Dalton Transactions","2023","","","","","10.1039/D3DT00184A","","","1.54178","CuKα","","0.0811","0.0761","","","0.1977","0.2016","","","","","","1.044","","","","has coordinates","282657","2023-04-15","22:46:21",""
"7712769","23.001","0.003","4.6615","0.0007","9.2225","0.0014","90","","95.957","0.003","90","","983.5","0.2","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H34 O4 Zn -","- C18 H34 O4 Zn -","- C36 H68 O8 Zn2 -","2","1","","Wagner, Molly; Pigliapochi, Roberta; DI TULLIO, VALERIA; Catalano, Jaclyn; Zumbulyadis, Nicholas; Centeno, Silvia; Wang, Xiaoling; Chen, Kuizhi; Hung, Ivan; Gan, Zhehong; Dworzak, Michael; Yap, Glenn P. A.; Dybowski, Cecil","Multi-Technique Structural Analysis of Zinc Carboxylates (Soaps)","Dalton Transactions","2023","","","","","10.1039/D3DT00184A","","","1.54178","CuKα","","0.0483","0.048","","","0.1357","0.1359","","","","","","1.132","","","","has coordinates","282657","2023-04-15","22:46:21",""
"7713002","12.5905","0.001","10.461","0.0009","20.3664","0.0017","90","","90.778","0.002","90","","2682.2","0.4","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C57.32 H91.3 Mg2 O5.33 -","- C52 H80 Mg2 O4 -","- C104 H160 Mg4 O8 -","2","1","","Wannipurage, Duleeka; D'Aniello, Sara; Pappalardo, Daniela; Kulathungage, Lakshani Wathsala; Ward, Cassandra L.; Anderson, Danni P.; Groysman, Stanislav; Mazzeo, Mina","Simple magnesium alkoxides: synthesis, molecular structure, and catalytic behaviour in the ring-opening polymerization of lactide and macrolactones and for copolymerization of maleic anhydride and propylene oxide","Dalton Transactions","2023","","","","","10.1039/D3DT00785E","","","0.71073","MoKα","","0.2148","0.0959","","","0.243","0.3109","","","","","","0.982","","","","has coordinates,has disorder","283663","2023-05-10","22:46:12",""
"7713218","11.9363","0.0009","8.2215","0.0005","10.1229","0.0007","90","","96.017","0.007","90","","987.93","0.12","296.3","0.3","296.3","0.3","","","","","","","","4","P 1 c 1","P -2yc","7","[Eu2(C4O4)3(H2O)8]n","europium(III) squarate","","- C12 H16 Eu2 O20 -","- C12 H16 Eu2 O20 -","- C24 H32 Eu4 O40 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0453","0.0377","","","0.106","0.1112","","","","","","1.059","","","","has coordinates","284139","2023-06-01","22:57:49",""
"7713219","11.9168","0.0004","8.1217","0.0002","9.9844","0.0003","90","","95.823","0.003","90","","961.35","0.05","297.95","0.1","297.95","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","[Yb2(C4O4)3(H2O)8]n","ytterbium(III) squarate","","- C12 H16 O20 Yb2 -","- C12 H16 O20 Yb2 -","- C24 H32 O40 Yb4 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0266","0.023","","","0.0587","0.0607","","","","","","1.036","","","","has coordinates","284139","2023-06-01","22:57:49",""
"7713220","11.9232","0.0004","8.1407","0.0002","10.0025","0.0003","90","","95.988","0.003","90","","965.58","0.05","297.8","0.4","297.8","0.4","","","","","","","","4","P 1 c 1","P -2yc","7","[Er2(C4O4)3(H2O)8]n","erbium(III) squarate","","- C12 H16 Er2 O20 -","- C12 H16 Er2 O20 -","- C24 H32 Er4 O40 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0247","0.0215","","","0.0513","0.0537","","","","","","1.055","","","","has coordinates","284139","2023-06-01","22:57:49",""
"7713221","11.9063","0.0008","8.1711","0.0005","10.0452","0.0006","90","","95.934","0.006","90","","972.04","0.11","295.5","0.2","295.5","0.2","","","","","","","","4","P 1 c 1","P -2yc","7","[Dy2(C4O4)3(H2O)8]n","dysprosium(III) squarate","","- C12 H16 Dy2 O20 -","- C12 H16 Dy2 O20 -","- C24 H32 Dy4 O40 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0389","0.0305","","","0.0787","0.0848","","","","","","1.025","","","","has coordinates","284139","2023-06-01","22:57:50",""
"7713222","11.9195","0.0007","8.1486","0.0005","10.0126","0.0006","90","","95.907","0.006","90","","967.33","0.1","295.3","0.3","295.3","0.3","","","","","","","","4","P 1 c 1","P -2yc","7","[Ho2(C4O4)3(H2O)8]n","holmium(III) squarate","","- C12 H16 Ho2 O20 -","- C12 H16 Ho2 O20 -","- C24 H32 Ho4 O40 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0224","0.0195","","","0.0478","0.0496","","","","","","1.007","","","","has coordinates","284139","2023-06-01","22:57:50",""
"7713223","11.924","0.0004","8.1318","0.0002","9.9899","0.0004","90","","95.876","0.003","90","","963.57","0.06","295.8","0.2","295.8","0.2","","","","","","","","4","P 1 c 1","P -2yc","7","[Tm2(C4O4)3(H2O)8]n","thulium(III) squarate","","- C12 H16 O20 Tm2 -","- C12 H16 O20 Tm2 -","- C24 H32 O40 Tm4 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0208","0.0182","","","0.0527","0.0546","","","","","","1.062","","","","has coordinates","284139","2023-06-01","22:57:50",""
"7713224","11.9151","0.0005","8.1066","0.0003","9.9577","0.0004","90","","95.748","0.004","90","","956.99","0.07","297.95","0.1","297.95","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","[Lu2(C4O4)3(H2O)8]n","lutetium(III) squarate","","- C12 H16 Lu2 O20 -","- C12 H16 Lu2 O20 -","- C24 H32 Lu4 O40 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.034","0.0281","","","0.0793","0.0847","","","","","","1.016","","","","has coordinates","284139","2023-06-01","22:57:50",""
"7713225","11.9359","0.0007","8.1994","0.0004","10.0894","0.0005","90","","95.928","0.005","90","","982.14","0.09","295.4","0.14","295.4","0.14","","","","","","","","4","P 1 c 1","P -2yc","7","[Gd2(C4O4)3(H2O)8]n","gadolinium(III) squarate","","- C12 H16 Gd2 O20 -","- C12 H16 Gd2 O20 -","- C24 H32 Gd4 O40 -","2","1","","Takano, Rina; Masuda, Koki; Cho, Keigo; Kitagawa, Yasutaka; Ishida, Takayuki","Bilayered lanthanide squarate hydrates (Ln = Eu to Lu) and magnetization reversal barriers of 21 K for Ln = Tm and 57 K for Yb.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03878a","","x-ray","0.71073","MoKα","","0.0277","0.0234","","","0.0539","0.0565","","","","","","1.035","","","","has coordinates","284139","2023-06-01","22:57:50",""
"7714177","9.9012","0.0018","22.77","0.006","19.527","0.005","90","","102.48","0.04","90","","4298.3","1.9","100","0.1","100","0.1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C45 H54 B3 Cl P3 Rh -","- C45 H54 B3 Cl P3 Rh -","- C180 H216 B12 Cl4 P12 Rh4 -","4","2","","Paskaruk, Katia M.; Emslie, David J. H.; Britten, James F.","A comparison of the coordination behaviour of R<sub>2</sub>PCH<sub>2</sub>BMe<sub>2</sub> (R = Me <i>vs.</i> Ph) ambiphilic ligands with late transition metals.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02538a","","","0.71073","MoKα","","0.0382","0.0339","","","0.0795","0.081","","","","","","1.024","","","","has coordinates","286882","2023-10-10","22:56:04",""
"7714405","12.7993","0.0008","17.6551","0.001","16.4434","0.001","90","","108.775","0.002","90","","3518","0.4","100","2","100.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C44 H32 Cl2 N4 Rh2 -","- C44 H32 Cl2 N4 Rh2 -","- C176 H128 Cl8 N16 Rh8 -","4","2","","Kiseleva, Marina A.; Andrei, Churakov; Taydakov, Ilya V.; Metlin, Mikhail T.; Kozyukhin, Sergey; Bezzubov, Stanislav","Aggregation-induced emission of cyclometalated rhodium(III) and iridium(III) phenylpyridine complexes with ancillary 1,3-diketones","Dalton Transactions","2023","","","","","10.1039/D3DT02651E","","x-ray","0.71073","MoKα","","0.0986","0.0765","","","0.21","0.2214","","","","","","1.373","","","","has coordinates","287477","2023-11-08","00:01:02",""
"7714623","10.9278","0.0009","7.7836","0.0006","7.2784","0.0006","90","","99.345","0.008","90","","610.87","0.09","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- H2 I Mo Na O7 -","- H2 I Mo Na O7 -","- H8 I4 Mo4 Na4 O28 -","4","2","","Shui, Yi; Liang, Zhengli; Li, Zhenhua; Wan, Jiahao; Liu, Lehui; Jiang, Xingxing; Lin, Zheshuai; Liu, Hongming","NaMoO<sub>3</sub>(IO<sub>3</sub>)(H<sub>2</sub>O): water molecule introduction induces strong second harmonic generation response, widened band gap and large anisotropy.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1221","1229","10.1039/d3dt03304j","","","0.71073","MoKα","","0.0639","0.0573","","","0.1338","0.1407","","","","","","1.067","","","","has coordinates","289541","2024-02-04","12:05:31",""
"7714664","19.1301","0.0008","10.9095","0.0004","24.8499","0.0011","90","","93.027","0.002","90","","5178.9","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C59 H78 B2 Mo N2 O4 -","- C59 H78 B2 Mo N2 O4 -","- C236 H312 B8 Mo4 N8 O16 -","4","2","","Dietz, Maximilian; Arrowsmith, Merle; Braunschweig, Holger","CAAC-stabilised 9,10-diboraanthracene: an electronically and structurally flexible platform for small-molecule activation and metal complexation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","449","453","10.1039/d3dt03787h","","x-ray","0.71073","MoKα","K-L~2,3~","0.0804","0.0572","","","0.1242","0.1433","","","","","","1.115","","","","has coordinates,has disorder","289528","2024-02-04","12:03:21",""
"7714665","19.147","0.0006","10.9198","0.0004","24.8088","0.001","90","","93.027","0.001","90","","5179.8","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C59 H78 B2 N2 O4 W -","- C59 H78 B2 N2 O4 W -","- C236 H312 B8 N8 O16 W4 -","4","2","","Dietz, Maximilian; Arrowsmith, Merle; Braunschweig, Holger","CAAC-stabilised 9,10-diboraanthracene: an electronically and structurally flexible platform for small-molecule activation and metal complexation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","449","453","10.1039/d3dt03787h","","x-ray","0.71073","MoKα","K-L~2,3~","0.0234","0.0207","","","0.0462","0.0482","","","","","","1.042","","","","has coordinates,has disorder","289528","2024-02-04","12:03:21",""
"7714749","9.7775","0.0001","5.8209","0.0001","8.0322","0.0001","90","","90.0106","","90","","457.143","0.011","296.36","0.13","296.36","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Br Ce Mo O4 -","- Br Ce Mo O4 -","- Br4 Ce4 Mo4 O16 -","4","2","","Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian","Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2029","2038","10.1039/d3dt03640e","","x-ray","0.71073","MoKα","","0.0159","0.0157","","","0.0193","0.0194","","","","1.32","1.32","1.32","","","","has coordinates","289472","2024-02-04","11:47:16",""
"7714750","9.5513","0.0001","5.793","","7.9495","0.0001","90","","90.014","0.0007","90","","439.851","0.007","296.97","0.13","296.97","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Ce Cl Mo O4 -","- Ce Cl Mo O4 -","- Ce4 Cl4 Mo4 O16 -","4","2","","Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian","Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2029","2038","10.1039/d3dt03640e","","x-ray","0.71073","MoKα","","0.0138","0.0136","","","0.0181","0.0182","","","","1.24","1.24","1.24","","","","has coordinates","289472","2024-02-04","11:47:24",""
"7714751","9.8783","0.0001","5.9223","0.0001","7.9394","0.0001","90","","90.0083","","90","","464.473","0.011","296.4","0.4","296.4","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Br Ce O4 W -","- Br Ce O4 W -","- Br4 Ce4 O16 W4 -","4","2","","Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian","Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2029","2038","10.1039/d3dt03640e","","x-ray","0.71073","MoKα","","0.0211","0.0208","","","0.0255","0.0256","","","","1.84","1.84","1.83","","","","has coordinates","289472","2024-02-04","11:47:24",""
"7714752","19.6059","0.0002","5.8945","0.0001","7.8009","0.0001","90","","101.475","0.0008","90","","883.51","0.02","297.6","0.7","297.6","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Ce Cl O4 W -","- Ce Cl O4 W -","- Ce8 Cl8 O32 W8 -","8","4","","Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian","Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2029","2038","10.1039/d3dt03640e","","x-ray","0.71073","MoKα","","0.0257","0.0229","","","0.0294","0.0298","","","","1.53","1.53","1.49","","","","has coordinates","289472","2024-02-04","11:47:24",""
"7715207","11.0665","0.0002","10.5685","0.0003","10.2132","0.0002","90","","95.816","0.002","90","","1188.35","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C9 H35 B18 Co I N -","- C9 H35 B18 Co I N -","- C18 H70 B36 Co2 I2 N2 -","2","1","","Nekvinda, Jan; Bavol, Dmytro; Litecká, Miroslava; Tüzün, Ece Zeynep; Dušek, Michal; Grüner, Bohumír","Synthetic routes to carbon substituted cobalt bis(dicarbollide) alkyl halides and aromatic amines along with closely related irregular pathways.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5816","5826","10.1039/d4dt00072b","","x-ray","1.54184","CuKα","","0.0518","0.0485","","","0.1328","0.1374","","","","","","1.066","","","","has coordinates,has disorder","290943","2024-04-04","23:27:15",""
"7715887","19.5105","0.001","19.9572","0.0008","21.3269","0.0011","90","","91.091","0.005","90","","8302.7","0.7","100","0.2","100","0.2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- B17 Mg O30.5 -","- B17 Mg O30.5 -","- B136 Mg8 O244 -","8","4","","Volkov, Sergey; Yukhno, Valentina; Banaru, Alexander; Deyneko, Dina; Aksenov, Sergey; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Antonov, Andrey; Krzhizhanovskaya, Maria; Ugolkov, Valery; Firsova, Vera; Vaitieva, Yulia; Boldyrev, Kirill; Bubnova, Rimma","Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[B<sub>18</sub>φ<sub>34-35</sub>]}-clusters.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d3dt04048h","","x-ray","0.71073","MoKα","","0.1687","0.0988","","","0.2447","0.2969","","","","","","0.96","","","","has coordinates","291414","2024-04-29","23:03:16",""
"8000080","6.2952","0.0013","13.29","0.003","17.297","0.004","90","","101.4","0.03","90","","1418.6","0.6","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C33 H30 F6 N2 -","- C33 H30 F6 N2 -","- C66 H60 F12 N4 -","2","1","","Dou, Chuandong; Han, Liang; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue","Multi-Stimuli-Responsive Fluorescence Switching of a Donor−Acceptor π-Conjugated Compound","The Journal of Physical Chemistry Letters","2011","2","6","666","","10.1021/jz200140c","","","0.71073","MoKα","","0.2184","0.0909","","","0.2118","0.2745","","","","","","0.993","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000103","6.9023","0.0003","9.6086","0.0005","14.9289","0.0007","90","","92.125","0.003","90","","989.43","0.08","90","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H13 N7 O -","- C24 H13 N7 O -","- C48 H26 N14 O2 -","2","1","","Suzuki, Mai; Fujii, Takashi; Nogami, Takashi; Hirano, Takashi; Ishida, Takayuki","Bio-inspired Materials for Electron Donors and Charge-transfer Complex Formation Based on the Imidazopyrazinone Luciferin Core","Chemistry Letters","2006","35","3","250","","10.1246/cl.2006.250","","","0.71069","MoKα","","","0.043","","","","0.054","","","","","","0.99","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000468","5.9937","0.001","31.533","0.005","7.4479","0.0009","90","","91.034","0.012","90","","1407.4","0.4","93","","93","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H9 I S2 -","- C18 H9 I S2 -","- C72 H36 I4 S8 -","4","2","","Matsunaga, Amane; Ogawa, Yuta; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Control of Molecular Orientation in Organic Semiconductors Using Weak Iodine‒Iodine Interactions","The Journal of Physical Chemistry Letters","2020","","","111","116","10.1021/acs.jpclett.0c02978","","","0.71073","MoKα","","0.1633","0.1558","","","0.4193","0.4314","","","","","","1.844","","","","has coordinates","259877","2020-12-15","00:23:58",""
"8100968","9.4562","0.0006","12.4669","0.0008","6.9661","0.0005","90","","100.814","0.001","90","","806.65","0.09","213","2","213","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C36 H32 N8 -","4","2","","Staples, Richard J.; Sonderegger, Lori H.","Crystal structure of 4-phenylimidazole, C~9~H~8~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","313","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101317","6.594","0.001","6.547","0.002","14.316","0.003","90","","101.1","0.02","90","","606.5","0.2","208","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Br7 Ga Se -","- Br7 Ga Se -","- Br14 Ga2 Se2 -","2","1","","Schulz Lang, Ernesto; Burrow, Robert Alan; Diniz, Juraci","Crystal structure of tribromoselenium(IV) tetrabromogallate(III), [SeBr~3~][GaBr~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","351","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101565","5.553","0.001","7.692","0.001","15.676","0.001","90","0.01","92.812","0.001","90","0.01","668.8","0.2","298","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H9 N O6 -","- C16 H9 N O6 -","- C32 H18 N2 O12 -","2","1","","Kakou-Yao, R.; Saba, A.; Ebby, N.; Aycard, J. P.","Crystal structure of 4-(α-hydroxy-p-nitrobenzyl)isochroman-1,3-dione, C~16~H~9~NO~6~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","481","482","","","","","","","","0.037","","","0.213","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101736","10.151","0.0014","28.659","0.004","9.286","0.002","90","","110.175","0.011","90","","2535.7","0.8","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","bis(tetra-n-butylammonium)bis(1,3-dithiole-2-thione-4,5-dithiolato)mercury(II)","","- C38 H72 Hg N2 S10 -","- C38 H72 Hg N2 S10 -","- C76 H144 Hg2 N4 S20 -","2","1","","Wang, X.-Q.; Yu, W.-T.; Xu, D.; Li, T.-B.; Wang, Y.-L.; Zhang, G.-H.; Xue, G.; Yang, H.-L.; Ren, Q.","Crystal structure of bis(tetra-n-butylammonium) bis(1,3-dithiole-2- thione-4,5-dithiolato)mercurate(II), [(C~4~H~9~)~4~N]~2~[Hg(C~3~S~5~)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","177","179","","","","0.71073","MoKα","","0.195","0.0727","","","0.1445","0.1942","","","","","","0.967","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8101756","6.3676","0.0002","9.8475","0.0004","15.2298","0.0006","90","","93.015","0.002","90","","953.66","0.06","228","2","228","2","","","","","","","","4","P 1 c 1","P -2yc","7","","iodoferrocene","","- C10 H9 Fe I -","- C10 H9 Fe I -","- C40 H36 Fe4 I4 -","4","2","","G. Laus; K. Wurst; W. Stolz; H. Schottenberger","Crystal structure of iodoferrocene, Fe(C~5~H~4~I)(C~5~H~5~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","229","230","","","","0.71073","MoKα","","0.0202","0.0184","","","0.0375","0.0382","","","","","","1.082","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103068","12.7035","0.0013","11.0116","0.0011","10.0708","0.001","90","","105.438","0.001","90","","1357.9","0.2","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N'-(3-Phenylallylidene)isonicotinohydrazide-water (2:1): C~15~H~13~N~3~O~2~.H~2~O","","- C15 H14 N3 O1.5 -","- C15 H14 N3 O1.5 -","- C60 H56 N12 O6 -","4","2","","Liu-Shui Yan; De-He Huang; Yuan Chen","Refinement of the crystal structure of bis[N'-(3-phenylallylidene)isonicotinohydrazide] hydrate, 2C15H13N3O · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","135","","","","","0.71073","MoKα","","0.0606","0.0369","","","0.069","0.0775","","","","","","0.993","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8104219","6.73","","13.95","","10.03","","90","","111.52","","90","","876.009","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","Ca (Al2 Si6 O16)","","- Al2 Ca O16 Si6 -","- Al2 Ca O16 Si6 -","- Al4 Ca2 O32 Si12 -","2","1","","Kerr, I.S.; Williams, D.J.","The crystal structure of yugawaralite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1967","125","","220","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104229","6.73","","13.96","","10.02","","90","","111.5","","90","","875.883","","","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","Ca1.03 (Al2.06 Si5.94 O16) (H2 O)3.87","","- Al2.06 Ca1.03 H7.74 O19.87 Si5.94 -","- Al2.06 Ca1.03 O19.87 Si5.94 -","- Al4.12 Ca2.06 O39.74 Si11.88 -","2","1","","Leimer, H.W.; Slaughter, M.","The determination and refinement of the crystal structure of yugawaralite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1969","130","","88","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104296","9.059","","19.415","","11.949","","90","","137.36","","90","","1423.6","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- S8 Sb5 Tl -","- S8 Sb5 Tl -","- S32 Sb20 Tl4 -","4","2","","Engel, P.","Die Kristallstruktur von synthetischem Parapierrotit, Tl Sb5 S8","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1980","151","","203","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104721","21.218","0.006","5.9599","0.0016","9.439","0.003","90","","99.295","0.003","90","","1178","0.6","296","2","296.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C26 H21 Cl2 F3 N4 O -","- C26 H21 Cl2 F3 N4 O -","- C52 H42 Cl4 F6 N8 O2 -","2","1","","Fang, Shu-Fen; Peng, Wen-Wen; Xiong, Yuan-Zhen; Nie, Xu-Liang; Huang, Jian-Ping","Crystal structure of 3-(2-chloro-benzyl)-7-[4-(2-chloro-benzyl)-piperazin-1-yl]-5,6,8-trifluoro-3H-quinazolin-4-one, C 26 H 21 Cl 2 F 3 N 4 O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","815","817","10.1515/ncrs-2021-0085","","","0.71073","MoKα","","0.0492","0.0471","","","0.1271","0.1282","","","","","","1.031","","","","has coordinates","273598","2022-03-10","09:47:01",""
"8104960","8.5247","0.0005","10.6658","0.0005","21.297","0.001","90","","109.472","0.002","90","","1825.63","0.16","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C26 H54 N10 O3 S3 -","- C26 H54 N10 O3 S3 -","- C52 H108 N20 O6 S6 -","2","1","","Xu, Duanjie; Wang, Baiyan; Zhu, Xin","Crystal structure of tetrabutylammonium sulfanilate – 1-(diaminomethylene)thiourea (1/2)","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","59","60","10.1515/ncrs-2021-0361","","","0.71073","MoKα","","0.0465","0.0366","","","0.0866","0.0937","","","","","","0.891","","","","has coordinates,has disorder","274123","2022-03-30","09:21:24",""
"8105219","3.7133","0.0001","9.7214","0.0004","15.5765","0.0006","90","","96.121","0.002","90","","559.08","0.03","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H8 O4 -","- C16 H8 O4 -","- C32 H16 O8 -","2","1","","Luo, Peng; Chittiboyina, Amar G.; Pan, Wei-Gao; Wei, Wan-Xing","Crystal structure of 4-hydroxynaphtho[2,3-b]benzofuran-6,11-dione, C16H8O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","565","567","10.1515/ncrs-2019-0809","","","1.54178","CuKα","","0.0513","0.0506","","","0.1264","0.1274","","","","","","1.097","","","","has coordinates","275332","2022-05-11","08:56:17",""
"8105247","7.9362","0.0006","14.1331","0.0007","7.7734","0.0006","90","","96.701","0.006","90","","865.93","0.1","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H26 Br Na O7 -","- C12 H26 Br Na O7 -","- C24 H52 Br2 Na2 O14 -","2","1","","Klein, Wilhelm","Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ6 O 6) sodium bromide hydrate, [Na(18-crown-6)]Br ⋅ H2O, C12H26BrNaO7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","651","653","10.1515/ncrs-2019-0883","","","0.71073","MoKα","","0.0338","0.0257","","","0.0569","0.0598","","","","","","1.083","","","","has coordinates","275402","2022-05-13","08:35:55",""
"8106287","17.8843","0.0015","7.1821","0.0006","6.3086","0.0006","90","","98.487","0.003","90","","801.45","0.12","296","2","296.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","","Li, Peng-Peng; Ma, Jin-Xia; Li, Qing-Lin; Zhao, Ji-Xing; Zhao, Li","Crystal structure of 1-{4-[(2-hydroxy-5-methyl benzylidene)amino]phenyl}ethanone O-ethyl-oxime, C18H20N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","759","761","10.1515/ncrs-2017-0359","","","0.71073","MoKα","","0.076","0.0533","","","0.1287","0.1411","","","","","","1.043","","","","has coordinates","279608","2022-11-28","10:30:29",""
"8106448","14.844","0.0004","7.2002","0.0002","10.092","0.0002","90","","99.733","0.002","90","","1063.11","0.05","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C9 H11 Cl N2 S -","- C9 H11 Cl N2 S -","- C36 H44 Cl4 N8 S4 -","4","2","","El-Hiti, Gamal A.; Smith, Keith; Alshammari, Mohammed B.; Hegazy, Amany S.; Kariuki, Benson M.","Crystal structure of 3-(4-chlorophenyl)-1,1-dimethylthiourea, C9H11ClN2S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","105","107","10.1515/ncrs-2016-0171","","","1.54184","CuKα","","0.0429","0.0399","","","0.1059","0.1099","","","","","","1.021","","","","has coordinates","280298","2023-01-12","10:12:16",""
"8106549","4.4412","0.0008","14.1","0.003","15.206","0.003","90","","95.92","0.004","90","","947.1","0.3","296.15","","296.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H20 N6 O4 -","- C18 H20 N6 O4 -","- C36 H40 N12 O8 -","2","1","","Wang, Zhaodong; Lin, Huanzhu; Yang, Yanshuang","Crystal structure of N,N′–bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide dihydrate, C18H20N6O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","403","404","10.1515/ncrs-2016-0287","","","0.71073","MoKα","","0.0483","0.0352","","","0.0714","0.077","","","","","","1.042","","","","has coordinates","280525","2023-01-23","09:46:56",""
"8106655","11.415","0.0003","17.3038","0.0009","9.3802","0.0005","90","","104.701","0.004","90","","1792.15","0.15","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H42 Ag2 N4 O12 S -","- C30 H42 Ag2 N4 O12 S -","- C60 H84 Ag4 N8 O24 S2 -","2","1","","Liu, Xue-Guo; Yan, Wei-Hong; Fan, Hui-Tao; Qin, Teng-Teng","Crystal structure of poly[(thiophene-3,4-dicarboxylato-κ1 O)bis[1,2-bis(4-pyridyl)ethane-κ2 N:N′]silver(I)] octahydrate, C30H42Ag2N4O12S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","721","723","10.1515/ncrs-2016-0369","","","0.71073","MoKα","","0.0381","0.032","","","0.0614","0.0638","","","","","","1.014","","","","has coordinates,has disorder","280745","2023-02-02","08:14:09",""
"8106747","17.789","0.002","7.1127","0.0007","6.2885","0.0006","90","","97.513","0.01","90","","788.84","0.14","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C17 H17 Cl N2 O2 -","- C17 H17 Cl N2 O2 -","- C34 H34 Cl2 N4 O4 -","2","1","","Zhao, Ji-Xing; Zhao, Li; Liu, Guo-Hua; Li, Peng-Peng; Zhu, Zhao-Bin","Crystal structure of 1-{4-[(5-Chloro-2-hydroxy-benzylidene)amino]phenyl} ethanone O-ethyl-oxime, C17H17ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","999","1001","10.1515/ncrs-2017-0129","","x-ray","0.71073","MoKα","","0.083","0.06","","","0.1399","0.1651","","","","","","1.058","","","","has coordinates","280850","2023-02-09","10:26:15",""
"8106781","12.05","0.003","5.5218","0.0013","8.1813","0.0019","90","","107.934","0.006","90","","517.9","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C22 H20 N4 O2 S2 -","2","1","","Yan, Hao-Jie; Wang, Zhi-Peng; Zhang, Qi-Qi; Chen, Wen-Hua","Crystal structure of 4-((pyridin-4-ylmethyl)sulfinyl)pyridine, C11H10N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","47","48","10.1515/ncrs-2014-9102","","","0.71073","MoKα","","0.0586","0.0483","","","0.1176","0.1247","","","","","","1.024","","","","has coordinates","280886","2023-02-14","10:25:07",""
"8106865","7.71","0.002","5.701","0.002","19.053","0.006","90","","99.031","0.006","90","","827.1","0.4","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C36 H38 N2 O6 S2 -","2","1","","Dong, Yan","Crystal structure of 2-(dimethylsulfanylidene)-N-(4-methoxyphenyl)-3-oxo-3-phenylpropanamide","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","325","327","10.1515/ncrs-2015-0188","","","0.71073","MoKα","","0.0449","0.0361","","","0.0835","0.0885","","","","","","1.043","","","","has coordinates","281700","2023-03-07","10:13:22",""
"8107006","12.0784","0.0004","5.3304","0.0002","8.937","0.0003","90","","108.263","0.002","90","","546.4","0.03","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H10 N2 O2 S -","- C11 H10 N2 O2 S -","- C22 H20 N4 O4 S2 -","2","1","","Liu, Rui-Heng; Qin, Zhao-Xian; Guo, Hui","Crystal structure of 4-(pyridin-4-ylmethylsulfonyl)pyridine, C11H10N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","789","790","10.1515/ncrs-2015-0268","","","0.71073","MoKα","","0.0335","0.0303","","","0.0759","0.0782","","","","","","1.058","","","","has coordinates","282237","2023-04-04","08:55:27",""
"8107020","7.1396","0.0004","9.2946","0.0005","13.4298","0.0007","90","","115.688","0.004","90","","803.12","0.08","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H26 N2 O3 S -","- C14 H26 N2 O3 S -","- C28 H52 N4 O6 S2 -","2","1","","Sun, Ning; Cai, Yuanyuan","Crystal structure of tetraethylammonium 4-aminobenzenesulfonate, C14H26N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","831","832","10.1515/ncrs-2015-0284","","","0.71073","MoKα","","0.0364","0.0341","","","0.0941","0.0961","","","","","","1.054","","","","has coordinates","282374","2023-04-05","07:18:22",""
"8107024","7.71","0.002","5.701","0.002","19.053","0.006","90","","99.031","0.006","90","","827.1","0.4","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C36 H38 N2 O6 S2 -","2","1","","Barakat, Assem; Ali, M.; Al-Majid, Abdullah Mohammed; Islam, Mohammad Shahidul; Ghabbour, Hazem A.","Crystal structure of 5-((4-bromophenyl)(2-hydroxy-6-oxocyclohex-1-en-1-yl)methyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C19H19BrN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","843","845","10.1515/ncrs-2015-0288","","","0.71073","MoKα","","0.0449","0.0361","","","0.0835","0.0885","","","","","","1.043","","","","has coordinates","282378","2023-04-05","07:29:36",""
"8107246","18.7986","0.0012","8.3431","0.0006","22.4638","0.0016","90","","100.554","0.005","90","","3463.6","0.4","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C56 H107 K2 N11 O12 -","- C56 H107 K2 N11 O12 -","- C112 H214 K4 N22 O24 -","2","1","","Wallach, Christoph; Klein, Wilhelm; Fässler, Thomas F.","Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ 6O6)potassium(2-methylphenylamino)ethyl-2-methylphenylamide ammoniate (1/3.5), [K(18-crown-6)](o-CH3C6H4)NH(CH2)2N(o-CH3C6H4) 3.5 NH3, C28H53.5KN5.5O6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","897","901","10.1515/ncrs-2022-0275","","","0.71073","MoKα","","0.0997","0.0712","","","0.1815","0.2226","","","","","","1.016","","","","has coordinates","283952","2023-05-23","07:38:08",""
"8107598","13.405","0.0004","4.7716","0.0001","11.7303","0.0004","90","","105.885","0.003","90","","721.66","0.04","160","2","160","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C13 H8 Br2 N2 O S2 -","- C13 H8 Br2 N2 O S2 -","- C26 H16 Br4 N4 O2 S4 -","2","1","","Al-Omary, Fatmah A. M.; Blacque, Olivier; Alanazi, Fahdah S.; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of 2-[(4-bromobenzyl)thio]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C13H8Br2N2OS2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","911","913","10.1515/ncrs-2023-0270","","x-ray","1.54184","CuKα","","0.0296","0.0294","","","0.0806","0.0808","","","","","","1.131","","","","has coordinates","286900","2023-10-11","07:52:39",""
"9000979","6.045","","5.646","","14.337","","90","","93.39","","90","","488.467","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","Wroewolfeite","- Cu4 H10 O12 S -","- Cu4 H6 O12 S -","- Cu8 H12 O24 S2 -","2","1","","Hawthorne, F. C.; Groat, L. A.","The crystal structure of wroewolfeite, a mineral with [Cu4(OH)6(SO4)(H2O)] sheets","American Mineralogist","1985","70","","1050","1055","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"9001115","5.673","","8.48","","10.529","","90","","106.13","","90","","486.579","","","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","","Canaphite","- Ca H4 Na2 O11 P2 -","- Ca H4 Na2 O11 P2 -","- Ca2 H8 Na4 O22 P4 -","2","1","","Rouse, R. C.; Peacor, D. R.; Freed, R. L.","Pyrophosphate groups in the structure of canaphite, CaNa2P2O7.4(H2O): The first occurrence of a condensed phosphate as a mineral","American Mineralogist","1988","73","","168","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9002538","6.732","","14.0157","","10.0607","","90","","111.189","","90","","885.087","","","","315","","","","","","","","","4","P 1 c 1","P -2yc","7","","","Yugawaralite","- Al2 Ca O20.29 Si6 -","- Al2 Ca O20.29 Si6 -","- Al4 Ca2 O40.58 Si12 -","2","1","","Artioli, G.; Stahl, K.; Cruciani, G.; Gualtieri, A.; Hanson, J. C.","In situ dehydration of yugawaralite Sample: at T = 315 K","American Mineralogist","2001","86","","185","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9002539","6.75075","","14.0285","","10.0289","","90","","111.216","","90","","885.393","","","","454","","","","","","","","","4","P 1 c 1","P -2yc","7","","","Yugawaralite","- Al2 Ca O19.69 Si6 -","- Al2 Ca O19.69 Si6 -","- Al4 Ca2 O39.38 Si12 -","2","1","","Artioli, G.; Stahl, K.; Cruciani, G.; Gualtieri, A.; Hanson, J. C.","In situ dehydration of yugawaralite Sample: at T = 454 K","American Mineralogist","2001","86","","185","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9002540","6.7836","","13.9842","","10.0736","","90","","111.443","","90","","889.468","","","","581","","","","","","","","","4","P 1 c 1","P -2yc","7","","","Yugawaralite","- Al2 Ca O19.07 Si6 -","- Al2 Ca O19.07 Si6 -","- Al4 Ca2 O38.14 Si12 -","2","1","","Artioli, G.; Stahl, K.; Cruciani, G.; Gualtieri, A.; Hanson, J. C.","In situ dehydration of yugawaralite Sample: at T = 581 K","American Mineralogist","2001","86","","185","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004968","7.0755","","5.4106","","40.623","","90","","93.156","","90","","1552.8","","","","","","","","","","","","Khibina-Lovozero alkaline complex, Kola peninsula, Russia","13","P 1 c 1","P -2yc","7","","","Sobolevite","- Ca1.63 F3 Fe0.1 Mg0.41 Mn1.02 Na13.62 Nb0.51 O33 P4 Si4 Sr0.03 Ti2.42 Zr0.09 -","- Ca1.63 F3 Fe0.1 Mg0.41 Mn1.02 Na13.62 Nb0.51 O33 P4 Si4 Sr0.03 Ti2.42 Zr0.09 -","- Ca3.26 F6 Fe0.2 Mg0.82 Mn2.04 Na27.24 Nb1.02 O66 P8 Si8 Sr0.06 Ti4.84 Zr0.18 -","2","1","","Sokolova, E.; Hawthorne, F. C.; Khomyakov, A. P.","Polyphite and sobolevite: Revision of their crystal structures","The Canadian Mineralogist","2005","43","","1527","1544","10.2113/gscanmin.43.5.1527","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006305","4.2166","","4.0206","","7.6423","","90","","119.667","","90","","112.579","","","","","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","2","","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: 22","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9009715","7.118","","6.034","","11.209","","90","","90.02","","90","","481.427","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","Langite","- Cu4 H10 O12 S -","- Cu4 O12 S -","- Cu8 O24 S2 -","2","1","","Galy, J.; Jaud, J.; Pulou, R.; Sempere, R.","Structure cristalline de la langite, Cu4[SO4(OH)6H2O]*H2O Locality: Mazega, Aveyrone, France","Bulletin de Mineralogie","1984","107","","641","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9011235","6.65","","6.671","","16.612","","90","","94.34","","90","","734.831","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- As2 O9 S2 -","- As2 O9 S2 -","- As8 O36 S8 -","4","2","","Mercier, R.; Douglade, J.","Structure cristalline d'un oxysulfate d'arsenic(III) As2O(SO4)2 (ou As2O3*(SO3)2) Note: AnisoB's from ICSD","Acta Crystallographica, Section B","1982","38","","1731","1735","10.1107/S0567740882007055","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011456","8.76","","4.41","","10.15","","90","","125.2","","90","","320.411","","","","","","","","","","","","Cripple Creek, Colorado, USA","2","P 1 c 1","P -2yc","7","","","Calaverite","- Au Te2 -","- Au Te2 -","- Au4 Te8 -","4","2","","Pertlik, F.","Kristallchemie naturlicher telluride III: Die kristallstruktur des minerals calaverit, AuTe2 Locality: Cripple Creek, Colorado, USA","Zeitschrift fur Kristallographie","1984","169","","227","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011478","6.7","","13.972","","10.039","","90","","111.07","","90","","876.943","","","","13","","","","","","","","Hvalfjordur, Iceland","5","P 1 c 1","P -2yc","7","","","Yugawaralite","- Al2 Ca H7.909 O20.038 Si6 -","- Al2 Ca H7.909 O20.038 Si6 -","- Al4 Ca2 H15.818 O40.076 Si12 -","2","1","","Kvick, A.; Artioli, G.; Smith, J. V.","Neutron diffraction study of the zeolite yugawaralite at 13 K Sample: T = 13 K","Zeitschrift fur Kristallographie","1986","174","","265","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9013895","7.137","","6.031","","11.217","","90","","90","","90","","482.816","","","","","","","","","","","","Allihies mine, County Cork, Ireland","4","P 1 c 1","P -2yc","7","","","Langite","- Cu4 H10 O12 S -","- Cu4 H10 O12 S -","- Cu8 H20 O24 S2 -","2","1","","Gentsch, M.; Weber, K.","Structure of langite, Cu4[(OH)6|SO4]*2H2O","Acta Crystallographica, Section C","1984","40","","1309","1311","10.1107/S0108270184007769","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9015039","13.4517","","12.5266","","26.6765","","90","","101.582","","90","","4403.57","","","","","","","","","","","","Cross Lake, Manitoba, Canada","8","P 1 c 1","P -2yc","7","","","Manitobaite","- Al6.56 Ca2.44 Fe12 Mg0.44 Mn12.2 Na15.13 O120 P30 -","- Al13.12 Ca4.88 Fe24 Mg0.88 Mn24.4 Na30.26 O240 P60 -","- Al13.12 Ca4.88 Fe24 Mg0.88 Mn24.4 Na30.26 O240 P60 -","","","","Tait, K. T.; Ercit, T. S.; Abdu, Y. A.; Cerny, P.; Hawthorne, F. C.","The crystal structure and crystal chemistry of manitobaite, ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba Note: green sample","The Canadian Mineralogist","2011","49","","1221","1242","10.3749/canmin.49.5.1221","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015353","5.6973","","17.1823","","23.5718","","90","","90","","90","","2307.51","","","","","","","","","","","","Tashelga River, Western Siberia, Russia","6","P 1 c 1","P -2yc","7","","","Tashelgite","- Al9 Ca Fe H Mg O17 -","- Al9 Ca Fe H Mg O17 -","- Al72 Ca8 Fe8 H8 Mg8 O136 -","8","4","","Rastsvetaeva, R. K.; Aksenov, S. M.; Verin, I. A.","Crystal structure of complex natural aluminum magnesium calcium iron oxide","Crystallography Reports","2010","55","","563","568","10.1134/S106377451004005X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9016713","13.4499","","12.5046","","26.6148","","90","","101.221","","90","","4390.66","","","","","","","","","","","","Cross Lake, Manitoba, Canada","7","P 1 c 1","P -2yc","7","","","Manitobaite","- Al6.78 Ca1.84 Fe12.22 Mn12.91 Na13.5 O120 P30 -","- Al13.56 Ca3.68 Fe24.44 Mn25.82 Na27 O240 P60 -","- Al13.56 Ca3.68 Fe24.44 Mn25.82 Na27 O240 P60 -","","","","Tait, K. T.; Ercit, T. S.; Abdu, Y. A.; Cerny, P.; Hawthorne, F. C.","The crystal structure and crystal chemistry of manitobaite, ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba Note: brown sample","The Canadian Mineralogist","2011","49","","1221","1242","10.3749/canmin.49.5.1221","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017626","9.6155","","12.9331","","6.8616","","90","","99.352","","90","","841.955","","","","","","","","","","","","Lengenbach quarry, Binn valley, Switzerland","3","P 1 c 1","P -2yc","7","","","Dervillite","- Ag2 As S2 -","- Ag16 As8 S16 -","- Ag16 As8 S16 -","","","","Bindi, L.; Nestola, F.; De Battisti, L.; Guastoni, A.","Dervillite, Ag2AsS2, from Lengenbach quarry, Binn valley, Switzerland: occurrence and crystal structure","Mineralogical Magazine","2013","77","","3105","3112","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:19:20",""
"9017754","9.416","","5.3","","10.893","","90","","91.77","","90","","543.354","","","","","","","","","","","","Lavrion Mining District, Greece","5","P 1 c 1","P -2yc","7","","","Stergiouite","- As2 Ca H8 O12 Zn2 -","- As4 Ca2 H16 O24 Zn4 -","- As4 Ca2 H16 O24 Zn4 -","","","","Rieck, B.; Giester, G.; Lengauer, C. L.; Chanmuang, N. C.; Topa, D.","Stergiouite, CaZn2(AsO4)2*4H2O - a new mineral from the Lavrion Mining District, Greece","Mineralogy and Petrology","2020","114","","319","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017763","22.052","","17.118","","19.354","","90","","90.474","","90","","7305.62","","","","","","","","","","","","Jachymov District, Bohemia, Czech Republic","6","P 1 c 1","P -2yc","7","","","Paddlewheelite","- C24 Ca10 Cu4 Mg2 O154.25 U8 -","- C48 Ca20 Cu8 Mg4 O308.5 U16 -","- C48 Ca20 Cu8 Mg4 O308.5 U16 -","","","","Olds, T. A.; Plasil, J.; Kampf, A. R.; Dal Bo, F.; Burns, P. C.","Paddlewheelite, a new uranyl carbonate from the Jachymov District, Bohemia, Czech Republic","Minerals","2018","8","","","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21",""