# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T13:28:48+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 41 21 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1007250","11.957","0.005","11.957","0.005","12.27","0.005","90","","90","","90","","1754.2","","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Trilead bis(cyclo-triphosphate(V)) trihydrate","","- H6 O21 P6 Pb3 -","- H6 O21 P6 Pb3 -","- H24 O84 P24 Pb12 -","4","0.5","","Brunel-Lauegt, M; Tordjman, I; Durif, A","Structure cristalline du trimetaphosphate de plomb trihydrate, Pb3 (P3 O9)2 (H2 O)3","Acta Crystallographica B (24,1968-38,1982)","1976","32","","3246","3249","10.1107/S0567740876010030","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","186636","2020-10-21","18:00:00",""
"1008166","5.17","","5.17","","6.295","","90","","90","","90","","168.3","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Lithium aluminium oxide - γ","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Bertaut, E. F.; Delapalme, A.; Bassi, G.; Durif-Varambon, A.; Joubert, J. C.","Structure de γ-LiAlO~2~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","103","108","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","189455","2020-10-21","18:00:00",""
"1008189","4.06","0.02","4.06","0.02","8","0.02","90","","90","","90","","131.9","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Hydrogen peroxide","","- H2 O2 -","- H2 O2 -","- H8 O8 -","4","0.5","","Busing, William R.; Levy, Henri A.","Crystal and molecular structure of hydrogen peroxide: a neutron-diffraction study","Journal of Chemical Physics","1965","42","9","3054","3059","10.1063/1.1696379","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010757","6.844","0.001","6.844","","21.83","0.05","90","","90","","90","","1022.5","","","","","","","","","","","","from Eisleben, Thuringia, Germany","2","P 41 21 2","P 4abw 2nw","92","","Nickel arsenide (11/8)","Maucherite","- As8 Ni11 -","","","4","0.5","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010938","4.964","0.005","4.964","0.005","6.92","0.005","90","","90","","90","","170.5","","","","","","","","","","","","from Eschwege, Germany","2","P 41 21 2","P 4abw 2nw","92","","Silicon oxide","Cristobalite low","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Nieuwenkamp, W","Die Kristallstruktur des Tief-Cristobalits Si O2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","82","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011189","6.8","","6.8","","18.29999","","90","","90","","90","","846.2","","","","","","","","","","","","synthetic by slow evaporation at RT","4","P 41 21 2","P 4abw 2nw","92","","Nickel sulfate(VI) hexahydrate","Retgersite","- H12 Ni O10 S -","- H12 Ni O10 S -","- H48 Ni4 O40 S4 -","4","0.5","","Beevers, C. A.; Lipson, H.","The crystal structure of nickel sulphate hexahydrate NiSO4 * 6H2O Locality: synthetic","Zeitschrift fur Kristallographie","1932","83","","123","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100480","9.654","0.001","9.654","0.001","27.969","0.002","90","","90","","90","","2606.7","","","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C14 H36 I2 N2 P2 Si Zn -","- C28 H72 I4 N4 P4 Si Zn -","- C112 H288 I16 N16 P16 Si4 Zn4 -","4","0.5","","Krieger, Matthias; Harms, Klaus; Magull, Jörg; Dehnicke, Kurt","Phosphanimin- und Phosphaniminato-Komplexe des Zinks. Kristallstrukturen von [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [ZnI~2~{Me~2~Si(NPEt~3~)~2~}] und [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~ / Phosphaneimine and Phosphoraneiminato Complexes of Zinc. Crystal Structures of [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [Znl~2~{Me~2~Si(NPEt~3~)~2~}], and [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","2","243","250","10.1515/znb-1997-0218","","","","","","","","","","","","","","","","","","","","","has coordinates","177075","2020-10-21","18:00:00",""
"1100659","13.409","0.0005","13.409","0.0005","13.81","0.0004","90","","90","","90","","2483.1","0.1","","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","Tetrathiourea Copper (II) chloride","Tetrathiourea Copper (II) chloride","","- C3 H12 Cl Cu N6 S3 -","- C3 Cl Cu N6 S3 -","- C24 Cl8 Cu8 N48 S24 -","8","1","","Lakshmi, S.; Sridhar, M. A.; Prasad, J. S.; Srinivasan, V.; Kandhaswamy, M. A.; Dhandapani, M.","Synthesis and Structural Analysis of Tetrathioureacopper(I) Chloride","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x19","x20","10.2116/analscix.19.x19","","","","","","","0.0362","","","","","","","","","","","","","","has coordinates","175113","2020-10-21","18:00:00",""
"1502346","9.1072","0.0003","9.1072","0.0003","42.969","0.003","90","","90","","90","","3563.9","0.3","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C168 H192 N16 O16 -","8","1","","Giovanelli, Emerson; Leroux, Sébastien; Moisan, Lionel; Carreyre, Hélène; Thuéry, Pierre; Buisson, David-Alexandre; Meddour, Abdelkrim; Coustard, Jean-Marie; Thibaudeau, Sébastien; Rousseau, Bernard; Nicolas, Marc; Hellier, Paul; Doris, Eric","On the elucidation of the mechanism of Vinca alkaloid fluorination in superacidic medium.","Organic letters","2011","13","15","4116","4119","10.1021/ol201637m","","","0.71073","MoKα","","0.0605","0.0442","","","0.098","0.1054","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502868","11.1537","0.0001","11.1537","0.0001","40.4908","0.0003","90","","90","","90","","5037.26","0.07","150","","150","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","Psidial A","","","- C30 H34 O5 -","- C30 H34 O5 -","- C240 H272 O40 -","8","1","","Lawrence, Andrew L.; Adlington, Robert M.; Baldwin, Jack E.; Lee, Victor; Kershaw, Jessica A.; Thompson, Amber L.","A short biomimetic synthesis of the meroterpenoids guajadial and psidial A.","Organic letters","2010","12","8","1676","1679","10.1021/ol100138k","","","0.71073","MoKα","","0.0358","0.0323","","0.0751","0.0739","0.0751","","","","","","1.0045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503452","11.1498","0.0001","11.1498","0.0001","40.4482","0.0008","90","","90","","90","","5028.44","0.12","150","2","150","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","psidial A","","","- C30 H34 O5 -","- C30 H34 O5 -","- C240 H272 O40 -","8","1","","Shao, Meng; Wang, Ying; Liu, Zhong; Zhang, Dong-Mei; Cao, Hui-Hui; Jiang, Ren-Wang; Fan, Chun-Lin; Zhang, Xiao-Qi; Chen, He-Ru; Yao, Xin-Sheng; Ye, Wen-Cai","Psiguadials A and B, two novel meroterpenoids with unusual skeletons from the leaves of Psidium guajava.","Organic letters","2010","12","21","5040","5043","10.1021/ol102179u","","","1.54178","CuKα","","0.0386","0.0312","","","0.0687","0.0705","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503719","11.9124","0.0003","11.9124","0.0003","26.191","0.0013","90","","90","","90","","3716.6","0.2","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C44 H32 Br2 P2 Pd -","- C44 H32 Br2 P2 Pd -","- C176 H128 Br8 P8 Pd4 -","4","0.5","","Rubio-Pérez, Laura; Pérez-Flores, F Javier; Sharma, Pankaj; Velasco, Luis; Cabrera, Armando","Stable preformed chiral palladium catalysts for the one-pot asymmetric reductive amination of ketones.","Organic letters","2009","11","2","265","268","10.1021/ol802336m","","","0.71073","MoKα","","0.0354","0.0293","","","0.0567","0.0578","","","","","","0.936","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503847","11.865","0.002","11.865","0.002","19.328","0.004","90","","90","","90","","2721","0.9","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C13 H13 F6 N O -","- C13 H13 F6 N O -","- C104 H104 F48 N8 O8 -","8","1","","Ueki, Hisanori; Soloshonok, Vadim A.","New sterically driven mode for generation of helical chirality.","Organic letters","2009","11","8","1797","1800","10.1021/ol900357d","","","0.71073","MoKα","","0.0297","0.0282","","","0.0727","0.074","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503849","11.298","0.002","11.298","0.002","19.444","0.002","90","","90","","90","","2481.9","0.7","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C13 H19 N O -","- C13 H19 N O -","- C104 H152 N8 O8 -","8","1","","Ueki, Hisanori; Soloshonok, Vadim A.","New sterically driven mode for generation of helical chirality.","Organic letters","2009","11","8","1797","1800","10.1021/ol900357d","","","0.71073","MoKα","","0.0321","0.0314","","","0.1052","0.1068","","","","","","0.998","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504229","10.834","0.0002","10.834","0.0002","36.399","0.0009","90","","90","","90","","4272.35","0.15","150","1","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C184 H216 N8 O32 S8 -","8","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0696","0.0419","","","0.0848","0.0947","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506732","9.0402","0.0002","9.0402","0.0002","29.7809","0.001","90","","90","","90","","2433.85","0.11","298","","298","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Bbc-Phg-OMe","","","- C24 H24 N2 O8 -","- C24 H24 N2 O8 -","- C96 H96 N8 O32 -","4","0.5","","Ramesh, R.; Chandrasekaran, S.","But-2-ynylbisoxycarbonyl chloride: a novel C2-symmetric reagent for the protection of amines and amino acids.","Organic letters","2005","7","22","4947","4950","10.1021/ol051960z","","","0.71073","MoKα","","0.0638","0.0608","","","0.1285","0.13","","","","","","1.272","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506970","13.6603","0.0009","13.6603","0.0009","40.766","0.004","90","","90","","90","","7607.1","1","293.1","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(R)-1-(p-methylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","- C17 H24 N O2 P S -","- C17 H21 N O2 P S -","- C272 H336 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Morisawa, Fumi; Saigo, Kazuhiko","A new hydrogen-bonding motif for chiral recognition in the diastereomeric salts of racemic 1-phenylethylamine derivatives with enantiopure O-ethyl phenylphosphonothioic acid.","Organic letters","2004","6","23","4227","4230","10.1021/ol0483145","","","0.7107","MoKα","","","0.0586","","","","0.0575","","","","","","0.679","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506971","13.7121","0.0011","13.7121","0.0011","40.339","0.003","90","","90","","90","","7584.6","1","293.1","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","(R)-1-(p-chlorophenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","- C16 H21 Cl N O2 P S -","- C16 H21 Cl N O2 P S -","- C256 H336 Cl16 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Morisawa, Fumi; Saigo, Kazuhiko","A new hydrogen-bonding motif for chiral recognition in the diastereomeric salts of racemic 1-phenylethylamine derivatives with enantiopure O-ethyl phenylphosphonothioic acid.","Organic letters","2004","6","23","4227","4230","10.1021/ol0483145","","","0.7107","MoKα","","","0.0508","","","","0.0472","","","","","","0.556","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506972","13.8231","0.0008","13.8231","0.0008","39.921","0.003","90","","90","","90","","7628","0.8","123.1","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","(R)-1-(p-bromophenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","- C16 H21 Br N O2 P S -","- C16 H21 Br N O2 P S -","- C256 H336 Br16 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Morisawa, Fumi; Saigo, Kazuhiko","A new hydrogen-bonding motif for chiral recognition in the diastereomeric salts of racemic 1-phenylethylamine derivatives with enantiopure O-ethyl phenylphosphonothioic acid.","Organic letters","2004","6","23","4227","4230","10.1021/ol0483145","","","0.7107","MoKα","","","0.1041","","","","0.1137","","","","","","1.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507408","15.94","0.0018","15.94","0.0018","26.756","0.003","90","","90","","90","","6798.3","1.3","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C54 H76 Cl4 N4 Pd2 -","- C54 H76 Cl4 N4 Pd2 -","- C216 H304 Cl16 N16 Pd8 -","4","0.5","","Ma, Yudao; Song, Chun; Jiang, Wei; Xue, Guoping; Cannon, John F.; Wang, Xiaomei; Andrus, Merritt B.","Borylation of aryldiazonium ions with N-heterocyclic carbene-palladium catalysts formed without added base.","Organic letters","2003","5","24","4635","4638","10.1021/ol035857q","","","0.71073","MoKα","","0.0654","0.0424","","","0.0968","0.1104","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507701","15.1846","0.0003","15.1846","0.0003","46.045","0.0011","90","","90","","90","","10616.7","0.4","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C45 H70 N6 O9 -","- C45 H70 N6 O9 -","- C360 H560 N48 O72 -","8","1","","Guo, Li; Zhang, Weicheng; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","New preorganized γ-amino acids as foldamer building blocks.","Organic letters","2012","14","10","2582","2585","10.1021/ol3008815","","","1.54178","CuKα","","0.0832","0.0792","","","0.2197","0.2246","","","","","","0.998","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1510149","5.7317","","5.7317","","27.804","","90","","90","","90","","913.428","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Tl F2 (Au F4)","","- Au F6 Tl -","- Au F6 Tl -","- Au8 F48 Tl8 -","8","1","","Fitz, H.; Mueller, B.G.","Synthese und Struktur neuer Tetrafluroaurate(III), Tl F2 (Au F4), M2 F (Au F4)5 (M = Bi, La, Y) und Sm (Au F4)3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","126","132","10.1002/1521-3749(200201)628:1<126::AID-ZAAC126>3.0.CO;2-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510548","8.2289","","8.2289","","25.571","","90","","90","","90","","1731.54","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Bi2 F (Au F4)5","","- Au5 Bi2 F21 -","- Au5 Bi2 F21 -","- Au20 Bi8 F84 -","4","0.5","","Fitz, H.; Mueller, B.G.","Synthese und Struktur neuer Tetrafluroaurate(III), Tl F2 (Au F4), M2 F (Au F4)5 (M = Bi, La, Y) und Sm (Au F4)3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","126","132","10.1002/1521-3749(200201)628:1<126::AID-ZAAC126>3.0.CO;2-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510556","8.1726","","8.1726","","25.59","","90","","90","","90","","1709.19","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Gd2 F (Au F4)5","","- Au5 F21 Gd2 -","- Au5 F21 Gd2 -","- Au20 F84 Gd8 -","4","0.5","","Engelmann, U.; Mueller, B.G.","Tetrafluoroaurate(III) der Lanthaniden M2F(AuF4)5 (M= La, Pr, Nd, Sm, Gd)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","589","","51","61","10.1002/zaac.19905890106","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510559","8.368","","8.368","","26.022","","90","","90","","90","","1822.15","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","La2 F (Au F4)5","","- Au5 F21 La2 -","- Au5 F21 La2 -","- Au20 F84 La8 -","4","0.5","","Fitz, H.; Mueller, B.G.","Synthese und Struktur neuer Tetrafluroaurate(III), Tl F2 (Au F4), M2 F (Au F4)5 (M = Bi, La, Y) und Sm (Au F4)3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","126","132","10.1002/1521-3749(200201)628:1<126::AID-ZAAC126>3.0.CO;2-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510560","8.27","","8.27","","25.792","","90","","90","","90","","1763.99","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Nd2 F (Au F4)5","","- Au5 F21 Nd2 -","- Au5 F21 Nd2 -","- Au20 F84 Nd8 -","4","0.5","","Engelmann, U.; Mueller, B.G.","Tetrafluoroaurate(III) der Lanthaniden M2F(AuF4)5 (M= La, Pr, Nd, Sm, Gd)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","589","","51","61","10.1002/zaac.19905890106","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510561","8.3011","","8.3011","","25.885","","90","","90","","90","","1783.69","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Pr2 F (Au F4)5","","- Au5 F21 Pr2 -","- Au5 F21 Pr2 -","- Au20 F84 Pr8 -","4","0.5","","Mueller, B.G.; Engelmann, U.","Tetrafluoroaurate(III) der Lanthaniden M2F(AuF4)5 (M= La, Pr, Nd, Sm, Gd)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","589","","51","61","10.1002/zaac.19905890106","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510562","8.2173","","8.2173","","25.716","","90","","90","","90","","1736.45","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Sm2 F (Au F4)5","","- Au5 F21 Sm2 -","- Au5 F21 Sm2 -","- Au20 F84 Sm8 -","4","0.5","","Mueller, B.G.; Engelmann, U.","Tetrafluoroaurate(III) der Lanthaniden M2 F (Au F4)5 (M= La, Pr, Nd, Sm, Gd)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","589","","51","61","10.1002/zaac.19905890106","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510807","9.615","","9.615","","15.512","","90","","90","","90","","1434.06","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Pb2 B2 S5","","- B2 Pb2 S5 -","- B2 Pb2 S5 -","- B16 Pb16 S40 -","8","1","","Hardy, A.","Structure cristalline du thioborate de plomb, nouveau type structural","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1968","91","","111","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514023","9.6377","0.0002","9.6377","0.0002","35.9818","0.0007","90","","90","","90","","3342.18","0.12","150","1","150","1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C42.25 H37 N2 O6.25 -","- C42.25 H37.02 N2 O6.25 -","- C169 H148.08 N8 O25 -","4","0.5","","Ya-Jiun Shiao; Pei-Chen Chiang; Annamalai Senthilvelan; Ming-Tsung Tsai; Gene-Hsiang Lee; Wen-Sheng Chung","Capping the upper and lower rims of calix[4]arenes by aryl dinitrile oxide reactions","Tetrahedron Letters","2006","47","47","8383","8386","10.1016/j.tetlet.2006.09.070","","","0.71073","MoKα","","0.0563","0.0515","","","0.1355","0.1389","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515566","9.0398","0.0002","9.0398","0.0002","40.2263","0.0012","90","","90","","90","","3287.21","0.14","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C34 H62 Fe2 -","- C34 H62 Fe2 -","- C136 H248 Fe8 -","4","0.5","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","1.54178","CuKα","","0.0262","0.0253","","","0.0648","0.0653","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515790","16.2608","0.0016","16.2608","0.0016","34.648","0.005","90","","90","","90","","9161.4","1.8","167","2","167","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C50 H58 O4.5 P -","- C50 H58 O4.5 P -","- C400 H464 O36 P8 -","8","1","","Rueping, Magnus; Theissmann, Thomas","Asymmetric Brønsted acid catalysis in aqueous solution","Chemical Science","2010","1","4","473","","10.1039/c0sc00206b","","","0.71073","MoKα","","0.0993","0.0758","","","0.1158","0.1214","","","","","","1.296","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517192","31.2","0.0003","31.2","0.0003","25.3435","0.0004","90","","90","","90","","24670.4","0.5","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C158 H190 N48 Ni16 O60 S7 -","- C158 H134 N48 Ni16 O60 S7 -","- C632 H536 N192 Ni64 O240 S28 -","4","0.5","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54178","CuKα","","0.1485","0.1149","","","0.3125","0.3425","","","","","","1.172","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517825","6.041","0.003","6.041","0.003","14.068","0.007","90","","90","","90","","513.4","0.4","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Fe K3 O2 -","- Fe K3 O2 -","- Fe4 K12 O8 -","4","0.5","","Bernhardt, F.; Hoppe, R.","Das erste oxoferrat(I): zur konstitution von K3[FeO2] und K3[NiO2]","Zeitschrift fur Anorganische und Allgemeine Chemie","1993","619","","969","975","","","x-ray","0.71069","MoKα","","","0.0576","","","0.0533","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517826","6.036","0.001","6.036","0.001","14.059","0.005","90","","90","","90","","512.2","0.2","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- K3 Ni O2 -","- K3 Ni O2 -","- K12 Ni4 O8 -","4","0.5","","Bernhardt, F.; Hoppe, R.","Das erste oxoferrat(I): zur konstitution von K3[FeO2] und K3[NiO2]","Zeitschrift fur Anorganische und Allgemeine Chemie","1993","619","","969","975","","","","0.71069","MoKα","","","0.087","","","0.0425","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519862","9.4197","0.0001","9.4197","0.0001","42.348","0.0009","90","","90","","90","","3757.57","0.1","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C15 H17 Cl2 N4 O P3 -","- C15 H17 Cl2 N4 O P3 -","- C120 H136 Cl16 N32 O8 P24 -","8","1","","Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.","C15H17Cl2N4OP3","Crystal Structure Report Archive","2007","","","302","","","","","0.71073","MoKα","","0.0886","0.0563","","","0.1448","0.1695","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520291","15.3066","0.0007","15.3066","0.0007","43.17","0.003","90","","90","","90","","10114.4","1","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 Er N3 O12 P3 -","- C36 H81 Er N3 O12 P3 -","- C288 H648 Er8 N24 O96 P24 -","8","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.; Lamond, Steven J.","C36H81ErN3O12P3","Crystal Structure Report Archive","2009","","","1243","","","","","0.71073","MoKα","","0.1423","0.0637","","","0.1138","0.137","","","","","","1.042","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520331","15.2683","0.0004","15.2683","0.0004","43.334","0.0016","90","","90","","90","","10102.1","0.5","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 Gd N3 O12 P3 -","- C36 H81 Gd N3 O12 P3 -","- C288 H648 Gd8 N24 O96 P24 -","8","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81GdN3O12P3","Crystal Structure Report Archive","2009","","","1237","","","","","0.71073","MoKα","","0.09","0.0516","","","0.1058","0.1208","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520332","15.247","0.0005","15.247","0.0005","43.4821","0.0018","90","","90","","90","","10108.3","0.6","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 N3 O12 P3 Sm -","- C36 H81 N3 O12 P3 Sm -","- C288 H648 N24 O96 P24 Sm8 -","8","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81N3O12P3Sm","Crystal Structure Report Archive","2009","","","1238","","","","","0.71073","MoKα","","0.1415","0.0823","","","0.1537","0.1777","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520337","15.2959","0.0006","15.2959","0.0006","43.217","0.002","90","","90","","90","","10111.2","0.7","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 Ho N3 O12 P3 -","- C36 H81 Ho N3 O12 P3 -","- C288 H648 Ho8 N24 O96 P24 -","8","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81HoN3O12P3","Crystal Structure Report Archive","2009","","","1244","","","","","0.71073","MoKα","","0.0857","0.0588","","","0.1385","0.1538","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520671","9.6557","0.0017","9.6557","0.0017","26.319","0.004","90","","90","","90","","2453.8","0.7","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C120 H128 O24 -","8","1","","Shi, Yu-Sheng; Liu, Yun-Bao; Ma, Shuang-Gang; Li, Yong; Qu, Jing; Li, Li; Yuan, Shao-Peng; Hou, Qi; Li, Yu-Huan; Jiang, Jian-Dong; Yu, Shi-Shan","Bioactive Sesquiterpenes and Lignans from the Fruits of Xanthium sibiricum.","Journal of natural products","2015","78","7","1526","1535","10.1021/np500951s","","","1.54184","CuKα","","0.0358","0.0334","","","0.0821","0.0839","","","","","","1.025","","","","has coordinates","154671","2020-10-21","18:00:00",""
"1524660","10.161","","10.161","","14.283","","90","","90","","90","","1474.66","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","(Al B12)16.61","","- Al13.36 B176 -","- Al13.36 B176 -","- Al13.36 B176 -","1","0.125","","Kasper, J.S.; Vlasse, M.; Naslain, R.","The alpha-Al B12 structure","Journal of Solid State Chemistry","1977","20","","281","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","145459","2020-10-21","18:00:00",""
"1525065","6.619","","6.619","","12.36","","90","","90","","90","","541.506","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Sc2 Re3 Si4","","- Re3 Sc2 Si4 -","- Re3 Sc2 Si4 -","- Re12 Sc8 Si16 -","4","0.5","","Pecharskii, V.K.; Gladyshevskii, E.I.; Bodak, O.I.","Scandium rhenium silicide (Sc2 Re3 Si4 - the first representive of zirconium silicide (Zr5 Si4) structure type among ternary silicides","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1978","40","","755","759","","","","","","","","","","","","","","","","","","","","","","has coordinates","145958","2020-10-21","18:00:00",""
"1527379","6.926","","6.926","","18.414","","90","","90","","90","","883.31","","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Ni Se O4 (H2 O)6","","- H12 Ni O10 Se -","- H12 Ni O10 Se -","- H48 Ni4 O40 Se4 -","4","0.5","","Fuess, H.","Die Kristallstruktur von Nickelselenat-hexahydrat","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","379","","204","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","206183","2020-10-21","18:00:00",""
"1528082","6.778","","6.778","","12.34","","90","","90","","90","","566.915","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Er2 (Ge2 O7)","","- Er2 Ge2 O7 -","- Er2 Ge2 O7 -","- Er8 Ge8 O28 -","4","0.5","","Smolin, Yu.I.","Determination of the crystal structure of erbium pyrogermanate, Er2 Ge2 O7","Kristallografiya","1970","15","","47","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","149968","2020-10-21","18:00:00",""
"1528485","6.562","","6.562","","11.9535","","90","","90","","90","","514.716","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Lu2 (Si2 O7)","","- Lu2 O7 Si2 -","- Lu2 O7 Si2 -","- Lu8 O28 Si8 -","4","0.5","","Fleet, M.; Liu, X","High-pressure rare earth silicates: lanthanum silicate with barium phosphate structure, holmium silicate apatite, and lutetium disilicate type X","Journal of Solid State Chemistry","2005","178","","3275","3283","","","","","","","","","","","","","","","","","","","","","","has coordinates","150778","2020-10-21","18:00:00",""
"1528612","8.332","","8.332","","25.113","","90","","90","","90","","1743.4","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- Fe2 O3 -","- Fe2 O3 -","- Fe64 O96 -","32","4","","Jorgensen, J.E.; Mosegaard, L.; Hanson, J.C.; Jensen, T.R.; Thomsen, L.E.","Formation of gamma-Fe2 O3 nanoparticles and vacancy ordering: an in situ x-ray powder diffraction study","Journal of Solid State Chemistry","2007","180","","180","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528620","6.8","","6.8","","6.8","","90","","90","","90","","314.432","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- H2 O -","- H2 O -","- H24 O12 -","12","1.5","","Kamb, W.B.; Datta, S.K.","Crystal structures of the high-pressure froms of ice: Ice III","Nature (London)","1960","187","","140","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530109","6.7648","","6.7648","","12.3489","","90","","90","","90","","565.117","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Ba Pt2 S3 -","- Ba Pt2 S3 -","- Ba4 Pt8 S12 -","4","0.5","","Huster, J.","Darstellung und Struktur des Bariumthioplatinats(II), Ba Pt2 S3","Journal of the Less-Common Metals","1982","84","","125","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530533","9.597","","9.597","","16.532","","90","","90","","90","","1522.64","","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Pb3 Cr2 (P O4)4","","- Cr2 O16 P4 Pb3 -","- Cr2 O16 P4 Pb3 -","- Cr8 O64 P16 Pb12 -","4","0.5","","Palkina, K.; Saifuddinov, V.Z.; Lavrov, A.V.","Synthesis and structure of Pb3 Cr2 (P O4)4","Doklady Akademii Nauk SSSR","1977","237","","1090","1093","","","","","","","","","","","","","","","","","","","","","","has coordinates","155662","2020-10-21","18:00:00",""
"1530755","6.848","","6.848","","14.564","","90","","90","","90","","682.98","","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Li3 (B5 O8 (O H)2)","","- B5 H2 Li3 O10 -","- B5 H2 Li3 O10 -","- B20 H8 Li12 O40 -","4","0.5","","Sheviren, A.A.; Muradyan, L.A.; Egorov-Tismenko, Yu.K.; Simonov, V.I.; Simonov, M.A.; Belov, N.V.","The deformation electronic density in lithium borate Li3 B5 O8 (O H)2","Doklady Akademii Nauk SSSR","1981","257","","111","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530871","4.8082","","4.8082","","7.612","","90","","90","","90","","175.98","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Te O2","","- O2 Te -","- O2 Te -","- O8 Te4 -","4","0.5","","Thomas, P.A.","The crystal structure and absolute optical chirality of paratellurite, alpha-Te O2","Journal of Physics C","1988","21","","4611","4627","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531836","6.997","","6.997","","12.878","","90","","90","","90","","630.481","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Gd1.9 Ti3 Si4","","- Gd1.9 Si4 Ti3 -","- Gd1.9 Si4 Ti3 -","- Gd7.6 Si16 Ti12 -","4","0.5","","Morozkin, A.V.; Welter, R.","New (Sc2 Re3 Si4)-type R2 Ti3 Si4 compounds and their magnetic properties (R = Gd - Er)","Journal of Alloys Compd.","2003","348","","L1","L3","","","","","","","","","","","","","","","","","","","","","","has coordinates","157416","2020-10-21","18:00:00",""
"1531839","7.006","","7.006","","12.875","","90","","90","","90","","631.957","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Tb2 Ti3 Si4","","- Si4 Tb2 Ti3 -","- Si4 Tb2 Ti3 -","- Si16 Tb8 Ti12 -","4","0.5","","Morozkin, A.V.; Welter, R.","New (Sc2 Re3 Si4)-type R2 Ti3 Si4 compounds and their magnetic properties (R = Gd - Er)","Journal of Alloys Compd.","2003","348","","L1","L3","","","","","","","","","","","","","","","","","","","","","","has coordinates","157419","2020-10-21","18:00:00",""
"1531842","6.977","","6.977","","12.814","","90","","90","","90","","623.767","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Dy2 Ti3 Si4","","- Dy2 Si4 Ti3 -","- Dy2 Si4 Ti3 -","- Dy8 Si16 Ti12 -","4","0.5","","Morozkin, A.V.; Welter, R.","New (Sc2 Re3 Si4)-type R2 Ti3 Si4 compounds and their magnetic properties (R = Gd - Er)","Journal of Alloys Compd.","2003","348","","L1","L3","","","","","","","","","","","","","","","","","","","","","","has coordinates","157422","2020-10-21","18:00:00",""
"1531845","6.97","","6.97","","12.793","","90","","90","","90","","621.495","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Ho2 Ti3 Si4","","- Ho2 Si4 Ti3 -","- Ho2 Si4 Ti3 -","- Ho8 Si16 Ti12 -","4","0.5","","Morozkin, A.V.; Welter, R.","New (Sc2 Re3 Si4)-type R2 Ti3 Si4 compounds and their magnetic properties (R = Gd - Er)","Journal of Alloys Compd.","2003","348","","L1","L3","","","","","","","","","","","","","","","","","","","","","","has coordinates","157425","2020-10-21","18:00:00",""
"1531848","6.964","","6.964","","12.776","","90","","90","","90","","619.601","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Er2 Ti3 Si4","","- Er2 Si4 Ti3 -","- Er2 Si4 Ti3 -","- Er8 Si16 Ti12 -","4","0.5","","Morozkin, A.V.; Welter, R.","New (Sc2 Re3 Si4)-type R2 Ti3 Si4 compounds and their magnetic properties (R = Gd - Er)","Journal of Alloys Compd.","2003","348","","L1","L3","","","","","","","","","","","","","","","","","","","","","","has coordinates","157428","2020-10-21","18:00:00",""
"1532392","8.0467","","8.0467","","15.4476","","90","","90","","90","","1000.22","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- La5 Si4 -","- La5 Si4 -","- La20 Si16 -","4","0.5","","Yang, H.F.; Rao, G.-H.; Chu, W.G.; Liu, G.Y.; Ouyang, Z.W.; Liang, J.K.","The crystal structure of La5 Si4 and Nd5 Si4","Journal of Alloys Compd.","2002","334","","131","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532393","7.8694","","7.8694","","14.8077","","90","","90","","90","","917.003","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- Nd5 Si4 -","- Nd5 Si4 -","- Nd20 Si16 -","4","0.5","","Yang, H.F.; Rao, G.-H.; Ouyang, Z.W.; Chu, W.G.; Liu, G.Y.; Liang, J.K.","The crystal structure of La5 Si4 and Nd5 Si4","Journal of Alloys Compd.","2002","334","","131","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532399","7.9068","","7.9068","","14.7907","","90","","90","","90","","924.677","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Nd5 Si2.8 Ge1.2","","- Ge1.2 Nd5 Si2.8 -","- Ge1.2 Nd5 Si2.8 -","- Ge4.8 Nd20 Si11.2 -","4","0.5","","Yang, H.F.; Ouyang, Z.W.; Rao, G.-H.; Chu, W.G.; Liu, G.Y.; Liu, W.F.; Feng, X.M.; Liang, J.K.","Crystal structure and phase relationships in the pseudobinary system (RE5 Si4) - (RE5 Ge4) (RE = Nd and Pr) at 1273 K","Journal of Alloys Compd.","2003","348","","150","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","158105","2020-10-21","18:00:00",""
"1532400","7.9304","","7.9304","","14.7661","","90","","90","","90","","928.658","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Nd5 Si2 Ge2","","- Ge2 Nd5 Si2 -","- Ge2 Nd5 Si2 -","- Ge8 Nd20 Si8 -","4","0.5","","Yang, H.F.; Rao, G.-H.; Liu, W.F.; Liu, G.Y.; Liang, J.K.; Ouyang, Z.W.; Feng, X.M.; Chu, W.G.","Crystal structure and phase relationships in the pseudobinary system (RE5 Si4) - (RE5 Ge4) (RE = Nd and Pr) at 1273 K","Journal of Alloys Compd.","2003","348","","150","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","158107","2020-10-21","18:00:00",""
"1532401","7.9725","","7.9725","","14.8855","","90","","90","","90","","946.134","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Pr5 Si2 Ge2","","- Ge2 Pr5 Si2 -","- Ge2 Pr5 Si2 -","- Ge8 Pr20 Si8 -","4","0.5","","Yang, H.F.; Rao, G.-H.; Liu, W.F.; Ouyang, Z.W.; Liu, G.Y.; Chu, W.G.; Liang, J.K.; Feng, X.M.","Crystal structure and phase relationships in the pseudobinary system (RE5 Si4) - (RE5 Ge4) (RE = Nd and Pr) at 1273 K","Journal of Alloys Compd.","2003","348","","150","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","158108","2020-10-21","18:00:00",""
"1532843","7.687","","7.687","","20.529","","90","","90","","90","","1213.06","","","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(Na2 Zn (P2 O7)) (H Cl)","","- Cl H Na O7 P2 Zn -","- Cl H Na O7 P2 Zn -","- Cl8 H8 Na8 O56 P16 Zn8 -","8","1","","Mahendra, M.; Doreswamy, B.H.; Madhu, S.P.; Sridhar, M.A.; Gopalakrishnan, G.S.; Prasad, J.S.; Ashamanjari, K.G.","Hydrothermal synthesis, crystal structure and characterisation of Na2 Zn P2 O7 * (H Cl)","Materials Research Bulletin","2003","38","","1309","1317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533249","7.9092","","7.9092","","14.9437","","90","","90","","90","","934.81","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- Pr5 Si4 -","- Pr5 Si4 -","- Pr20 Si16 -","4","0.5","","Yang, H.F.; Rao, G.H.; Chu, W.G.; Liu, G.Y.; Ouyang, Z.W.; Liu, W.F.; Feng, X.M.; Liang, J.K.","Crystal structure and magnetic properties of Pr5 Si4-x Gex compounds","Journal of Magnetism and Magnetic Materials","2003","263","","146","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535790","7.057","","7.057","","25.566","","90","","90","","90","","1273.22","","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(Sr1.5 Cd0.5) (V2 O7)","","- Cd0.5 O7 Sr1.5 V2 -","- Cd0.5 O7 Sr1.5 V2 -","- Cd4 O56 Sr12 V16 -","8","1","","Murashova, E.V.; Velikodnyi, Yu.A.; Ilyukhin, A.B.; Zhuravlev, V.D.","Crystal structures of Sr1.58Ca0.42V2O7 and Sr1.5Cd0.5V2O7 and the features of their isomorphism","Zhurnal Neorganicheskoi Khimii","1993","38","","428","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","163256","2020-10-21","18:00:00",""
"1536432","6.702","","6.702","","12.175","","90","","90","","90","","546.862","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Lu2 (Ge2 O7)","","- Ge2 Lu2 O7 -","- Ge2 Lu2 O7 -","- Ge8 Lu8 O28 -","4","0.5","","Palkina, K.K.; Kuz'mina, N.E.; Dzhurinskii, B.F.","Lutetium digermanate Lu2 Ge2 O7","Zhurnal Neorganicheskoi Khimii","1995","40","","1449","1451","","","","","","","","","","","","","","","","","","","","","","has coordinates","164138","2020-10-21","18:00:00",""
"1537586","4.8122","","4.8122","","7.6157","","90","","90","","90","","176.359","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Te O2","","- O2 Te -","- O2 Te -","- O8 Te4 -","4","0.5","","Lindqvist, O.","Refinement of the structure of alpha-Te O2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","977","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541180","7.434","","7.434","","21.793","","90","","90","","90","","1204.38","","","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(Ca0.93 Y0.07) (Y0.9 Gd0.1) (C O3)2 (O H) (H2 O)","","- C2 H3 Ca0.93 Gd0.1 O8 Y0.97 -","- C2 Ca0.93 Gd0.1 O8 Y0.97 -","- C16 Ca7.44 Gd0.8 O64 Y7.76 -","8","1","","Romming, C.; Petricek, V.; Kocharian, A.K.; Raade, G.; Bailey, S.W.","The crystal structure of kamphaugite-(Y)","European Journal of Mineralogy (1,1989-)","1993","5","","685","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","172442","2020-10-21","18:00:00",""
"1542314","15.0258","0.0002","15.0258","0.0002","24.0607","0.0007","90","","90","","90","","5432.3","0.19","295","2","295","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C29 H38 O8 -","- C29 H38 O8 -","- C232 H304 O64 -","8","1","","Chen, Chien-Chih; Tzeng, Tsai-Teng; Chen, Chin-Chu; Ni, Ching-Li; Lee, Li-Ya; Chen, Wan-Ping; Shiao, Young-Ji; Shen, Chien-Chang","Erinacine S, a Rare Sesterterpene from the Mycelia of Hericium erinaceus.","Journal of natural products","2016","79","2","438","441","10.1021/acs.jnatprod.5b00474","","","1.54178","CuKα","","0.0732","0.0508","","","0.1237","0.1403","","","","","","1.025","","","","has coordinates","177412","2020-10-21","18:00:00",""
"1543021","8.2087","0.0001","8.2087","0.0001","44.2189","0.0005","90","","90","","90","","2979.59","0.06","173","2","173","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C152 H144 O40 -","8","1","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.0325","0.0323","","","0.084","0.0843","","","","","","1.092","","","","has coordinates","182530","2020-10-21","18:00:00",""
"1544178","10.848","0.0005","10.848","0.0005","29.771","0.003","90","","90","","90","","3503.4","0.4","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C35 H35 Co2 N5 O9 -","- C35 H35 Co2 N5 O9 -","- C140 H140 Co8 N20 O36 -","4","0.5","","Satska, Yulia A.; Mikhalyova, Elena A.; Chernenko, Zhanna V.; Kolotilov, Sergey V.; Zeller, Matthias; Komarov, Igor V.; Tymtsunik, Andriy V.; Tolmachev, Andrey; Gavrilenko, Konstantin S.; Addison, Anthony W.","Sorption discrimination between secondary alcohol enantiomers by chiral alkyl-dicarboxylate MOFs","RSC Advances","2016","6","96","93707","93714","10.1039/C6RA09353A","","","0.71073","MoKα","","0.0529","0.042","","","0.088","0.0945","","","","","","1.075","","","","has coordinates,has disorder","282777","2023-04-20","11:56:45",""
"1544766","8.6944","0.0001","8.6944","0.0001","35.2843","0.0007","90","","90","","90","","2667.23","0.07","100","1","100","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","2-Amino-5-bromopyridinium 2-phenoxyacetate","","- C13 H13 Br N2 O3 -","- C13 H13 Br N2 O3 -","- C104 H104 Br8 N16 O24 -","8","1","IS5465","Dhanabalan, Nallathambi; Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Santhanaraj, K. Joseph; Razak, Ibrahim Abdul","2-Amino-5-bromopyridinium 2-phenoxyacetate","IUCrData","2016","1","12","x161939","","10.1107/S2414314616019398","","","0.71073","MoKα","","0.0626","0.0423","","","0.0679","0.0779","","","","","","1.165","","","","has coordinates,has Fobs","189037","2020-10-21","18:00:00",""
"1544903","9.1556","0.0003","9.1556","0.0003","66.051","0.004","90","","90","","90","","5536.7","0.4","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C29 H31 N3 O3 Pd -","- C29 H31 N3 O3 Pd -","- C232 H248 N24 O24 Pd8 -","8","1","","Huang, Yingda; He, Jianyun; Liu, Zhanxiong; Cai, Guilong; Zhang, Shaowen; Li, Xiaofang","A highly active chiral (S,S)-bis(oxazoline) Pd(ii) alkyl complex/activator catalytic system for vinyl polymerization of norbornene in air and water","Polym. Chem.","2017","8","7","1217","","10.1039/C6PY01859A","","","0.71073","MoKα","","0.0534","0.0492","","","0.1172","0.1193","","","","","","1.176","","","","has coordinates","193920","2020-10-21","18:00:00",""
"1545136","13.9189","0.0005","13.9189","0.0005","12.9169","0.0005","90","","90","","90","","2502.47","0.16","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C11 H6 Br F3 O3 S -","- C11 H6 Br F3 O3 S -","- C88 H48 Br8 F24 O24 S8 -","8","1","","Li, Minghao; Petersen, Jeffrey L.; Hoover, Jessica M.","Silver-Mediated Oxidative Decarboxylative Trifluoromethylthiolation of Coumarin-3-carboxylic Acids.","Organic letters","2017","19","3","638","641","10.1021/acs.orglett.6b03806","","","0.71073","MoKα","","0.0313","0.0261","","","0.0591","0.0609","","","","","","1.065","","","","has coordinates","191387","2020-10-21","18:00:00",""
"1545497","7.5446","0.0001","7.5446","0.0001","27.6498","0.0005","90","","90","","90","","1573.85","0.04","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate)","","- C6 H11 N O6 -","- C6 H11 N O6 -","- C48 H88 N8 O48 -","8","1","BT4039","Asserar, Fatima; Guenoun, Farhate; Sekkat, Chakib; Labrim, Hicham; Marah, Hamid; Zouihri, Hafid; Yamni, Khalid","Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate)","IUCrData","2017","2","2","x170249","","10.1107/S2414314617002498","","","0.71073","MoKα","","0.0584","0.0405","","","0.1077","0.1171","","","","","","1.115","","","","has coordinates,has Fobs","193959","2020-10-21","18:00:00",""
"1545726","8.9474","0.0003","8.9474","0.0003","41.253","0.004","90","","90","","90","","3302.5","0.4","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C34 H58 Fe2 N2 -","- C34 H58 Fe2 N2 -","- C136 H232 Fe8 N8 -","4","0.5","","Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D.","Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation","Chem. Sci.","2017","","","","","10.1039/C7SC00570A","","","0.71073","MoKα","","0.0399","0.0328","","","0.0616","0.0636","","","","","","1.062","","","","has coordinates","195335","2020-10-21","18:00:00",""
"1547856","9.69345","0.0001","9.69345","0.0001","32.9728","0.0004","90","","90","","90","","3098.22","0.06","146","1","146","1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","(-)-19-Oxoisoeburnamine","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C152 H176 N16 O16 -","8","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0273","0.0268","","","0.0674","0.0676","","","","","","1.079","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1548479","12.8285","0.0006","12.8285","0.0006","18.0935","0.0009","90","","90","","90","","2977.7","0.2","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C112 H184 N8 O24 -","8","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0633","0.0386","","","0.0793","0.0883","","","","","","1.021","","","","has coordinates","204347","2020-10-21","18:00:00",""
"1548493","9.0035","0.0013","9.0035","0.0013","14.39","0.002","90","","90","","90","","1166.5","0.3","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C3 H4 Br Cl0 O2 Pb -","- C3 H4 Br O2 Pb -","- C24 H32 Br8 O16 Pb8 -","8","1","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.0601","0.0588","","","0.1522","0.1537","","","","","","1.053","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548495","8.9917","0.0008","8.9917","0.0008","14.354","0.003","90","","90","","90","","1160.5","0.3","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C3 H4 Br O2 Pb -","- C3 H4 Br O2 Pb -","- C24 H32 Br8 O16 Pb8 -","8","1","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.068","0.0679","","","0.2263","0.2265","","","","","","1.242","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1550971","16.163","0.0005","16.163","","16.4362","0.0006","90","","90","","90","","4293.8","0.2","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C46.03 H70.75 B2 N5 Zn -","- C46.026 H70.744 B2 N5 Zn -","- C184.104 H282.976 B8 N20 Zn4 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0785","0.0509","","","0.1257","0.14","","","","","","1.03","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1551372","10.4819","0.0003","10.4819","0.0003","57.62","0.002","90","","90","","90","","6330.7","0.3","147","2","147","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C28 H42 N7 O6.5 -","- C28 H42 N7 O6.5 -","- C224 H336 N56 O52 -","8","1","","John R. Frost; Conor C. G. Scully; Andrei K. Yudin","Oxadiazole grafts in peptide macrocycles","Nature Chemistry","2016","8","","1105","1111","10.1038/nchem.2636","","","1.54178","CuKα","","0.0399","0.0386","","","0.0992","0.1","","","","","","1.082","","","","has coordinates,has disorder","215890","2020-10-21","18:00:00",""
"1552252","13.4206","0.0009","13.4206","0.0009","35.17","0.003","90","","90","","90","","6334.6","0.8","100","","100","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C63 H65 B F24 Ir N P2 -","- C63 H65 B F24 Ir N P2 -","- C252 H260 B4 F96 Ir4 N4 P8 -","4","0.5","","Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden","Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes","Chemical Science","2019","","","","","10.1039/C9SC03076J","","","1.54178","CuKα","","0.0727","0.0564","","0.1381","0.132","0.1381","","","","","","0.9586","","","","has coordinates,has disorder","217624","2020-10-21","18:00:00",""
"1552696","11.05762","0.00002","11.05762","0.00002","32.17474","0.00013","90","","90","","90","","3934.04","0.019","100","0.1","100","0.1","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C41 H64 O9 -","- C41 H64 O9 -","- C164 H256 O36 -","4","0.5","","Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus <i>Stachybotrys chartarum</i>.","Journal of natural products","2019","82","7","1923","1929","10.1021/acs.jnatprod.9b00305","","x-ray","1.54184","CuKα","","0.0274","0.0274","","","0.0724","0.0724","","","","","","1.063","","","","has coordinates,has disorder","222221","2020-10-21","18:00:00",""
"1553575","21.2715","0.0003","21.2715","0.0003","64.3247","0.0014","90","","90","","90","","29105.4","0.9","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","azahelicene dimer","","- C153.47 H187.47 Cl4.41 N2 Si8 -","- C153.47 H187.479 Cl4.41 N2 Si8 -","- C1227.76 H1499.83 Cl35.28 N16 Si64 -","8","1","","Ushiyama, Ayako; Hiroto, Satoru; Yuasa, Junpei; Kawai, Tsuyoshi; Shinokubo, Hiroshi","Synthesis of a figure-eight azahelicene dimer with high emission and CPL properties","Organic Chemistry Frontiers","2017","4","5","664","","10.1039/C6QO00629A","","","0.71073","MoKα","","0.1947","0.1475","","","0.3637","0.4128","","","","","","1.172","","","","has coordinates,has disorder","235160","2020-10-21","18:00:00",""
"1554043","16.5192","0.0006","16.5192","0.0006","46.471","0.003","90","","90","","90","","12681.2","1","200","2","200.15","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C45.5 Cl6 Eu P3 -","- C45.5 Cl6 Eu P3 -","- C364 Cl48 Eu8 P24 -","8","1","","Alvarez-Vicente, Jorge; Dandil, Sahra; Banerjee, Dipanjan; Gunaratne, H. Q. Nimal; Gray, Suzanne; Felton, Solveig; Srinivasan, Geetha; Kaczmarek, Anna M.; Van Deun, Rik; Nockemann, Peter","Easily Accessible Rare-Earth-Containing Phosphonium Room-Temperature Ionic Liquids: EXAFS, Luminescence, and Magnetic Properties.","The journal of physical chemistry. B","2016","120","23","5301","5311","10.1021/acs.jpcb.6b03870","","","0.71073","MoKα","","0.1469","0.1267","","","0.2721","0.2823","","","","","","1.198","","","","has coordinates","236484","2020-10-21","18:00:00",""
"1554096","11.3983","0.0004","11.3983","0.0004","36.807","0.003","90","","90","","90","","4782","0.5","296.15","","296.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H23 Br N2 O4 -","- C26 H23 Br N2 O4 -","- C208 H184 Br8 N16 O32 -","8","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.085","0.0432","","","0.0783","0.0906","","","","","","1.071","","","","has coordinates","236564","2020-10-21","18:00:00",""
"1554335","12.0535","0.0003","12.0535","0.0003","43.8649","0.0013","90","","90","","90","","6373","0.3","139.05","0.1","139.05","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C34 H35 Cl2 Fe N3 O4 -","- C34 H35 Cl2 Fe N3 O4 -","- C272 H280 Cl16 Fe8 N24 O32 -","8","1","","Zhang, Yuehua; Wang, Chunting; Huang, Wei; Haruehanroengra, Phensinee; Peng, Cheng; Sheng, Jia; Han, Bo; He, Gu","Application of organocatalysis in bioorganometallic chemistry: asymmetric synthesis of multifunctionalized spirocyclic pyrazolone‒ferrocene hybrids as novel RalA inhibitors","Organic Chemistry Frontiers","2018","5","14","2229","","10.1039/C8QO00422F","","x-ray","1.54184","CuKα","","0.0745","0.063","","","0.1467","0.1552","","","","","","1.07","","","","has coordinates","237136","2020-10-21","18:00:00",""
"1554748","13.41045","0.0001","13.41045","0.0001","40.0935","0.0005","90","","90","","90","","7210.42","0.12","120","0.16","120","0.16","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C40 H34 I3 N3 -","- C40 H34 I3 N3 -","- C320 H272 I24 N24 -","8","1","","Anhäuser, J.; Puttreddy, R.; Lorenz, Y.; Schneider, A.; Engeser, M.; Rissanen, K.; Lützen, A.","Chiral self-sorting behaviour of [2.2]paracyclophane-based bis(pyridine) ligands","Organic Chemistry Frontiers","2019","6","8","1226","","10.1039/C9QO00155G","","x-ray","0.71073","MoKα","","0.0551","0.0448","","","0.1136","0.1189","","","","","","1.106","","","","has coordinates","238098","2020-10-21","18:00:00",""
"1555952","9.2923","0.0006","9.2923","0.0006","38.5","0.003","90","","90","","90","","3324.4","0.4","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H16 Cl4 O4 -","- C14 H16 Cl4 O4 -","- C112 H128 Cl32 O32 -","8","1","","Sarkar, Rahul; Mukherjee, Santanu","Catalytic Enantioselective Desymmetrization of Norbornenoquinones via C(sp<sup>2</sup>)-H Alkylation.","Organic letters","2016","18","23","6160","6163","10.1021/acs.orglett.6b03168","","","0.71073","MoKα","","0.0267","0.0242","","","0.0548","0.0558","","","","","","0.926","","","","has coordinates","239273","2020-10-21","18:00:00",""
"1556333","14.483","0.002","14.483","0.002","58.042","0.012","90","","90","","90","","12175","3","200","2","200","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C54 H84 B Cl2 F4 P6 Rh3 -","- C54 H84 B Cl2 F4 P6 Rh3 -","- C432 H672 B8 Cl16 F32 P48 Rh24 -","8","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0326","0.0251","","","0.0423","0.0432","","","","","","0.876","","","","has coordinates","244217","2020-10-21","18:00:00",""
"1556343","13.6143","0.0003","13.6143","0.0003","38.6616","0.0008","90","","90","","90","","7165.9","0.3","100","","100","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C80 H102 Al Cl N4 O6 S2 -","- C80 H102 Al Cl N4 O6 S2 -","- C320 H408 Al4 Cl4 N16 O24 S8 -","4","0.5","","Ternel, Jérémy; Roussel, Pascal; Agbossou-Niedercorn, Francine; Gauvin, Régis M.","Dismantling the salen framework: design of new asymmetric silylcyanation catalysts","Catal. Sci. Technol.","2013","3","3","580","","10.1039/C2CY20818K","","","0.71073","MoKα","","0.1165","0.0828","","0.172","0.0849","0.0751","","","","","","1.0916","","","","has coordinates","244219","2020-10-21","18:00:00",""
"1556346","7.9553","0.0006","7.9553","0.0006","18.7605","0.0013","90","","90","","90","","1187.29","0.15","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","(H2im)2SO4.2H2O","IMIDAZOLIUM SULFATE DIHYDRATE","","- C6 H14 N4 O6 S -","- C6 H14 N4 O6 S -","- C24 H56 N16 O24 S4 -","4","0.5","","Cliffe, Matthew J.; Mottillo, Cristina; Stein, Robin S.; Bučar, Dejan-Krešimir; Friščić, Tomislav","Accelerated aging: a low energy, solvent-free alternative to solvothermal and mechanochemical synthesis of metal‒organic materials","Chemical Science","2012","3","8","2495","","10.1039/c2sc20344h","","","0.71073","MoKα","","0.0274","0.0256","","","0.0701","0.0711","","","","","","1.102","","","","has coordinates","244374","2020-10-21","18:00:00",""
"1556894","5.4053","0.0004","5.4053","0.0004","13.4853","0.0014","90","","90","","90","","394","0.06","293","","293","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Pyridine III","","- C5 H5 N -","- C5 H5 N -","- C20 H20 N4 -","4","0.5","","Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon","High-pressure polymorphism in pyridine","IUCrJ","2020","7","1","58","70","10.1107/S2052252519015616","","","0.49594","synchrotron","","0.0786","0.0755","","","0.1864","0.1956","","","","","","1.137","","","","has coordinates","246422","2020-10-21","18:00:00",""
"1558031","7.749","0.0003","7.749","0.0003","22.032","0.0011","90","","90","","90","","1322.96","0.1","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","0.5","","Heywood, Victoria L.; Alford, Thomas P. J.; Roeleveld, Julius J.; Lekanne Deprez, Siebe J.; Verhoofstad, Abraham; van der Vlugt, Jarl Ivar; Domingos, Sérgio R.; Schnell, Melanie; Davis, Anthony P.; Mooibroek, Tiddo J.","Observations of tetrel bonding between sp3-carbon and THF","Chemical Science","2020","11","20","5289","5293","10.1039/D0SC01559H","","","0.71073","MoKα","","0.0468","0.0409","","","0.1126","0.1171","","","","","","0.975","","","","has coordinates","257344","2020-10-21","18:00:00",""
"1558665","15.3125","0.0002","15.3125","0.0002","23.868","0.0004","90","","90","","90","","5596.39","0.14","100.01","0.11","100.01","0.11","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C54 H65 N6 O5 -","- C54 H65 N6 O5 -","- C216 H260 N24 O20 -","4","0.5","","Heo, Nam Jung; Sessler, Jonathan L.; Ko, Byoung Joon; Kim, Sung Kuk; Yang, Ju Ho; Lynch, Vincent","Capture and displacement-based release of the bicarbonate anion by calix[4]pyrroles with small rigid straps","Chemical Science","2020","","","","","10.1039/D0SC03445B","","x-ray","1.54184","CuKα","","0.0891","0.0802","","","0.2419","0.2557","","","","","","1.054","","","","has coordinates,has disorder","254568","2020-10-21","18:00:00",""
"1558833","19.22628","0.00009","19.22628","0.00009","26.5819","0.0002","90","","90","","90","","9826","0.1","89.9","0.4","89.9","0.4","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C15 H21 Ag F6 O2 P4 Sb Ta -","- C15 H21 Ag F6 O2 P4 Sb Ta -","- C240 H336 Ag16 F96 O32 P64 Sb16 Ta16 -","16","2","","Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin","Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies","Chemical Science","2020","","","","","10.1039/D0SC03437A","","x-ray","1.54178","CuKα","","0.036","0.03","","","0.0611","0.062","","","","","","0.951","","","","has coordinates","255277","2020-10-21","18:00:00",""
"1558919","6.927","0.0005","6.927","0.0005","25.0785","0.0036","90","","90","","90","","1203.3","0.2","","","294","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","7,9,10,12-tetrahydrodithieno[3,2-f:2',3'-h][1,4]dioxecine","","","- C12 H12 O2 S2 -","- C12 O2 S2 -","- C48 O8 S8 -","4","0.5","","Zimmer, Hans; Amer, Adel; Shabana, R.; Ho, Douglas; Mark, Jr., Harry B.; Sudsuansri, Kobkul; Striley, Cindy","Synthesis of Novel Crown Ethers Derived from 3,3'-Dimethyl-2,2'-Bithienylene and Preparation of alpha,omega-Bis(3-methylenethienyl) Ethers","Acta Chemica Scandinavica","1993","47","","184","190","10.3891/acta.chem.scand.47-0184","","x-ray","0.71073","MoKα","","","0.0246","","","0.0291","","","","","","","2.17","","","","has coordinates","255687","2020-10-21","18:00:00",""
"1559865","9.5637","0.0003","9.5637","0.0003","36.3395","0.001","90","","90","","90","","3323.77","0.17","173","2","173.15","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","(+)-3-naphthoylcamphor","(1<i>R</i>,3<i>S</i>,4<i>R</i>)-1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one","","- C21 H22 O2 -","- C21 H22 O2 -","- C168 H176 O16 -","8","1","BV4034","Bendia, Sabrina; Ouari, Kamel; Ait Ali, Mustapha; el Firdousi, Larbi; Nazarenko, Alexander Y.","1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one","IUCrData","2020","5","12","x201662","","10.1107/S2414314620016624","","","1.54178","CuKα","","0.0455","0.0424","","","0.108","0.1102","","","","","","1.052","","","","has coordinates,has Fobs","260149","2020-12-25","05:40:25",""
"1559876","19.2448","0.0005","19.2448","0.0005","26.8461","0.0008","90","","90","","90","","9942.8","0.5","193","2","193","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C55 H46 Cl2 N2 O11 -","- C55 H46 Cl2 N2 O11 -","- C440 H368 Cl16 N16 O88 -","8","1","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","0.71073","MoKα","","0.0791","0.0477","","","0.1107","0.133","","","","","","1.019","","","","has coordinates","267051","2021-07-05","16:45:05",""
"1559926","8.3567","0.0002","8.3567","0.0002","54.4587","0.0014","90","","90","","90","","3803.09","0.16","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C168 H240 O48 -","8","1","","Dai, Jia-Meng; Hu, Kun; Yan, Bing-Chao; Li, Xing-Ren; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","<i>ent</i>-Kaurane-Based Diterpenoids, Dimers, and Meroditerpenoids from <i>Isodon xerophilus</i>.","Journal of natural products","2020","83","12","3717","3725","10.1021/acs.jnatprod.0c00983","","","1.54178","CuKα","","0.0278","0.0276","","","0.0731","0.0732","","","","","","1.037","","","","has coordinates","260404","2021-01-04","00:31:00",""
"1560263","14.0362","0.0013","14.0362","0.0013","55.098","0.007","90","","90","","90","","10855","2","193","2","193","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C55 H68 Cl2 N2 O3 P2 Ru -","- C55 H68 Cl2 N2 O3 P2 Ru -","- C440 H544 Cl16 N16 O24 P16 Ru8 -","8","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0823","0.0569","","","0.131","0.1416","","","","","","1.028","","","","has coordinates","264853","2021-05-05","07:55:38",""
"1560767","14.6129","0.0006","14.6129","","29.4748","0.0015","90","","90","","90","","6294","0.4","150","","150","","","","","","","","synthesis as described","3","P 41 21 2","P 4abw 2nw","92","","","","- C44 H22 N2 -","- C44 H22 N2 -","- C352 H176 N16 -","8","1","","Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications","Chemical Science","2021","12","15","5522","5533","10.1039/D0SC06895K","","x-ray","0.71073","MoKα","","0.0532","0.0433","","","0.1012","0.1067","","","","","","1.036","","","","has coordinates","265931","2021-06-05","18:00:33",""
"1561028","11.2287","0.0004","11.2287","0.0004","32.691","0.002","90","","90","","90","","4121.8","0.3","150","2","150.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C42 H48 Li4 N4 O8 -","- C42 H48 Li4 N4 O8 -","- C168 H192 Li16 N16 O32 -","4","0.5","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0624","0.049","","","0.1181","0.1255","","","","","","1.063","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561832","17.6388","0.0004","17.6388","0.0004","29.2421","0.001","90","","90","","90","","9098","0.4","100","","100","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C39 H50 Gd2 N11 O14.5 -","- C39 H50 Gd2 N11 O14.5 -","- C312 H400 Gd16 N88 O116 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0311","0.0259","","","0.0652","0.068","","","","","","1.069","","","","has coordinates,has disorder","264219","2021-04-16","01:01:19",""
"1561836","17.6212","0.0003","17.6212","0.0003","29.1165","0.001","90","","90","","90","","9040.9","0.4","100","","100","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C39 H50 Gd N11 O14.5 Yb -","- C39 H50 Gd N11 O14.5 Yb -","- C312 H400 Gd8 N88 O116 Yb8 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0273","0.0239","","","0.0594","0.0618","","","","","","1.11","","","","has coordinates,has disorder","264219","2021-04-16","01:01:44",""
"1561838","17.6236","0.0004","17.6236","0.0004","29.062","0.0011","90","","90","","90","","9026.4","0.4","100","","100","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C39 H50 Gd Lu N11 O14.5 -","- C39 H50 Gd Lu N11 O14.5 -","- C312 H400 Gd8 Lu8 N88 O116 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0309","0.0246","","","0.0565","0.0594","","","","","","1.101","","","","has coordinates,has disorder","264219","2021-04-16","01:01:56",""
"1561839","17.5997","0.0005","17.5997","0.0005","28.979","0.0012","90","","90","","90","","8976.2","0.5","100","","100","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C39 H50 N11 O14.5 Y Yb -","- C39 H50 N11 O14.5 Y Yb -","- C312 H400 N88 O116 Y8 Yb8 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0341","0.0282","","","0.0679","0.071","","","","","","1.067","","","","has coordinates,has disorder","264219","2021-04-16","01:02:05",""
"1561841","17.5867","0.0005","17.5867","0.0005","28.966","0.0013","90","","90","","90","","8959","0.5","100","","100","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C39 H50 N11 O14.5 Yb2 -","- C39 H50 N11 O14.5 Yb2 -","- C312 H400 N88 O116 Yb16 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0356","0.0274","","","0.0654","0.0698","","","","","","1.139","","","","has coordinates,has disorder","264219","2021-04-16","01:02:18",""
"1563634","6.72791","0.00021","6.72791","","12.2192","0.0006","90","","90","","90","","553.1","0.03","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Ge2 Lu2 O7 -","- Ge2 Lu2 O7 -","- Ge8 Lu8 O28 -","4","0.5","","Zubkov, Vladimir G.; Tarakina, Nadezda V.; Leonidov, Ivan I.; Tyutyunnik, Alexander P.; Surat, Ludmila L.; Melkozerova, Marina A.; Zabolotskaya, Elena V.; Kellerman, Dina G.","Synthesis and crystal structure of Ln2M2+Ge4O12, Ln=rare-earth element or Y; M=Ca, Mn, Zn","Journal of Solid State Chemistry","2010","183","5","1186","1193","10.1016/j.jssc.2010.03.027","powder diffraction","x-ray","1.54056","","","","","","","","","0.02407","","","","","","","","","has coordinates","266604","2021-06-21","08:51:56",""
"1563637","6.76415","0.00018","6.76415","","12.2892","0.0006","90","","90","","90","","562.28","0.03","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Ge2 O7 Tm2 -","- Ge2 O7 Tm2 -","- Ge8 O28 Tm8 -","4","0.5","","Zubkov, Vladimir G.; Tarakina, Nadezda V.; Leonidov, Ivan I.; Tyutyunnik, Alexander P.; Surat, Ludmila L.; Melkozerova, Marina A.; Zabolotskaya, Elena V.; Kellerman, Dina G.","Synthesis and crystal structure of Ln2M2+Ge4O12, Ln=rare-earth element or Y; M=Ca, Mn, Zn","Journal of Solid State Chemistry","2010","183","5","1186","1193","10.1016/j.jssc.2010.03.027","powder diffraction","x-ray","1.54056","","","","","","","","","0.01942","","","","","","","","","has coordinates","266606","2021-06-21","08:59:14",""
"1563641","6.80399","0.00025","6.80399","","12.3755","0.0008","90","","90","","90","","572.91","0.04","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Ge2 O7 Y2 -","- Ge2 O7 Y2 -","- Ge8 O28 Y8 -","4","0.5","","Zubkov, Vladimir G.; Tarakina, Nadezda V.; Leonidov, Ivan I.; Tyutyunnik, Alexander P.; Surat, Ludmila L.; Melkozerova, Marina A.; Zabolotskaya, Elena V.; Kellerman, Dina G.","Synthesis and crystal structure of Ln2M2+Ge4O12, Ln=rare-earth element or Y; M=Ca, Mn, Zn","Journal of Solid State Chemistry","2010","183","5","1186","1193","10.1016/j.jssc.2010.03.027","powder diffraction","x-ray","1.54056","","","","","","","","","0.01859","","","","","","","","","has coordinates","266609","2021-06-21","09:12:49",""
"1563841","11.855","0.004","11.855","0.004","18.922","0.005","90","","90","","90","","2659.3","1.5","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H23 N2 O2 P -","- C10 H23 N2 O2 P -","- C80 H184 N16 O16 P8 -","8","1","","Skarżyńska, Anna; Gniewek, Andrzej","From bidentate H-spirophosporane ligand to tridentate phosphonate ligand in palladium chemistry","Inorganica Chimica Acta","2018","483","","248","251","10.1016/j.ica.2018.08.033","","","0.71073","MoKα","","0.0472","0.0365","","","0.0739","0.0767","","","","","","1.022","","","","has coordinates","266863","2021-07-01","08:42:54",""
"1565176","12.0526","0.0001","12.0526","0.0001","37.0309","0.0005","90","","90","","90","","5379.3","0.1","100","","100","","","","100","","","","synthesis","5","P 41 21 2","P 4abw 2nw","92","","N-tBu Dimer 1a","","- C25 H34 Cl N8 O2 -","- C25 H34 Cl N8 O2 -","- C200 H272 Cl8 N64 O16 -","8","1","","Warnock, Toyah M. C.; Rajkumar, Sundaram; Fitzpatrick, Matthew; Serpell, Christopher J.; Dingwall, Paul; Knipe, Peter Clarke","Chiral, Sequence-Definable Foldamer-Derived Macrocycles","Chemical Science","2021","","","","","10.1039/D1SC05021D","","","1.5418","CuKα","","0.0442","0.0426","","0.0581","0.0576","0.0581","","","","","","1.1707","","","","has coordinates","270581","2021-11-10","23:14:02",""
"1565202","13.3285","0.0005","13.3285","0.0005","27.8077","0.0011","90","","90","","90","","4940","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C56 H48 Cd2 N4 O12 -","- C56 H48 Cd2 N4 O12 -","- C224 H192 Cd8 N16 O48 -","4","0.5","","Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures","Inorganica Chimica Acta","2020","506","","119561","","10.1016/j.ica.2020.119561","","","0.71073","MoKα","","0.0322","0.0266","","","0.0539","0.0586","","","","","","1.114","","","","has coordinates","270620","2021-11-12","09:58:30",""
"1566025","20.623","0.003","20.623","0.003","31.896","0.006","90","","90","","90","","13566","4","273.15","","273.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C45 H56 Cl3 Cr N20 O13 -","- C45 H56 Cl3 Cr N20 O13 -","- C360 H448 Cl24 Cr8 N160 O104 -","8","1","","Zheng, Jun; Meng, Ye; Zhang, Lin; Yang, Xinan; Ma, Peihua","Metal-induced different structures of four cyclopentanocucurbit[5]uril-based complexes","Inorganica Chimica Acta","2022","529","","120669","","10.1016/j.ica.2021.120669","","","0.71073","MoKα","","0.0816","0.0721","","","0.2032","0.2159","","","","","","1.038","","","","has coordinates,has disorder","272104","2022-01-18","10:48:38",""
"1566638","6.676","0.0003","6.676","0.0003","6.955","0.0004","90","","90","","90","","309.98","0.03","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","ice III","","","- D2 O -","- D2 O -","- D24 O12 -","12","1.5","","Lobban, C.; Finney, J. L.; Kuhs, W. F.","The structure and ordering of ices III and V","The Journal of Chemical Physics","2000","112","","7169","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273832","2022-03-20","04:18:35",""
"1566644","6.73","0.01","6.73","0.01","6.83","0.01","90","","90","","90","","309.4","0.8","","","110","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","ice IX","","","- D2 O -","- D2 O -","- D24 O12 -","12","1.5","","La Placa, S. J.; Hamilton, W. C.; Kamb, B.; Prakash, A.","On a nearly proton-ordered structure for ice IX","The Journal of Chemical Physics","1973","58","","567","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273838","2022-03-20","06:22:58",""
"1566657","6.6925","0.0002","6.6925","0.0002","6.7152","0.0003","90","","90","","90","","300.771","0.018","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","ice IX","","","- D2 O -","- D2 O -","- D24 O12 -","12","1.5","","Londono, J. D.; Kuhs, W. F.; Finney, J. L.","Neutron diffraction studies of ices III and IX on under-pressure and recovered samples","The Journal of Chemical Physics","1993","98","","4878","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273853","2022-03-21","01:44:37",""
"1567116","12.9189","0.0001","12.9189","0.0001","29.4056","0.0001","90","","90","","90","","4907.74","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25.5 H26 N2 O9 S -","- C25.5 H26 N2 O9 S -","- C204 H208 N16 O72 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0482","0.0479","","0.1358","0.1354","0.1298","","","","","","0.9986","","","","has coordinates,has disorder","276036","2022-06-15","02:04:05",""
"1567117","12.917","0.0001","12.917","0.0001","29.3859","0.0002","90","","90","","90","","4903","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H53 N4 O18 S2 -","- C51 H53 N4 O18 S2 -","- C204 H212 N16 O72 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0401","0.0389","","0.1022","0.1011","0.1022","","","","","","1.0044","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567118","12.9076","0.0001","12.9076","0.0001","29.467","0.0002","90","","90","","90","","4909.38","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25.5 H25.5 N2 O8.5 S -","- C25.5 H25.5 N2 O8.5 S -","- C204 H204 N16 O68 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0513","0.0504","","0.1456","0.1444","0.1456","","","","","","1.0266","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567119","12.8885","0.0001","12.8885","0.0001","29.5227","0.0001","90","","90","","90","","4904.12","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25.5 H28 N2 O7.5 S -","- C25.5 H28 N2 O7.5 S -","- C204 H224 N16 O60 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0332","0.0323","","0.0459","0.0453","0.0459","","","","","","1.1032","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567120","12.8625","0.0001","12.8625","0.0001","29.5499","0.0001","90","","90","","90","","4888.85","0.06","120","","120","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C25 H26.5 Br0.5 N2 O7 S -","- C25 H26.5 Br0.5 N2 O7 S -","- C200 H212 Br4 N16 O56 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0747","0.0735","","0.2147","0.2128","0.2147","","","","","","0.9938","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567121","12.8788","0.0001","12.8788","0.0001","29.3261","0.0001","90","","90","","90","","4864.13","0.06","120","","120","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C33.33 H35.33 Cl0.67 N2.67 O9.33 S1.33 -","- C33.3333 H35.3333 Cl0.666667 N2.66667 O9.33333 S1.33333 -","- C200 H212 Cl4 N16 O56 S8 -","6","0.75","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.033","0.0324","","0.0895","0.0889","0.0895","","","","","","0.9885","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567122","12.8425","0.0001","12.8425","0.0001","29.4534","0.0002","90","","90","","90","","4857.74","0.06","119.97","0.1","119.97","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H48 F6 N4 O14 S2 -","- C50 H48 F6 N4 O14 S2 -","- C200 H192 F24 N16 O56 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","x-ray","1.54184","CuKα","","0.0228","0.0226","","","0.0716","0.0718","","","","1.67","1.67","1.66","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567123","12.9104","0.0001","12.9104","0.0001","29.4495","0.0001","90","","90","","90","","4908.6","0.06","95","","95","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H53 I N4 O14 S2 -","- C50 H53 I N4 O14 S2 -","- C200 H212 I4 N16 O56 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0358","0.0356","","0.0794","0.0792","0.0794","","","","","","0.9968","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567124","13.2792","0.0001","13.2792","0.0001","28.2737","0.0001","90","","90","","90","","4985.7","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C53 H60 N4 O14 S2 -","- C53 H60 N4 O14 S2 -","- C212 H240 N16 O56 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0224","0.0223","","0.0603","0.0601","0.0603","","","","","","0.8635","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567125","12.9696","0.0001","12.9696","0.0001","29.2499","0.0001","90","","90","","90","","4920.14","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H29 N2 O7 S -","- C26 H29 N2 O7 S -","- C208 H232 N16 O56 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0361","0.036","","0.0909","0.0908","0.0909","","","","","","1.1151","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567126","12.8876","0.0001","12.8876","0.0001","29.4547","0.0002","90","","90","","90","","4892.14","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C50 H52 N6 O15 S2 -","- C50 H52 N6 O15 S2 -","- C200 H208 N24 O60 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0393","0.0389","","0.106","0.1056","0.106","","","","","","1.0243","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567127","12.9268","0.0001","12.9268","0.0001","29.3204","0.0002","90","","90","","90","","4899.5","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C50 H53 N5 O16 S2 -","- C50 H53 N5 O16 S2 -","- C200 H212 N20 O64 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.54184","CuKα","","0.0374","0.0362","","0.0932","0.0922","0.0932","","","","","","0.9999","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567128","13.185","0.0001","13.185","0.0001","28.593","0.0001","90","","90","","90","","4970.73","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H30.5 N2 O7 S -","- C26 H30.5 N2 O7 S -","- C208 H244 N16 O56 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0277","0.0274","","0.0598","0.0595","0.0598","","","","","","0.93","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567129","12.9133","0.0001","12.9133","0.0001","29.3418","0.0001","90","","90","","90","","4892.84","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H53 N4 O17 S2 -","- C51 H53 N4 O17 S2 -","- C204 H212 N16 O68 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0302","0.0301","","0.0755","0.0754","0.0755","","","","","","1.0911","","","","has coordinates","276036","2022-06-15","02:04:07",""
"1567130","12.9492","0.0001","12.9492","0.0001","29.6806","0.0003","90","","90","","90","","4976.9","0.07","120","","120","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C51 H54 F3 N4 O14 S2 -","- C51 H54 F3 N4 O14 S2 -","- C204 H216 F12 N16 O56 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0672","0.067","","0.1606","0.1605","0.1606","","","","","","0.974","","","","has coordinates","276036","2022-06-15","02:04:07",""
"1567512","9.72023","0.00011","9.72023","0.00011","30.5949","0.0005","90","","90","","90","","2890.69","0.07","140","0.1","140","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C33 H24 Ir N3 -","- C33 H24 Ir N3 -","- C132 H96 Ir4 N12 -","4","0.5","","Yu. Gitlina, Anastasia; Fadaei-Tirani, Farzaneh; Ruggi, Albert; Plaice, Carolina; Severin, Kay","Acid-base-induced fac → mer isomerization of luminescent iridium(iii) complexes","Chemical Science","2022","","","","","10.1039/D2SC02808E","","x-ray","0.71073","MoKα","","0.0594","0.0357","","","0.0687","0.072","","","","","","1.043","","","","has coordinates,has disorder","277345","2022-08-22","22:08:36",""
"1567830","9.6794","0.0011","9.6794","0.0011","49.548","0.008","90","","90","","90","","4642.2","1.1","105.33","","105.33","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C28 H30 O4 -","- C28 H29 O4 -","- C224 H232 O32 -","8","1","","Sharma, Himangshu; Mondal, Joyanta Mr.; Ghosh, Ananyo K. Mr.; Pal, Ritesh Ranjan Dr.; Goswami, Rajib Kumar","Total Synthesis of Antibacterial Polyketide Natural Product Thailandamide Lactone","Chemical Science","2022","","","","","10.1039/D2SC04727F","","","0.71073","MoKα","","0.0731","0.0512","","","0.1149","0.128","","","","","","1.155","","","","has coordinates","278716","2022-10-21","21:46:07",""
"1570555","23.4819","0.0013","23.4819","0.0013","33.2671","0.0009","90","","90","","90","","18343.5","1.5","123","","123","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C70 H60 N2 O6 P2 Pt -","- C70 H60 N2 O6 P2 Pt -","- C560 H480 N16 O48 P16 Pt8 -","8","1","","Horiuchi, Takashi; Makino, Soya; Sano, Natsuhiro; Sogawa, Hiromitsu; Sanda, Fumio","Synthesis of geometry-controlled platinum-containing polymers bearing optically active bidentate phosphine ligands","Polymer Chemistry","2024","15","4","303","309","10.1039/D3PY01074K","","","0.71075","MoKα","","0.0976","0.05","","","0.1198","0.1365","","","","","","0.971","","","","has coordinates","289648","2024-02-04","12:33:01",""
"1570869","10.11536","0.00004","10.11536","0.00004","38.9841","0.0002","90","","90","","90","","3988.87","0.03","100","2","100","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C27 H60 Cl6 N2 O12 Sb -","- C27 H60 Cl6 N2 O12 Sb -","- C108 H240 Cl24 N8 O48 Sb4 -","4","0.5","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","","1.54178","CuKα","","0.066","0.0652","","","0.1762","0.177","","","","","","1.058","","","","has coordinates,has disorder","290840","2024-04-04","22:46:24",""
"1570988","9.3365","0.0001","9.3365","0.0001","31.9312","0.0007","90","","90","","90","","2783.45","0.07","100","0.3","100","0.3","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","yttrium(III)bis(tris-pyrazolylborato)(tropolonato)","","- C25 H25 B2 N12 O2 Y -","- C25 H25 B2 N12 O2 Y -","- C100 H100 B8 N48 O8 Y4 -","4","0.5","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.0324","0.0301","","","0.0737","0.0747","","","","","","1.066","","","","has coordinates","290871","2024-04-04","22:58:37",""
"1570989","9.3261","0.0001","9.3261","0.0001","31.8683","0.0005","90","","90","","90","","2771.78","0.06","100","0.1","100","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","erbium(III)bis(tris-pyrazolylborato)(tropolonato)","","- C25 H25 B2 Er N12 O2 -","- C25 H25 B2 Er N12 O2 -","- C100 H100 B8 Er4 N48 O8 -","4","0.5","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.0289","0.0277","","","0.0694","0.0702","","","","","","1.071","","","","has coordinates","290871","2024-04-04","22:58:37",""
"1571043","11.47464","0.00007","11.47464","0.00007","21.21699","0.00017","90","","90","","90","","2793.59","0.03","100","0.6","100","0.6","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H54 Cs N Si2 -","- C24 H54 Cs N Si2 -","- C96 H216 Cs4 N4 Si8 -","4","0.5","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0179","0.0176","","","0.0449","0.0451","","","","","","1.049","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571920","14.901","0.0004","14.901","0.0004","64.976","0.003","90","","90","","90","","14427.3","0.9","100","","100","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C93 H61 Cl3 N8 O2 -","- C93 H61 Cl3 N8 O2 -","- C744 H488 Cl24 N64 O16 -","8","1","","Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng","Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture.","Chemical science","2024","15","29","11408","11417","10.1039/d4sc02416h","","x-ray","1.54178","CuKα","","0.1378","0.1089","","","0.2827","0.306","","","","","","1.031","","","","has coordinates","293735","2024-08-05","17:55:03",""
"1572387","10.8158","0.0002","10.8158","0.0002","27.7228","0.0009","90","","90","","90","","3243.06","0.14","150","","150","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H17 Cl2 Fe N3 -","- C16 H17 Cl2 Fe N3 -","- C128 H136 Cl16 Fe8 N24 -","8","1","","Ge, Jiajia; Chen, Binghui; Gong, Dirong","Catalytic polymerization of isoprene using an ultrahigh active iron(ii) complex with an ortho-modified 1,10-phenanthroline ligand, access to a thermal plastic rubber","Polymer Chemistry","2024","15","37","3751","3762","10.1039/D4PY00576G","","","1.54178","CuKα","","0.0511","0.0486","","","0.1153","0.1164","","","","","","1.038","","","","has coordinates","295346","2024-10-06","09:28:25",""
"1572653","15.3094","0.0013","15.3094","0.0013","15.315","0.002","90","","90","","90","","3589.5","0.6","173","2","173","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","Δ-Bis[(<i>S</i>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>^1^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')ruthenium(III) hexafluoridophosphate","","- C36 H36 F6 N4 O4 P Ru -","- C36 H36 F6 N4 O4 P Ru -","- C144 H144 F24 N16 O16 P4 Ru4 -","4","0.5","WM4221","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","Δ-Bis[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ2 N,O 1](1,10-phenanthroline-κ2 N,N′)ruthenium(III) hexafluoridophosphate","IUCrData","2024","9","9","","","10.1107/S2414314624008939","","","0.71073","MoKα","","0.0569","0.038","","","0.0968","0.1073","","","","","","1.037","","","","has coordinates,has disorder","294844","2024-09-21","02:42:27",""
"1572786","10.4739","0.0001","10.4739","0.0001","61.7275","0.0008","90","","90","","90","","6771.67","0.13","100.15","","100.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H46 N6 O6 S -","- C30 H46 N6 O6 S -","- C240 H368 N48 O48 S8 -","8","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","","1.54184","CuKα","","0.0529","0.0457","","","0.1073","0.1105","","","","","","1.042","","","","has coordinates,has disorder","295046","2024-10-04","09:52:48",""
"1572787","10.30099","0.00006","10.30099","0.00006","63.8033","0.0006","90","","90","","90","","6770.19","0.08","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H47 N5 O8 S -","- C30 H48 N6 O7 S -","- C240 H384 N48 O56 S8 -","8","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","","1.54184","CuKα","","0.0379","0.0367","","","0.0972","0.098","","","","","","1.067","","","","has coordinates","295046","2024-10-04","09:52:48",""
"1573258","14.6382","0.0002","14.6382","0.0002","20.8242","0.0004","90","","90","","90","","4462.15","0.12","150","0.3","150","0.3","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H24 Ni S8 -","- C16 H24 Ni S8 -","- C128 H192 Ni8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, Hengbo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes†","Nanoscale","2024","","","","","10.1039/D4NR04048A","","","1.54184","CuKα","","0.042","0.039","","","0.1013","0.106","","","","","","1.046","","","","has coordinates","296077","2024-11-23","01:09:49",""
"1573259","14.2738","0.0007","14.2738","0.0007","21.703","0.0011","90","","90","","90","","4421.8","0.4","149.9","0.4","149.9","0.4","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H24 Ni S8 -","- C16 H21 Ni S8 -","- C128 H168 Ni8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, Hengbo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes†","Nanoscale","2024","","","","","10.1039/D4NR04048A","","","1.54184","CuKα","","0.1196","0.0981","","","0.2576","0.29","","","","","","1.027","","","","has coordinates,has disorder","296077","2024-11-23","01:09:49",""
"1573260","14.313","0.0004","14.313","0.0004","21.769","0.0007","90","","90","","90","","4459.6","0.2","150","0.1","150","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H24 Pt S8 -","- C16 H24 Pt S8 -","- C128 H192 Pt8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, Hengbo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes†","Nanoscale","2024","","","","","10.1039/D4NR04048A","","","1.54184","CuKα","","0.0648","0.0505","","","0.1253","0.1359","","","","","","1.036","","","","has coordinates,has disorder","296077","2024-11-23","01:09:49",""
"2002892","5.2997","0.0006","5.2997","0.0006","7.0758","0.0009","90","","90","","90","","198.74","0.04","293","","293","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- Al1.95 Na1.95 O4 Si0.05 -","- Al1.95 Na1.95 O4 Si0.05 -","- Al3.9 Na3.9 O8 Si0.1 -","2","0.25","AB0390","Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R.","Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures","Acta Crystallographica Section B","1998","54","5","531","546","10.1107/S0108768197019927","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002894","10.3872","0.0007","10.3872","0.0007","7.1589","0.0008","90","","90","","90","","772.4","0.11","293","","293","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- Al1.65 Na1.65 O4 Si0.35 -","- Al1.65 Na1.616 O4 Si0.35 -","- Al13.2 Na12.928 O32 Si2.8 -","8","1","AB0390","Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R.","Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures","Acta Crystallographica Section B","1998","54","5","531","546","10.1107/S0108768197019927","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","192015","2020-10-21","18:00:00",""
"2003795","9.441","0.001","9.441","0.002","39.253","0.005","90","","90","","90","","3498.7","0.9","295","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","1","KA1093","Stankovic, S.; Lazar, D.; Petrovic, J.; Miljovic, D.; Pejanovic, V.; Courseille, C.","17β-Hydroxy-3-methoxyestra-1,3,5(10)-triene-6,7-dione 7-Oxime","Acta Crystallographica Section C","1995","51","8","1581","1583","10.1107/S0108270195001375","","","1.54184","CuKα","","","0.06","","","0.063","","","","","1.9","1.9","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003949","9.161","0.001","9.161","0.001","10.678","0.002","90","","90","","90","","896.1","0.2","293","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- K2 Ni O10 P2 W -","- K2 Ni O10 P2 W -","- K8 Ni4 O40 P8 W4 -","4","0.5","SH1105","Peuchert, U.; Bohatý, L.; Fröhlich, R.","K~2~NiWO~2~(PO~4~)~2~: a New Structure Type Related to KTiOPO~4~ (KTP)","Acta Crystallographica Section C","1995","51","9","1719","1721","10.1107/S0108270195004185","","","0.71073","MoKα","","0.0143","0.0173","","0.0325","0.033","","","","","1.117","1.117","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005383","9.552","0.004","9.552","0.004","36.413","0.009","90","","90","","90","","3322","2","293","2","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C15 H23 N4 O6.5 -","- C15 H21 N4 O6.5 -","- C120 H168 N32 O52 -","8","1","KH1092","Hirayama, N.; Arai, H.; Kasai, M.","Structural Studies of Mitomycins. VIII. Mitomycin D Hydrate, C~15~H~18~N~4~O~5~.1.5H~2~O","Acta Crystallographica Section C","1996","52","9","2365","2367","10.1107/S0108270196004350","","","1.54184","CuKα","","","0.055","","","0.067","","","","","2.33","2.33","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2005634","10.79","0.001","10.79","0.001","30.688","0.003","90","0.009","90","0.009","90","0.009","3572.8","0.6","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Boc-Phe-Aminomalonaldehyde","6-benzyl-2,2-dimethyl-5,8-diaza-4,7-dioxo-9-formyl-10-hydroxy- 3-oxa-(9,10)-decen","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C136 H176 N16 O40 -","8","1","KA1191","Sopková, J.; Císarová, I.; Arnold, Z.","Boc‒Phe‒Aminomalonaldehyde","Acta Crystallographica Section C","1996","52","11","2903","2905","10.1107/S0108270196008025","","","0.71073","MoKα","","0.0516","0.0347","","0.0987","0.0851","","","","1.033","1.017","1.017","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006227","8.9054","0.0013","8.9054","0.0013","37.978","0.008","90","","90","","90","","3011.9","0.9","293","2","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C30 H50 Cl2 Pd2 -","- C30 H50 Cl2 Pd2 -","- C120 H200 Cl8 Pd8 -","4","0.5","","Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós; Yves Castanet; André Mortreux","Bis(π-allyl-6,7-dihydrohimachalene)-α,α-dichlorodipalladium","Acta Crystallographica Section C","1997","53","","710","712","","","","","","","","0.0738","","","0.153","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006267","10.6524","0.0012","10.6524","0.0012","25.548","0.004","90","","90","","90","","2899","0.6","293","","293","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C34 H42 O2 -","- C34 H42 O2 -","- C136 H168 O8 -","4","0.5","BK1252","Suh, Il-Hwan; Choi, Sungjo; Lewis, David E.; Jensen, William P.","Two Related Benzylcamphor Dimers","Acta Crystallographica Section C","1997","53","7","963","967","10.1107/S0108270197000371","","","0.7093","MolybdenumKα","","0.047","0.047","","0.027","0.027","","","","","2.18","2.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006274","9.585","0.0007","9.585","0.001","29.939","0.004","90","0.01","90","0.008","90","0.008","2750.6","0.5","293","","293","","","","","","","","","5","P 41 21 2","P 43n 2nw","","","2-(5-bromothien-2-ylmethylidenehydrazono)quinoline","","- C14 H10 Br N3 S -","- C14 H10 Br N3 S -","- C112 H80 Br8 N24 S8 -","8","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.065","0.026","","","0.033","","","","","1.06","1.06","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007511","5.4965","0.0002","5.4965","0.0002","11.137","0.001","90","","90","","90","","336.47","0.03","296","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C H2 N4 O -","- C H2 N4 O -","- C4 H8 N16 O4 -","4","0.5","DA1003","Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Matsunaga, Takehiro; Iida, Mitsuaki","1<i>H</i>-Tetrazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","1998","54","8","1160","1162","10.1107/S0108270198002108","","","0.7107","MoKα","","","0.028","","","","0.04","","","","","","1.36","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008766","10.764","0.003","10.764","0.003","37.939","0.007","90","","90","","90","","4395.8","1.9","298.2","","298.2","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","binaphthalene","","","- C26 H22 O6 -","- C26 H20.5 O6 -","- C208 H164 O48 -","8","1","CF1308","Tachi, Yoshimitsu; Nakayama, Shinya; Tani, Fumito; Ueno, Go; Naruta, Yoshinori","(<i>S</i>)-2,2'-Bis(methoxymethoxy)[1,1'-binaphthyl]-3,3'-dicarbaldehyde","Acta Crystallographica Section C","1999","55","8","1351","1353","10.1107/S0108270199004680","","","1.5418","CuKα","","0.0676","0.0413","","","","0.1287","","","","","","1.424","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008779","10.1962","0.0002","10.1962","0.0002","21.0571","0.0007","90","","90","","90","","2189.15","0.09","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Dichloro-(tetrahydrogen-ethylenediamine-tetraacetate)-palladium(II) hexahydrate","","- C10 H28 Cl2 N2 O14 Pd -","- C10 H28 Cl2 N2 O14 Pd -","- C40 H112 Cl8 N8 O56 Pd4 -","4","0.5","FR1173","Xue-mei Luo; Xiao-hua Chen; Shanmuga Sundara Raj, S.; Hoong-Kun Fun; Long-gen Zhu","Dichloro(ethylenediaminetetraacetic acid)palladium(II) hexahydrate","Acta Crystallographica Section C","1999","55","8","1220","1222","10.1107/S0108270199005958","","","0.71073","MoKα","","0.039","0.032","","","","0.081","","","","","","1.085","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008848","6.794","0.0005","6.794","0.0005","11.9557","0.0011","90","","90","","90","","551.86","0.08","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Copper(II)-cyclopropane-1,1-carboxylate","Copper(II)-cyclopropane-1,1-carboxylate","","- C5 H4 Cu O4 -","- C5 H4 Cu O4 -","- C20 H16 Cu4 O16 -","4","0.5","SK1210","Petri, Alke; Schwarz, Thomas; Schilling, Joachim; Lentz, Axel","Polymeric (cyclopropane-1,1-dicarboxylato)copper(II)","Acta Crystallographica Section C","1999","55","8","1247","1248","10.1107/S0108270199005867","","","0.71073","MoKα","","0.0195","0.0184","","","","0.0477","","","","","","1.095","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2009122","10.4475","0.0001","10.4475","0.0001","22.8183","0.0002","90","","90","","90","","2490.62","0.04","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene","","- C24 H24 Br2 N2 O4 S2 -","- C24 H24 Br2 N2 O4 S2 -","- C96 H96 Br8 N8 O16 S8 -","4","0.5","FR1214","Şamil Işık; Sema Öztürk; Hoong-Kun Fun; Erbil Ag̃ar; Selami Şaşmaz","10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene","Acta Crystallographica Section C","1999","55","11","1850","1852","10.1107/S0108270199010136","","","0.71073","MoKα","","0.128","0.06","","","","0.141","","","","","","1.01","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010008","8.2973","0.0008","8.2973","0.0008","29.435","0.0003","90","","90","","90","","2026.5","0.3","295","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C8 H16 Na4 O20 V2 -","- C8 H16 Na4 O20 V2 -","- C32 H64 Na16 O80 V8 -","4","0.5","AB1114","Pizarro, J.L.; Garcia-Jaca, J.; Rojo, T.; Arriortua, M.I.","Tetrasodium bis(μ-<small>L</small>-tartrato)-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^-bis[oxovanadate(IV)] hexahydrate","Acta Crystallographica Section C","1994","50","9","1394","1396","10.1107/S0108270194001605","","","0.7107","MoKα","","","0.0255","","","0.0269","","","","","1.47","1.47","","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2010530","12.38","0.002","12.38","","12.018","0.003","90","","90","","90","","1841.9","0.5","295","","295","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H32 Al2 N2 -","- C14 H32 Al2 N2 -","- C56 H128 Al8 N8 -","4","0.5","GD1061","Craig, Fiona J.; Kennedy, Alan R.; Mulvey, Robert E.","Bis[(μ-cyclopentylamino-<i>N</i>:<i>N</i>)dimethylaluminium(III)]","Acta Crystallographica Section C","2000","56","1","31","32","10.1107/S0108270199012639","","","0.71069","MoKα","","0.124","0.046","","0.0548","0.046","","","","","1.408","1.408","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010656","11.374","0.002","11.374","","22.939","0.003","90","","90","","90","","2967.6","0.7","298.2","","298.2","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","4-(4-methylsulfonylphenyl)-3-phenyl-2,5-dihydro-2-furanone","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C136 H112 O32 S8 -","8","1","QA0199","Shashi Rekha, K.; Vyas, K.; Haricharan Raju, C. M.; Chandrashekar, B.; Om Reddy, G.","Viox, a COX-II inhibitor","Acta Crystallographica Section C","2000","56","2","e68","e68","10.1107/S0108270100001062","","","1.5418","CuKα","","0.042","0.042","","0.059","","0.059","","","1.74","","","1.74","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010688","10.121","0.003","10.121","0.003","26.118","0.01","90","","90","","90","","2675.4","1.5","153","2","153","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","N-(diphenylphosphinoselenoyl)-P,P-diphenyl- tetrahydrofuran solvate","","- C28 H29 N O P2 Se2 -","- C28 H29 N O P2 Se2 -","- C112 H116 N4 O4 P8 Se8 -","4","0.5","BK1508","Pernin, Christopher G.; Ibers, James A.","Two tetrahydrofuran solvates of HN(SePPh~2~)~2~","Acta Crystallographica Section C","2000","56","3","376","378","10.1107/S010827019901584X","","","0.71073","MoKα","","0.0278","0.0222","","","","0.0586","","","","","","0.972","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010839","6.287","0.006","6.287","0.006","31.93","0.01","90","","90","","90","","1262.1","1.7","293.2","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C13 H8 S4 -","- C13 H8 S4 -","- C52 H32 S16 -","4","0.5","QA0227","Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-Ichiro","2,2'-Spirobi(1,3-benzodithiole)","Acta Crystallographica Section C","2000","56","4","e160","e161","10.1107/S0108270100003528","","","0.7107","MoKα","","","0.0347","","","","0.0453","","","","","","1.325","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012853","7.1475","0.0001","7.1475","0.0001","46.3268","0.0008","90","","90","","90","","2366.69","0.06","160","1","160","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","1,6-bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)hexasulfane","","- C16 H24 Cl2 O2 S6 -","- C16 H24 Cl2 O2 S6 -","- C64 H96 Cl8 O8 S24 -","4","0.5","BM1503","Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz","Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes","Acta Crystallographica Section C","2002","58","8","o480","o484","10.1107/S0108270102011319","","","0.71073","MoKα","","0.092","0.043","","","0.074","0.085","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013015","5.903","0.001","5.903","0.001","45.164","0.004","90","","90","","90","","1573.8","0.4","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(S)-trans-cyclohexane-1,2-dicarboximide","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","FA1000","Gdaniec, Maria; Nowak, Elżbieta; Milewska, Maria J.; Połoński, Tadeusz","(<i>S</i>)-<i>trans</i>-Cyclohexane-1,2-dicarboximide","Acta Crystallographica Section C","2002","58","11","o661","o662","10.1107/S0108270102018061","","","1.54178","CuKα","","0.044","0.041","","0.128","","0.125","","","1.053","","","1.068","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013110","7.0855","0.001","7.0855","0.001","26.99","0.005","90","","90","","90","","1355","0.4","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","2-amino-6-chloropurine","","- C5 H4 Cl N5 -","- C5 H4 Cl N5 -","- C40 H32 Cl8 N40 -","8","1","BM1512","Daniel E. Lynch; Ian McClenaghan","Three 2-aminopurine derivatives","Acta Crystallographica Section C","2003","59","1","o53","o56","10.1107/S0108270102021960","","","0.71073","MoKα","","0.067","0.0384","","","0.0762","0.0833","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013414","11.817","0.003","11.817","0.003","36.608","0.004","90","","90","","90","","5112","1.9","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C63 H44 F6 N4 Ru -","- C63 H44 F6 N4 Ru -","- C252 H176 F24 N16 Ru4 -","4","0.5","DE1218","Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken","A five-coordinate ruthenium(II)‒porphyrin‒carbene complex: [bis(3-trifluoromethylphenyl)methylene-κ<i>C</i>](5,10,15,20-tetra-<i>p</i>-tolylporphyrinato-κ^4^<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","2003","59","9","m369","m370","10.1107/S010827010301669X","","","0.71069","MoKα","","0.088","0.05","","","0.124","0.142","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014098","5.0117","0.0005","5.0117","0.0005","20.051","0.003","90","","90","","90","","503.62","0.1","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","beryllium bis(hypophosphite)","beryllium bis[dihydrogenphosphate(I)]","","- Be H4 O4 P2 -","- Be H4 O4 P2 -","- Be4 H16 O16 P8 -","4","0.5","BC1045","Naumov, Dmitry Yu.; Naumova, Marina I.; Podberezskaya, Nina V.; Kuratieva, Natalia V.","Lithium and beryllium hypophosphites","Acta Crystallographica Section C","2004","60","8","i73","i75","10.1107/S0108270104013691","","","0.71073","MoKα","","0.041","0.0327","","","0.0923","0.0983","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014957","10.381","0.002","10.381","0.002","32.513","0.001","90","","90","","90","","3503.8","1","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","bis{μ-6,6-dimethyl-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}dicopper(II) 0.28-hydrate","","- C38 H40 Co2 N4 O4.28 -","- C38 H40 Co2 N4 O4.28 -","- C152 H160 Co8 N16 O17.12 -","4","0.5","AV1247","You, Zhong-Lu","Bis[μ-<i>N</i>,<i>N</i>'-bis(3-methylsalicylidene)propane-1,3-diaminato]dicobalt(II) 0.28-hydrate","Acta Crystallographica Section C","2005","61","7","m359","m360","10.1107/S0108270105019189","","","0.71073","MoKα","","0.0377","0.0334","","","0.0757","0.0778","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015018","12.566","0.005","12.566","0.005","38.708","0.005","90","0.005","90","0.005","90","0.005","6112","4","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","pIsodApC","4-amino-1-(6-O-{[2-(6-aminopurin-9-yl)-6-O-hydroxy(oxido)phosphoryl-1,2,5- trideoxy-3-furanosyl]oxidophosphoryl}-1,5-dideoxy-1-furanosyl)pyrimidin- 2(1H)-one 6.5 hydrate","","- C19 H39 N8 O19.5 P2 -","- C19 H39 N8 O19.5 P2 -","- C152 H312 N64 O156 P16 -","8","1","HJ1051","M. Gary Newton; Charles F. Campana; Guo-Chen Chi; Doowon Lee; Zhi-Jie Liu; Vasu Nair; James Phillips; John P. Rose; B.-C. Wang","A non-natural dinucleotide containing an isomeric <small>L</small>-related deoxynucleoside: dinucleotide inhibitors of anti-HIV integrase activity","Acta Crystallographica Section C","2005","61","8","o518","o520","10.1107/S0108270105019037","","","1.54178","CuKα","","0.047","0.0469","","","0.1241","0.1243","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015473","12.2794","0.0002","12.2794","0.0002","26.3417","0.0005","90","","90","","90","","3971.9","0.12","100","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","N-[(3S)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]- (1R,2S)-bornane-10,2-sultam 0.35-hydrate","","- C18 H26.697 N4 O5.3485 S -","- C18 H26.697 N4 O5.3485 S -","- C144 H213.576 N32 O42.788 S8 -","8","1","DN3017","Elemes, Yiannis; Muir, Kenneth W.","Hydrated forms of <i>N</i>-[(3<i>R</i>)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1<i>S</i>,2<i>R</i>)-bornane-10,2-sultam and its enantiomer","Acta Crystallographica Section C","2006","62","8","o458","o460","10.1107/S0108270106019524","","","0.71073","MoKα","","","0.0377","","","","0.0935","","","","","","0.977","","","","has coordinates,has Fobs","203508","2020-10-21","18:00:00",""
"2015759","10.8271","0.0002","10.8271","0.0002","19.9208","0.0003","90","","90","","90","","2335.24","0.07","120","2","120","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","7-Amino-2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidine","","- C11 H16 N4 -","- C11 H16 N4 -","- C88 H128 N32 -","8","1","SK3071","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","7-Amino-2-<i>tert</i>-butyl-5-methylpyrazolo[1,5-<i>a</i>]pyrimidine: a three-dimensional framework structure built from two N—H···N hydrogen bonds","Acta Crystallographica Section C","2007","63","1","o26","o28","10.1107/S0108270106044817","","","0.71073","MoKα","","0.0429","0.0349","","","0.0872","0.0912","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016683","13.3292","0.0005","13.3292","0.0005","41.668","0.002","90","","90","","90","","7403.1","0.5","153","2","153","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","bis[tris(1,10-phenantroline)ruthenium(II)] tetraisothiocyanatoiron(II) bis(perchlorate)","","- C76 H48 Cl2 Fe N16 O8 Ru2 S4 -","- C76 H48 Cl2 Fe N16 O8 Ru2 S4 -","- C304 H192 Cl8 Fe4 N64 O32 Ru8 S16 -","4","0.5","LN3097","Ghazzali, Mohamed; Öhrström, Lars; Lincoln, Per; Langer, Vratislav","A three-dimensional net of Δ-tris(1,10-phenanthroline)ruthenium(II) in the dual-metal self-assembly of bis[tris(1,10-phenanthroline)ruthenium(II)] tetraisothiocyanatoiron(II) bis(perchlorate)","Acta Crystallographica Section C","2008","64","7","m243","m245","10.1107/S0108270108015849","","","0.71073","MoKα","","0.0783","0.0609","","","0.1864","0.2001","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017079","7.8505","0.0001","7.8505","0.0001","18.1513","0.0005","90","","90","","90","","1118.67","0.04","110","2","110","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","poly[μ-4,4'-bipyridyl-di-μ-formato-copper(II)]","","- C12 H10 Cu N2 O4 -","- C12 H10 Cu N2 O4 -","- C48 H40 Cu4 N8 O16 -","4","0.5","BM3078","Koner, Rajesh; Goldberg, Israel","The coordination polymers poly[μ-4,4'-bipyridyl-di-μ-formato-copper(II)] and <i>catena</i>-poly[[[diaqua(1-benzofuran-2,3-dicarboxylato)copper(II)]-μ-1,2-di-4-pyridylethane] dihydrate]","Acta Crystallographica Section C","2009","65","5","m185","m189","10.1107/S0108270109011299","","","0.71073","MoKα","","0.0401","0.0368","","","0.0941","0.0962","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019005","9.2606","0.0008","9.2606","0.0008","44.847","0.004","90","","90","","90","","3846","0.6","100","","100","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Ethyl (2<i>S</i>)-2-[(3<i>S</i>,5a<i>S</i>,9a<i>S</i>,10a<i>S</i>)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3<i>H</i>-pyrazino[1,2-<i>a</i>]indol-2-yl]pentanoate","","- C19 H30 N2 O4 -","- C19 H30 N2 O4 -","- C152 H240 N16 O32 -","8","1","TP3019","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Remko, Milan","An orthorhombic polymorph of a cyclization product of perindopril","Acta Crystallographica Section C","2013","69","6","630","633","10.1107/S0108270113011025","","","1.54178","CuKα","","0.0392","0.0391","","","0.1066","0.1067","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2020732","12.98","0.003","12.98","0.003","29.734","0.006","90","","90","","90","","5009.6","1.9","293","","293","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione toluene hemisolvate","","- C25.5 H28 N2 O7 S -","- C25.5 H28 N2 O7 S -","- C204 H224 N16 O56 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.1815","0.0985","","","0.1824","0.2244","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","194035","2020-10-21","18:00:00",""
"2020733","13.171","0.003","13.171","0.003","29.524","0.006","90","","90","","90","","5122","2","293.15","","293.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione dichloromethane monosolvate","","- C23 H26 Cl2 N2 O7 S -","- C23 H26 Cl2 N2 O7 S -","- C184 H208 Cl16 N16 O56 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.1072","0.0571","","","0.1132","0.1347","","","","","","0.998","","","","has coordinates,has Fobs","194035","2020-10-21","18:00:00",""
"2020734","13.0307","0.0018","13.0307","0.0018","29.754","0.006","90","","90","","90","","5052.2","1.4","293.15","","293.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione ethyl acetate hemisolvate","","- C24 H28 N2 O8 S -","- C24 H28 N2 O8 S -","- C192 H224 N16 O64 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.104","0.0576","","","0.1208","0.1431","","","","","","0.957","","","","has coordinates,has disorder,has Fobs","194035","2020-10-21","18:00:00",""
"2022170","10.9828","0.0001","10.9828","0.0001","31.824","0.0004","90","","90","","90","","3838.67","0.07","130","2","130","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(<i>R</i>,<i>S</i>)-<i>N</i>-[2-(2,6-Dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium pyridine-2-carboxylate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C152 H208 N16 O32 -","8","1","KY3196","Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa","The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620008244","","x-ray","1.54184","CuKα","","0.0341","0.0308","","","0.0781","0.0809","","","","","","1.061","","","","has coordinates,has Fobs","253532","2020-10-21","18:00:00",""
"2101703","5.33","0.006","5.33","0.006","7.086","0.005","90","","90","","90","","201.3","0.4","293","","293","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Sodium magnesiosilicate","","- Mg0.9 Na1.8 O4 Si1.1 -","- Mg0.9 Na1.8 O4 Si1.1 -","- Mg1.8 Na3.6 O8 Si2.2 -","2","0.25","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates","Acta Crystallographica Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102133","10.594","0.001","10.594","0.001","13.771","0.003","90","","90","","90","","1545.6","0.4","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(R,R)-(+)-Tartaric acid N-methyldiamide","","- C5 H10 N2 O4 -","- C5 H8.8 N2 O4 -","- C40 H70.4 N16 O32 -","8","1","CF0011","Rychlewska, Urszula; Warżajtis, Beata","Packing modes of (<i>R</i>,<i>R</i>)-tartaric acid esters and amides","Acta Crystallographica Section B","2000","56","5","833","848","10.1107/S0108768100004274","","","0.71073","MoKα","","0.0596","0.0415","","0.1223","0.1121","","","","1.103","1.118","1.118","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102683","10.2852","0.0003","10.2852","0.0003","22.2862","0.0013","90","","90","","90","","2357.55","0.17","118","2","118","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Trans-(di(N,N-diethyl-(2-phenyldiazenyl)thioformamide-κS,κN^2^))nickel","","- C22 H30 N6 Ni S2 -","- C22 H30 N6 Ni S2 -","- C88 H120 N24 Ni4 S8 -","4","0.5","BK5045","Nielsen, Kim T.; Harris, Pernille; Bechgaard, Klaus; Krebs, Frederik C.","Structural study of four complexes of the <i>M</i>-N~2~S~2~ type derived from diethylphenylazothioformamide and the metals palladium, platinum, copper and nickel","Acta Crystallographica Section B","2007","63","1","151","156","10.1107/S0108768106047306","","","0.71073","MoKα","","0.0373","0.0342","","","0.0771","0.0781","","","","","","1.158","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102684","10.2643","0.0004","10.2643","0.0004","22.3519","0.0013","90","","90","","90","","2354.9","0.19","118","","118","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Trans-(di(N,N-diethyl-(2-phenyldiazenyl)thioformamide-κS,κN^2^))copper","","- C22 H30 Cu N6 S2 -","- C22 H30 Cu N6 S2 -","- C88 H120 Cu4 N24 S8 -","4","0.5","BK5045","Nielsen, Kim T.; Harris, Pernille; Bechgaard, Klaus; Krebs, Frederik C.","Structural study of four complexes of the <i>M</i>-N~2~S~2~ type derived from diethylphenylazothioformamide and the metals palladium, platinum, copper and nickel","Acta Crystallographica Section B","2007","63","1","151","156","10.1107/S0108768106047306","","","0.71073","MoKα","","0.0242","0.0237","","","0.0699","0.0702","","","","","","1.097","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103187","5.816","","5.816","","13.747","","90","","90","","90","","465.004","","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Pyridine N-oxide","","- C5 H5 N O -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","warnings","has coordinates","249446","2020-10-21","18:00:00",""
"2103188","9.591","","9.591","","13.431","","90","","90","","90","","1235.48","","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","2,2'-(Methylenedioxy)-bis(phenyl-isocyanide)","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199471","2020-10-21","18:00:00",""
"2104051","7.1582","0.0001","7.1582","0.0001","47.5286","0.0006","90","","90","","90","","2435.36","0.06","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","N-Acetyl-L-phenylalanine methyl ester hemihydrate","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","0.5","BM5052","Janik, Alicja; Jarocha, Monika; Stadnicka, Katarzyna","Pseudopolymorphism of <i>N</i>-acetyl-<small>L</small>-phenylalanine methyl ester","Acta Crystallographica Section B","2008","64","2","223","229","10.1107/S010876810800219X","","","0.71073","MoKα","","0.0673","0.0446","","","0.1102","0.1192","","","","","","1.064","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104052","7.09","0.0001","7.09","0.0001","47.1426","0.0005","90","","90","","90","","2369.77","0.05","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","N-Acetyl-L-phenylalanine methyl ester hemihydrate","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","0.5","BM5052","Janik, Alicja; Jarocha, Monika; Stadnicka, Katarzyna","Pseudopolymorphism of <i>N</i>-acetyl-<small>L</small>-phenylalanine methyl ester","Acta Crystallographica Section B","2008","64","2","223","229","10.1107/S010876810800219X","","","0.71073","MoKα","","0.0386","0.0346","","","0.0903","0.0931","","","","","","1.079","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104246","8.11","0.002","8.11","0.002","27.247","0.003","90","","90","","90","","1792.1","0.7","323","2","323","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","diaqua(15-crown-5)cobalt(II) nitrate","","- C10 H24 Co N2 O13 -","- C10 H24 Co N2 O13 -","- C40 H96 Co4 N8 O52 -","4","0.5","BS5069","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~","Acta Crystallographica Section B","2008","64","6","738","749","10.1107/S0108768108034046","","","1.54178","CuKα","","0.0447","0.0405","","","0.1067","0.1093","","","","","","1.279","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104411","7.13577","0.00017","7.13577","0.00017","9.5908","0.0003","90","","90","","90","","488.36","0.02","334","2","334","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Strontium diformate","Strontium diformate","","- C2 H2 O4 Sr -","- C2 H2 O4 Sr -","- C8 H8 O16 Sr4 -","4","0.5","ZB5005","Ståhl, Kenny; Andersen, Jens E. T.; Shim, Irene; Christgau, Stephan","Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study","Acta Crystallographica Section B","2009","65","4","481","487","10.1107/S0108768109023489","powder diffraction","","1.28406","synchrotron","","","","","","","","","","12.96","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104412","7.09951","0.00007","7.09951","0.00007","10.04048","0.00013","90","","90","","90","","506.071","0.01","540","2","540","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Strontium diformate","Strontium diformate","","- C2 H2 O4 Sr -","- C2 H2 O4 Sr -","- C8 H8 O16 Sr4 -","4","0.5","ZB5005","Ståhl, Kenny; Andersen, Jens E. T.; Shim, Irene; Christgau, Stephan","Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study","Acta Crystallographica Section B","2009","65","4","481","487","10.1107/S0108768109023489","powder diffraction","","1.28406","synchrotron","","","","","","","","","","6.86","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104620","15.4073","0.0002","15.4073","0.0002","19.6748","0.0003","90","","90","","90","","4670.5","0.11","10","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","N-oxipicoline","4-methylpyridine-N-oxide","","- C6 D7 N O -","- C6 D6.75 N O -","- C192 D216 N32 O32 -","32","4","BK5090","Palatinus, Lukáš; Damay, Françoise","Towards a more reliable symmetry determination from powder diffraction: a redetermination of the low-temperature structure of 4-methylpyridine-<i>N</i>-oxide","Acta Crystallographica Section B","2009","65","6","784","786","10.1107/S0108768109042608","powder diffraction","neutron","1.2253","ConstantWavelengthNeutronDiffraction","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105865","5.6634","0.0008","5.6634","0.0008","13.645","0.003","90","","90","","90","","437.65","0.13","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Pyridine-N-oxide","Pyridine-N-oxide","","- C5 H5 N O -","- C5 H5 N O -","- C20 H20 N4 O4 -","4","0.5","ZB5041","Patyk, Ewa; Marciniak, Jedrzej; Tomkowiak, Hanna; Katrusiak, Andrzej; Merz, Klaus","Isothermal and isochoric crystallization of highly hygroscopic pyridine <i>N</i>-oxide of aqueous solution","Acta Crystallographica Section B","2014","70","3","487","491","10.1107/S2052520614011226","","","0.71073","MoKα","","0.0467","0.0438","","","0.0979","0.0997","","","","","","1.114","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105866","5.6608","0.0008","5.6608","0.0008","13.625","0.003","90","","90","","90","","436.61","0.13","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Pyridine-N-oxide","Pyridine-N-oxide","","- C5 H5 N O -","- C5 H5 N O -","- C20 H20 N4 O4 -","4","0.5","","Patyk, Ewa; Marciniak, Jedrzej; Tomkowiak, Hanna; Katrusiak, Andrzej; Merz, Klaus","Isothermal and isochoric crystallization of highly hygroscopic pyridine <i>N</i>-oxide of aqueous solution","Acta Crystallographica Section B","2014","70","3","487","491","10.1107/S2052520614011226","","","0.71073","MoKα","","0.053","0.0425","","","0.097","0.1016","","","","","","1.151","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105867","5.589","0.0008","5.589","0.0008","13.55","0.003","90","","90","","90","","423.26","0.13","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Pyridine-N-oxide","Pyridine-N-oxide","","- C5 H5 N O -","- C5 H5 N O -","- C20 H20 N4 O4 -","4","0.5","","Patyk, Ewa; Marciniak, Jedrzej; Tomkowiak, Hanna; Katrusiak, Andrzej; Merz, Klaus","Isothermal and isochoric crystallization of highly hygroscopic pyridine <i>N</i>-oxide of aqueous solution","Acta Crystallographica Section B","2014","70","3","487","491","10.1107/S2052520614011226","","","0.71073","MoKα","","0.0385","0.0283","","","0.059","0.0613","","","","","","1.127","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105868","5.5678","0.0014","5.5678","0.0014","13.514","0.004","90","","90","","90","","418.94","0.19","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Pyridine-N-oxide","Pyridine-N-oxide","","- C5 H5 N O -","- C5 H5 N O -","- C20 H20 N4 O4 -","4","0.5","","Patyk, Ewa; Marciniak, Jedrzej; Tomkowiak, Hanna; Katrusiak, Andrzej; Merz, Klaus","Isothermal and isochoric crystallization of highly hygroscopic pyridine <i>N</i>-oxide of aqueous solution","Acta Crystallographica Section B","2014","70","3","487","491","10.1107/S2052520614011226","","","0.71073","MoKα","","0.0511","0.0429","","","0.1004","0.1038","","","","","","1.108","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105869","5.498","0.0008","5.498","0.0008","13.334","0.003","90","","90","","90","","403.06","0.12","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Pyridine-N-oxide","Pyridine-N-oxide","","- C5 H5 N O -","- C5 H5 N O -","- C20 H20 N4 O4 -","4","0.5","","Patyk, Ewa; Marciniak, Jedrzej; Tomkowiak, Hanna; Katrusiak, Andrzej; Merz, Klaus","Isothermal and isochoric crystallization of highly hygroscopic pyridine <i>N</i>-oxide of aqueous solution","Acta Crystallographica Section B","2014","70","3","487","491","10.1107/S2052520614011226","","","0.71073","MoKα","","0.0641","0.061","","","0.1721","0.1755","","","","","","1.188","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105956","14.3249","0.0015","14.3249","0.0015","22.202","0.004","90","","90","","90","","4555.9","1.1","120","2","120","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Sodium sulfate heptahydrate","","- H14 Na2 O11 S -","- H14 Na2 O11 S -","- H224 Na32 O176 S16 -","16","2","","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate","Acta Crystallographica Section B","2014","70","4","714","722","10.1107/S2052520614007653","","","0.71073","MoKα","","0.0499","0.028","","","0.1023","0.1096","","","","","","1.064","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106317","5.385","","5.385","","15.798","","90","","90","","90","","458.114","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Mg As4","","- As4 Mg -","- As4 Mg -","- As16 Mg4 -","4","0.5","","Gerardin, R.; Aubry, J.","Structure cristalline de la phase Mg As4","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2091","2094","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106470","7.104","","7.104","","36.597","","90","","90","","90","","1846.93","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- Ni2 Y3 -","- Ni2 Y3 -","- Ni32 Y48 -","16","2","","le Roy, J.; Moreau, J.M.; Paccard, D.; Parthe, E.","Y3 Ni2: A new tetragonal phase with Ni-centred trigonal prism","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3406","3409","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106589","8.9097","","8.9097","","8.7153","","90","","90","","90","","691.845","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- Mn5 Si2 -","- Mn5 Si2 -","- Mn40 Si16 -","8","1","","Shoemaker, C.B.; Shoemaker, D.P.","Crystal structure of Mn5 Si2 and the d phase (V-Fe-Si)*","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2306","2313","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107164","6.73","","6.73","","6.83","","90","","90","","90","","309.351","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- H2 O -","- H2 O -","- H24 O12 -","12","1.5","","Kamb, B.; Prakash, A.","Structure of ice III","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1317","1327","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2108472","12.89179","0.00007","12.89179","0.00007","29.5087","0.0003","90","","90","","90","","4904.29","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H28 N2 O8.5 S -","- C25 H28 N2 O8.5 S -","- C200 H224 N16 O68 S8 -","8","1","","Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.","Understanding the formation of apremilast cocrystals","Acta Crystallographica Section B","2019","75","5","","","10.1107/S205252061900917X","","x-ray","1.54184","CuKα","","0.0473","0.0471","","","0.1321","0.1322","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","218152","2020-10-21","18:00:00",""
"2108473","12.81222","0.00008","12.81222","0.00008","29.7274","0.0003","90","","90","","90","","4879.84","0.07","100","0.1","100","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H27 N3 O7.5 S -","- C25 H27 N3 O7.5 S -","- C200 H216 N24 O60 S8 -","8","1","","Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.","Understanding the formation of apremilast cocrystals","Acta Crystallographica Section B","2019","75","5","","","10.1107/S205252061900917X","","x-ray","1.54184","CuKα","","0.0581","0.0579","","","0.1596","0.1599","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","218152","2020-10-21","18:00:00",""
"2108474","12.85808","0.00014","12.85808","0.00014","29.5715","0.0004","90","","90","","90","","4889.06","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C23.5 H25 N3 O7.5 S -","- C23.5 H27 N3 O7.5 S -","- C188 H216 N24 O60 S8 -","8","1","","Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.","Understanding the formation of apremilast cocrystals","Acta Crystallographica Section B","2019","75","5","","","10.1107/S205252061900917X","","x-ray","1.54184","CuKα","","0.0638","0.0629","","","0.1775","0.179","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","218152","2020-10-21","18:00:00",""
"2108475","12.88747","0.00007","12.88747","0.00007","29.5246","0.0003","90","","90","","90","","4903.65","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H28 N2 O8.5 S -","- C25 H28 N2 O8.5 S -","- C200 H224 N16 O68 S8 -","8","1","","Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.","Understanding the formation of apremilast cocrystals","Acta Crystallographica Section B","2019","75","5","","","10.1107/S205252061900917X","","x-ray","1.54184","CuKα","","0.0599","0.0596","","","0.1718","0.1722","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","218152","2020-10-21","18:00:00",""
"2200065","9.7249","0.0001","9.7249","0.0001","17.3867","0.0003","90","","90","","90","","1644.32","0.04","298","2","298","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Tris(dimethyltin sulfide)","","- C6 H18 S3 Sn3 -","- C6 H18 S3 Sn3 -","- C24 H72 S12 Sn12 -","4","0.5","NA6025","Farina, Yang; Baba, Ibrahim; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Tetragonal modification of 1,1,3,3,5,5-hexamethylcyclo-1,3,5-tristannathiane","Acta Crystallographica Section E","2001","57","1","m37","m38","10.1107/S1600536800020134","","","0.71073","MoKα","","0.055","0.037","","","","0.08","","","","","","0.937","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200823","12.805","0.002","12.805","0.003","54.013","0.011","90","","90","","90","","8856","3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","ccs","[cis,cis]-Ceratospongamide cyclo(-Ile-Oxz-Phe-Pro-Thz-Phe-Pro-) Oxz=oxazoline, Thz=thiazole","","- C41 H49 N7 O6 S -","- C41 H49 N7 O6 S -","- C328 H392 N56 O48 S8 -","8","1","BT6093","Mitsunobu Doi; Aiko Yumiba; Akiko Asano","The <i>cis,cis</i>-proline isomer of ceratospongamide","Acta Crystallographica Section E","2002","58","1","o62","o64","10.1107/S1600536801021079","","","1.5418","CuKα","","0.2172","0.0981","","","0.1264","0.1554","","","","","","1.688","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201186","6.103","0.0003","6.103","0.0003","36.826","0.002","90","","90","","90","","1371.64","0.12","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Poly[triaqua(μ-hydrogen tartrato)(μ-tartrato)samarium(III)]","","- C8 H15 O15 Sm -","- C8 H14 O15 Sm -","- C32 H56 O60 Sm4 -","4","0.5","TK6058","Wu, Chuan-De; Zhan, Xiao-Ping; Lu, Can-Zhong; Zhuang, Hong-Hui; Huang, Jin-Shun","Poly[triaqua(μ-hydrogen tartrato)(μ-tartrato)samarium(III)]","Acta Crystallographica Section E","2002","58","5","m228","m230","10.1107/S1600536802007420","","","0.71073","MoKα","","0.029","0.028","","","0.071","0.072","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201613","11.438","0.002","11.438","0.002","14.284","0.002","90","","90","","90","","1868.7","0.5","296","","296","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Cyclopropyl meta-nitrophenyl ketone","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C80 H72 N8 O24 -","8","1","OM6108","Kolb, Vera M.; Donahue, Matthew G.; Putnam, Eric A.; Meyers, Cal Y.; Robinson, Paul D.","Cyclopropyl <i>m</i>-nitrophenyl ketone","Acta Crystallographica Section E","2002","58","10","o1161","o1163","10.1107/S1600536802017142","","","0.71069","MoKα","","0.107","0.04","","","0.085","0.105","","","","","","0.976","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201918","14.9188","0.0009","14.9188","0.0009","17.8355","0.0006","90","","90","","90","","3969.7","0.4","150","2","150","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","4,4'-Di-isobutyroyl-2,2',3,3',6,6'-hexacetyl-α,α'-trehalose","","- C32 H46 O19 -","- C32 H46 O19 -","- C128 H184 O76 -","4","0.5","CM6042","Thomas C. Baddeley; Simon M. Clow; Philip J. Cox; Iain G. Davidson; Clare Ryder; James L. Wardell","Disordered 4,4'-di-<i>O</i>-isobutyroyl-2,2',3,3',6,6'-hex-<i>O</i>-acetyl-α,α'-trehalose","Acta Crystallographica Section E","2003","59","6","o848","o850","10.1107/S1600536803010729","","","0.71073","MoKα","","0.1031","0.0534","","","0.1295","0.1545","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202733","12.2645","0.0015","12.2645","0.0015","34.372","0.006","90","","90","","90","","5170.2","1.3","160","2","160","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(18-Crown-6)-bis(tetrahydrofuran)potassium iodide","","- C20 H40 I K O8 -","- C20 H40 I K O8 -","- C160 H320 I8 K8 O64 -","8","1","LH6144","Liddle, Stephen T.; Clegg, William","(18-Crown-6)-bis(tetrahydrofuran)potassium iodide","Acta Crystallographica Section E","2003","59","12","m1184","m1186","10.1107/S160053680302676X","","","0.71073","MoKα","","0.0443","0.0371","","","0.0785","0.0809","","","","","","1.104","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202769","11.536","0.003","11.536","0.003","43.015","0.003","90","","90","","90","","5724","2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(R,R,R,R)10,21-Di-tert-butyl-4,5,15,16-tetraphenyl-3,6,14,17-tetraaza -tricyclo[17.3.1.18,12]tetracosa-1(23),2,6,8,10,12(24),13,17, 19,21-decaene-23,24-diol ethane-1,2-diol dinuclear Nickel(II) diperchlorate bishydrate complex","","- C54 H60 Cl2 N4 Ni2 O14 -","- C54 H60 Cl2 N4 Ni2 O14 -","- C216 H240 Cl8 N16 Ni8 O56 -","4","0.5","OB6245","Wu, Jin-Cai; Li, Yi-Zhi; Tang, Ling; Tan, Min-Yu","[μ-10,21-Di-<i>tert</i>-butyl-4(<i>S</i>),5(<i>S</i>),15(<i>S</i>),16(<i>S</i>)-tetraphenyl-3,6,14,17-tetraazatricyclo[17.3.1.18,12]tetracosa-1(23),2,6,8,10,12(24),13,17,19,21-decaene-23,24-diolato](μ-ethylene glycol)dinickel(II) diperchlorate dihydrate","Acta Crystallographica Section E","2003","59","7","m494","m496","10.1107/S1600536803012868","","","0.71073","MoKα","","0.0496","0.0471","","","0.1583","0.159","","","","","","1.092","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203693","12.377","0.003","12.377","0.003","18.296","0.001","90","","90","","90","","2802.8","1","220","2","220","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H34 N2 O4 S5 -","- C24 H34 N2 O4 S5 -","- C96 H136 N8 O16 S20 -","4","0.5","YA6205","Blake, Alexander J.; Lippolis, Vito; Schröder, Martin","10,13-Bis(<i>p</i>-tolylsulfonyl)-1,4,7-trithia-10,13-diazacyclopentadecane","Acta Crystallographica Section E","2004","60","5","o901","o903","10.1107/S1600536804009201","","","0.71073","MoKα","","0.129","0.07","","","0.117","0.149","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204132","7.623","0.0002","7.623","0.0002","33.8174","0.001","90","","90","","90","","1965.13","0.09","150","","150","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(1R,2R,3S,6S,7S,7aR)-3-Hydroxymethyl-1,2,6,7- tetrahydroxypyrrolizidine monohydrate or (2S,3R,4R,5R,6S,7S)-2-Hydroxymethyl- 1-azabicyclo[3.3.0]-octan-3,4,6,7-tetraol monohydrate","","- C8 H17 N O6 -","- C8 H17 N O6 -","- C64 H136 N8 O48 -","8","1","CF6365","Christopher Newton; Jeroen van Ameijde; George W. J. Fleet; Robert J. Nash; Watkin, David J.","3-<i>epi</i>-Casuarine monohydrate","Acta Crystallographica Section E","2004","60","9","o1463","o1464","10.1107/S1600536804018665","","","0.71073","MoKα","","0.0469","0.0469","","0.0723","0.0723","0.0723","","","","","","1.0139","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204563","8.2446","0.0005","8.2446","0.0005","25.088","0.004","90","","90","","90","","1705.3","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","(-)-α-isosparteine copper(II) dinitrite","[(6R,7S,8S,14R)-(-)-α-Isosparteine-κ^2^N,N']bis(nitrito-κ^2^O,O')copper(II)","","- C15 H26 Cu N4 O4 -","- C15 H26 Cu N4 O4 -","- C60 H104 Cu4 N16 O16 -","4","0.5","RZ6006","Shim, Yoon-Bo; Choi, Sung-Nak; Lee, Seung Jae; Kang, Sung Kwon; Lee, Yong-Min","[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>R</i>)-(‒)-α-Isosparteine-κ^2^<i>N</i>,<i>N</i>']bis(nitrito-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2004","60","11","m1573","m1575","10.1107/S1600536804024249","","","0.71073","MoKα","","0.0693","0.0398","","","0.0748","0.0827","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206708","5.744","0.0006","5.744","","31.393","0.003","90","","90","","90","","1035.77","0.15","295","2","295","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","1,8-Dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","0.5","HG6225","Zain, Sharifuddin M.; Ng, Seik Weng","1,8-Dihydroxyanthraquinone","Acta Crystallographica Section E","2005","61","9","o2921","o2923","10.1107/S1600536805025948","","","0.71073","MoKα","","0.074","0.047","","","0.138","0.153","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207018","9.9452","0.0003","9.9452","","22.581","0.002","90","","90","","90","","2233.4","0.2","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Bis[2-(benzimidazol-2-yl)phenolato-κ^2^N,O] cobalt(II)","","- C26 H18 Co N4 O2 -","- C26 H18 Co N4 O2 -","- C104 H72 Co4 N16 O8 -","4","0.5","NG6183","Bu, Huai-Yu; Liu, Yong-Jun; Liu, Qing-Fang; Jia, Jing-Fen","Bis[2-(benzimidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(II)","Acta Crystallographica Section E","2005","61","10","m1986","m1987","10.1107/S1600536805028084","","","0.71073","MoKα","","0.0519","0.044","","","0.111","0.1144","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208903","13.115","0.005","13.115","0.005","39.441","0.015","90","","90","","90","","6784","4","168","2","168","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","1D-1,2,5,6-Tetra-O-methyl-3,4-di-O-phosphinoyl-chiro-inositol 2.5-hydrate","","- C34 H43 O10.5 P2 -","- C34 H42 O10.5 P2 -","- C272 H336 O84 P16 -","8","1","HG2027","Gainsford, Graeme J.; Lensink, Cornelis; Falshaw, Andrew","1<small>D</small>-1,2,5,6-Tetra-<i>O</i>-methyl-3,4-di-<i>O</i>-phosphinoyl-<i>chiro</i>-inositol 2.5-hydrate","Acta Crystallographica Section E","2006","62","5","o2099","o2101","10.1107/S1600536806015029","","","0.71073","MoKα","","0.256","0.0662","","","0.1345","0.1857","","","","","","0.85","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209097","9.6392","0.0013","9.6392","0.0013","31.162","0.006","90","","90","","90","","2895.4","0.8","294","2","294","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","N-cyclohexyl-2-nitrobenzenesulfonamide","","- C12 H16 N2 O4 S -","- C12 H16 N2 O4 S -","- C96 H128 N16 O32 S8 -","8","1","BT2069","Yu-Ye Yu","<i>N</i>-Cyclohexyl-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2006","62","6","o2263","o2264","10.1107/S1600536806016953","","","0.71073","MoKα","","0.0771","0.0429","","","0.0916","0.1046","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209851","7.9687","0.0003","7.9687","0.0003","17.7213","0.0011","90","","90","","90","","1125.31","0.09","295","2","295","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Poly[zinc(II)-μ~2~-4,4'-bipyridine-di-μ~2~-formato]","","- C12 H10 N2 O4 Zn -","- C12 H10 N2 O4 Zn -","- C48 H40 N8 O16 Zn4 -","4","0.5","HB2103","Miao, Xiao-He; Xiao, Hong-Ping; Zhu, Long-Guan","Poly[zinc(II)-μ~2~-4,4'-bipyridine-di-μ~2~-formato]: a chiral three-dimensional coordination polymer","Acta Crystallographica Section E","2006","62","8","m1756","m1757","10.1107/S1600536806025724","","","0.71073","MoKα","","0.0198","0.0194","","","0.0575","0.0586","","","","","","0.872","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210089","7.861","0.013","7.861","0.013","20.92","0.05","90","","90","","90","","1293","4","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","Cobalt nicotinate","Poly[di-μ-nicotinato-cobalt(II)]","","- C12 H8 Co N2 O4 -","- C12 H8 Co N2 O4 -","- C48 H32 Co4 N8 O16 -","4","0.5","BI2036","Wen-Jun Feng; Guang-Peng Zhou; Xue-Fang Zheng; Yu-Guo Liu; Yan Xu","Poly[di-μ-nicotinato-cobalt(II)]","Acta Crystallographica Section E","2006","62","9","m2033","m2035","10.1107/S1600536806029400","","","0.71073","MoKα","","0.0821","0.0606","","","0.1662","0.1731","","","","","","1.071","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210319","12.4631","0.0007","12.4631","0.0007","24.538","0.003","90","","90","","90","","3811.5","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Bis(2-aminonaphthalene-1-sulfonato-κO)bis(1,10-phenanthroline)zinc(II)","","- C44 H32 N6 O6 S2 Zn -","- C44 H32 N6 O6 S2 Zn -","- C176 H128 N24 O24 S8 Zn4 -","4","0.5","LH2141","Pei-Xia Dai; Jian-Hua Guo; En-Cui Yang","Bis(2-aminonaphthalene-1-sulfonato-κ<i>O</i>)bis(1,10-phenanthroline)zinc(II)","Acta Crystallographica Section E","2006","62","9","m2096","m2098","10.1107/S1600536806028261","","","0.71073","MoKα","","0.0255","0.0232","","","0.0586","0.0595","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211264","10.3578","0.0006","10.3578","0.0006","25.651","0.003","90","","90","","90","","2751.9","0.4","295","2","295","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Bis[2-hydroxy-N'-(2-methoxybenzylidene)benzohydrazide]zinc(II)","","- C30 H26 N4 O6 Zn -","- C30 H26 N4 O6 Zn -","- C120 H104 N16 O24 Zn4 -","4","0.5","AT2156","Yu, Zong-Xue; Qi, Jun-Sheng; Liang, Ke-Zhong; Sun, Yu-Xi","Bis[2-hydroxy-<i>N</i>'-(2-methoxybenzylidene)benzohydrazidato]zinc(II)","Acta Crystallographica Section E","2006","62","12","m3284","m3286","10.1107/S1600536806046745","","","0.71073","MoKα","","0.0391","0.0374","","","0.1031","0.1046","","","","","","1.143","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211351","9.2157","0.0003","9.2157","0.0003","37.458","0.003","90","","90","","90","","3181.3","0.3","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Triaqua-bis[bis(3,5-dimethyl-1,2,4-triazol-1-yl)methane]- copper(II) bis(perchlorate)","","- C18 H34 Cl2 Cu N12 O11 -","- C18 H34 Cl2 Cu N12 O11 -","- C72 H136 Cl8 Cu4 N48 O44 -","4","0.5","CV2135","Xiang, Qun; Cheng, Yu; Ling, Yun; Zhang, Lei; Shi, Li-Yi","Triaquabis[bis(3,5-dimethyl-1,2,4-triazol-1-yl)methane-κ<i>N</i>^4^]copper(II) bis(perchlorate)","Acta Crystallographica Section E","2006","62","12","m3462","m3464","10.1107/S1600536806048318","","","0.71073","MoKα","","0.0461","0.0419","","","0.1155","0.1186","","","","","","1.074","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211507","12.468","0.003","12.468","0.003","24.51","0.009","90","","90","","90","","3810.1","1.9","294","2","294","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Bis(2-aminonaphthalene-1-sulfonato-κO)bis(1,10-phenanthroline- κ^2^N,N')cobalt(II)","","- C44 H32 Co N6 O6 S2 -","- C44 H32 Co N6 O6 S2 -","- C176 H128 Co4 N24 O24 S8 -","4","0.5","LH2232","Jian-Hua Sun; Xin Feng","Bis(2-aminonaphthalene-1-sulfonato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2006","62","12","m3370","m3372","10.1107/S1600536806046964","","","0.71073","MoKα","","0.0272","0.0239","","","0.0619","0.0628","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211925","8.518","0.001","8.518","0.001","38.236","0.005","90","","90","","90","","2774.3","0.6","100","","100","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","(1S,4R)-1,2,3,4,7,7-Hexachloro-5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2,5-diene","","- C9 H4 Cl8 -","- C9 H4 Cl8 -","- C72 H32 Cl64 -","8","1","SA2026","Wilson, Zakiya S.; Davila, Alfonso; McLaughlin, Mark L.; Watkins, Steven F.; Fronczek, Frank R.","(1<i>S</i>,4<i>R</i>)-1,2,3,4,7,7-Hexachloro-5,6-bis(chloromethyl)bicyclo[2.2.1]hepta-2,5-diene","Acta Crystallographica Section E","2007","63","1","o303","o305","10.1107/S1600536806052676","","","0.71073","MoKα","","0.039","0.025","","","0.044","0.045","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213357","8.3839","0.0005","8.3839","0.0005","24.1471","0.0019","90","","90","","90","","1697.3","0.2","100","1","100","1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Di-μ-bromido-bis[(η^4^-cycloocta-1,5-diene)iridium(I)]","","- C16 H24 Br2 Ir2 -","- C16 H24 Br2 Ir2 -","- C64 H96 Br8 Ir8 -","4","0.5","HB2369","Tsuneaki Yamagata; Mitsuhiro Nagata; Kazushi Mashima; Kazuhide Tani","Di-μ-bromido-bis[(η^4^-cycloocta-1,5-diene)iridium(I)]","Acta Crystallographica Section E","2007","63","5","m1498","m1498","10.1107/S1600536807019769","","","0.71075","MoKα","","0.0408","0.0335","","","0.0621","0.0637","","","","","","1.089","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214211","11.3285","0.0006","11.3285","","23.837","0.001","90","","90","","90","","3059.1","0.2","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-(+)-2,2'-Bis(2-hydroxy-3-methoxybenzylideneamino)-1,1'-binaphthyl","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C144 H112 N8 O16 -","4","0.5","HB2421","Chai, Wen-Li; Bi, Wei-Yu; Lü, Xing-Qiang; Song, Ji-Rong; Ng, Seik Weng","(<i>S</i>)-(+)-2,2'-Bis(2-hydroxy-3-methoxybenzylideneamino)-1,1'-binaphthyl","Acta Crystallographica Section E","2007","63","7","o3060","o3060","10.1107/S1600536807025937","","","0.71073","MoKα","","0.081","0.058","","","0.164","0.203","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214380","10.8327","0.00015","10.8327","0.00015","29.1244","0.0006","90","","90","","90","","3417.67","0.1","373","2","373","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","Pt(dpdpc)2(BF4)2","Bis(<i>cis</i>-1,4-diphenyl-1,4-diphosphacyclohexane-κ^2^P,P')platinum(II) bis(tetrafluoridoborate)","","- C32 H36 B2 F8 P4 Pt -","- C32 H36 B2 F8 P4 Pt -","- C128 H144 B8 F32 P16 Pt4 -","4","0.5","RK2020","Morey, Tara S.; Miller, Susie M.; Helm, Monte L.","Bis(<i>cis</i>-1,4-diphenyl-1,4-diphosphacyclohexane-κ^2^<i>P</i>,<i>P</i>')platinum(II) bis(tetrafluoridoborate)","Acta Crystallographica Section E","2007","63","7","m1983","m1983","10.1107/S1600536807030115","","","0.71073","MoKα","","0.018","0.0156","","","0.0321","0.0326","","","","","","0.98","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214993","7.9963","0.0008","7.9963","0.0008","25.793","0.004","90","","90","","90","","1649.2","0.3","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","3a-Bromoperhydro-2,6a-epoxyoxireno[e][2]benzofuran","","- C8 H9 Br O3 -","- C8 H9 Br O3 -","- C64 H72 Br8 O24 -","8","1","BT2437","Koşar, Başak; Karaarslan, Muhsin; Demircan, Aydın; Büyükgüngör, Orhan","3a-Bromoperhydro-2,6a-epoxyoxireno[<i>e</i>][2]benzofuran","Acta Crystallographica Section E","2007","63","9","o3691","o3691","10.1107/S1600536807037233","","","0.71073","MoKα","","0.0626","0.0452","","","0.0971","0.1102","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216591","11.607","0.003","11.607","0.003","14.101","0.004","90","","90","","90","","1899.7","0.9","296","1","296","1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","9,9-Bis(4-methoxyphenyl)-9<i>H</i>-cyclopenta[2,1-<i>b</i>:3,4- <i>b</i>']dipyridine","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C100 H80 N8 O8 -","4","0.5","IS2226","Ono, Katsuhiko; Tomura, Masaaki; Saito, Katsuhiro","9,9-Bis(4-methoxyphenyl)-9<i>H</i>-cyclopenta[2,1-<i>b</i>:3,4-<i>b</i>']dipyridine","Acta Crystallographica Section E","2007","63","12","o4612","o4612","10.1107/S1600536807055626","","","0.71073","MoKα","","0.0974","0.091","","","0.1451","0.1469","","","","","","1.439","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217758","10.6004","0.0002","10.6004","0.0002","20.4365","0.0006","90","","90","","90","","2296.42","0.09","296","","296","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","1,3-Bis(3-phenylpropyl)1H-benzimidazole-2(3H)-tellurone","","- C25 H26 N2 Te -","- C25 H26 N2 Te -","- C100 H104 N8 Te4 -","4","0.5","EZ2117","Yalçın, Şerife Pınar; Akkurt, Mehmet; Yılmaz, Ülkü; Küçükbay, Hasan; Büyükgüngör, Orhan","1,3-Bis(3-phenylpropyl)-1<i>H-</i>benzimidazole-2(3<i>H</i>)-tellurone","Acta Crystallographica Section E","2008","64","3","o621","o622","10.1107/S1600536808004893","","","0.71073","MoKα","","0.0395","0.0374","","","0.1036","0.1052","","","","","","1.093","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218024","9.445","0.003","9.445","0.003","27.107","0.006","90","","90","","90","","2418.2","1.2","150","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","1-Benzyl-3-(2-furoyl)thiourea","","- C13 H12 N2 O2 S -","- C13 H12 N2 O2 S -","- C104 H96 N16 O16 S8 -","8","1","XU2401","Pérez, Hiram; Mascarenhas, Yvonne; Estévez-Hernández, Osvaldo; Santos Jr, Sauli; Duque, Julio","1-Benzyl-3-(2-furoyl)thiourea","Acta Crystallographica Section E","2008","64","4","o695","","10.1107/S1600536808006181","","","0.71073","MoKα","","","0.0352","","","","0.0849","","","","","","1.056","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218046","13.5981","0.001","13.5981","0.001","18.726","0.0019","90","","90","","90","","3462.6","0.5","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Bispuupehenone","","- C42 H54 O6 -","- C42 H54 O6 -","- C168 H216 O24 -","4","0.5","BH2164","Qin, Song; Shi, Lei; Li, Jia; Guo, Yue-Wei","Bispuupehenone from the South Chinese Sea sponge <i>Dysidea</i> sp.","Acta Crystallographica Section E","2008","64","5","o946","o947","10.1107/S1600536808011987","","","0.71073","MoKα","","0.0599","0.0449","","","0.1067","0.1129","","","","","","0.945","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218747","14.6374","0.0005","14.6374","0.0005","27.3945","0.0014","90","","90","","90","","5869.4","0.4","293","2","273","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Bis[4,5-dimethyl-2-(2-pyridyl)-1H-imidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^](1H- imidazole-κ<i>N</i>^3^)copper(II) bis(perchlorate)","","- C23 H26 Cl2 Cu N8 O8 -","- C23 H26 Cl2 Cu N8 O8 -","- C184 H208 Cl16 Cu8 N64 O64 -","8","1","KJ2084","Liu, Chunyi; Zhou, Anyu; Wang, Songpei; Chen, Zhengping","Bis[4,5-dimethyl-2-(2-pyridyl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^](1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) bis(perchlorate)","Acta Crystallographica Section E","2008","64","7","m914","m915","10.1107/S1600536808017273","","","0.71073","MoKα","","0.052","0.0484","","","0.1154","0.1168","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218778","9.5706","0.0008","9.5706","0.0008","29.911","0.004","90","","90","","90","","2739.7","0.5","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","dichloridobis[2-(2-chloroethyl)-1,2,3,4- tetrahydropyrazino[1,2-<i>a</i>]benzimidazole-κ<i>N</i>]cobalt(II)","","- C24 H28 Cl4 Co N6 -","- C24 H28 Cl4 Co N6 -","- C96 H112 Cl16 Co4 N24 -","4","0.5","OM2235","Zhang, Zhong; Zhao, Yao; Geng, Zhi-Rong; Wang, Zhi-Lin","Dichloridobis[2-(2-chloroethyl)-1,2,3,4-tetrahydropyrazino[1,2-<i>a</i>]benzimidazole-κ<i>N</i>]cobalt(II)","Acta Crystallographica Section E","2008","64","7","m942","m943","10.1107/S1600536808018011","","","0.71073","MoKα","","0.0727","0.0551","","","0.1251","0.1305","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219327","7.39307","0.00013","7.39307","0.00013","20.1623","0.0004","90","","90","","90","","1102.02","0.04","193","","193","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","2,2'-Dimethoxybiphenyl","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","0.5","FL2209","Nakaema, Kosuke; Okamoto, Akiko; Maruyama, Satoshi; Noguchi, Keiichi; Yonezawa, Noriyuki","2,2'-Dimethoxybiphenyl","Acta Crystallographica Section E","2008","64","9","o1731","","10.1107/S1600536808025178","","","1.54187","CuKα","","0.0246","0.0243","","","0.0707","0.0709","","","","","","1.141","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219574","11.9338","0.0003","11.9338","0.0003","16.0532","0.001","90","","90","","90","","2286.23","0.16","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","<i>catena</i>-Poly[[dipyridinemercury(II)]- μ-5-amino-2,4,6-triiodoisophthalato]","","- C18 H12 Hg I3 N3 O4 -","- C18 H12 Hg I3 N3 O4 -","- C72 H48 Hg4 I12 N12 O16 -","4","0.5","FJ2148","Zhang, Yu; Zhao, Jianying; Tang, Guodong; Jiang, Zhengjing","<i>catena</i>-Poly[[dipyridinemercury(II)]-μ-5-amino-2,4,6-triiodoisophthalato]","Acta Crystallographica Section E","2008","64","10","m1324","","10.1107/S1600536808030468","","","0.71073","MoKα","","0.0602","0.0349","","","0.0623","0.067","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2227990","11.824","0.003","11.824","0.003","15.841","0.009","90","","90","","90","","2214.7","1.5","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","<i>catena</i>-Poly[[dipyridinecadmium(II)]-<i>μ</i>-5-amino-2,4,6- triiodoisophthalato]","","- C18 H12 Cd I3 N3 O4 -","- C18 H12 Cd I3 N3 O4 -","- C72 H48 Cd4 I12 N12 O16 -","4","0.5","SI2296","Zou, Yang","<i>catena</i>-Poly[[dipyridinecadmium(II)]-<i>{μ</i>}-5-amino-2,4,6-triiodoisophthalato]","Acta Crystallographica Section E","2010","66","11","m1371","","10.1107/S1600536810039498","","","0.71073","MoKα","","0.0672","0.0383","","","0.0778","0.0893","","","","","","1.018","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228655","10.672","0.0014","10.672","0.0014","23.439","0.004","90","","90","","90","","2669.5","0.7","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","[μ-1,2-Bis(diphenylphosphanyl)-1,2-dimethylhydrazine-κ^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)]","","- C26 H26 Au2 Cl2 N2 P2 -","- C26 H26 Au2 Cl2 N2 P2 -","- C104 H104 Au8 Cl8 N8 P8 -","4","0.5","BR2152","Kriel, Frederik H.; Fernandes, Manuel A.; Coates, Judy","[μ-1,2-Bis(diphenylphosphanyl)-1,2-dimethylhydrazine-κ^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)]","Acta Crystallographica Section E","2011","67","1","m42","","10.1107/S1600536810050506","","","0.71073","MoKα","","0.0467","0.0296","","","0.0531","0.056","","","","","","0.976","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230120","10.515","0.0003","10.515","0.0003","19.8142","0.0008","90","","90","","90","","2190.76","0.13","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","1,3-Bis(3-phenylpropyl)-1<i>H</i>-1,3-benzimidazole-2(3<i>H</i>)-selone","","- C25 H26 N2 Se -","- C25 H26 N2 Se -","- C100 H104 N8 Se4 -","4","0.5","QM2004","Akkurt, Mehmet; Yılmaz, Ülkü; Küçükbay, Hasan; Büyükgüngör, Orhan","1,3-Bis(3-phenylpropyl)-1<i>H</i>-1,3-benzimidazole-2(3<i>H</i>)-selone","Acta Crystallographica Section E","2011","67","5","o1179","","10.1107/S1600536811013985","","","0.71073","MoKα","","0.0397","0.0317","","","0.0641","0.0664","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230774","7.793","0.005","7.793","0.005","52.59","0.05","90","","90","","90","","3194","4","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(6a<i>S</i>,11a<i>R</i>,11c<i>S</i>)-8-Sulfanylidene- 2,3,5,6,6a,7,11,11a,11b,11c-decahydro- 3a,7a-diaza-1<i>H</i>,4<i>H</i>-benzo[<i>de</i>]anthracen-3a-ium chloride hemihydrate","","- C15 H24 Cl N2 O0.5 S -","- C15 H24 Cl N2 O0.5 S -","- C120 H192 Cl8 N16 O4 S8 -","8","1","LH5190","Wang, Liang; Zhang, Chun-Mei; Guo, Jun-Xiang; Wu, Qiu-Ye; Hu, Hong-Gang","(6a<i>S</i>,11a<i>R</i>,11c<i>S</i>)-8-Sulfanylidene-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1<i>H</i>,4<i>H</i>-benzo[<i>de</i>]anthracen-3a-ium chloride hemihydrate","Acta Crystallographica Section E","2011","67","7","o1743","o1744","10.1107/S160053681100972X","","","0.71073","MoKα","","0.0801","0.071","","","0.199","0.2043","","","","","","1.225","","","","has coordinates,has Fobs","199684","2020-10-21","18:00:00",""
"2231328","9.7435","0.0014","9.7435","0.0014","25.717","0.006","90","","90","","90","","2441.5","0.8","291","2","291","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","Bis(2-hydroxybenzophenone)-2,2'-dimethylpropanediimine copper(II)","{2,2'-[(2,2-Dimethylpropane-1,3- diyldinitrilo)bis(phenylmethylidyne)]diphenolato}copper(II)","","- C31 H28 Cu N2 O2 -","- C31 H28 Cu N2 O2 -","- C124 H112 Cu4 N8 O8 -","4","0.5","TK2765","Kargar, Hadi; Kia, Reza; Moghadam, Majid; Froozandeh, Fatemeh; Tahir, Muhammad Nawaz","{2,2'-[(2,2-Dimethylpropane-1,3-diyldinitrilo)bis(phenylmethylidyne)]diphenolato}copper(II)","Acta Crystallographica Section E","2011","67","8","m1145","","10.1107/S1600536811028844","","","0.71073","MoKα","","0.1324","0.0698","","","0.0537","0.064","","","","","","0.84","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232232","7.5477","0.0003","7.5477","0.0003","53.351","0.004","90","","90","","90","","3039.3","0.3","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","[6-(Hydroxymethyl)pyridin-2-yl]methyl ferrocene-1-carboxylate","","- C18 H17 Fe N O3 -","- C18 H17 Fe N O3 -","- C144 H136 Fe8 N8 O24 -","8","1","FF2038","Auzias, Mathieu; Süss-Fink, Georg; Therrien, Bruno","[6-(Hydroxymethyl)pyridin-2-yl]methyl ferrocene-1-carboxylate","Acta Crystallographica Section E","2011","67","11","m1618","","10.1107/S1600536811043972","","","0.71073","MoKα","","0.0516","0.0378","","","0.0793","0.0826","","","","","","0.862","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232847","10.5677","0.0002","10.5677","0.0002","21.4244","0.0005","90","","90","","90","","2392.6","0.08","298","2","298","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","1-(5,7-Dihydroxy-2,2-dimethylchroman-6-yl)ethanone","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","LH5372","Akerman, Matthew P.; Mkhize, Zimbili; van Heerden, Fanie R.","1-(5,7-Dihydroxy-2,2-dimethylchroman-6-yl)ethanone","Acta Crystallographica Section E","2011","67","12","o3412","","10.1107/S1600536811047982","","","0.71073","MoKα","","0.0379","0.0322","","","0.0889","0.0913","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233023","8.1423","0.0003","8.1423","0.0003","27.6814","0.0018","90","","90","","90","","1835.2","0.15","298","2","298","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","2,6-dimethoxybenzoic acid","","- C9 H10 O4 -","- C9 H10 O4 -","- C72 H80 O32 -","8","1","XU5390","Portalone, Gustavo","A new polymorph of 2,6-dimethoxybenzoic acid","Acta Crystallographica Section E","2011","67","12","o3394","o3395","10.1107/S1600536811049075","","","0.71069","MoKα","","0.0844","0.062","","","0.1364","0.1466","","","","","","1.19","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233432","12.1252","0.0007","12.1252","0.0007","14.6108","0.0017","90","","90","","90","","2148.1","0.3","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Bis[(1<i>S</i>,1'<i>S</i>)-1,1'-(4-amino-4<i>H</i>-1,2,4-triazole-3,5- diyl)diethanol-κ<i>N</i>^1^]bis(nitrato-κ<i>O</i>)zinc","","- C12 H24 N10 O10 Zn -","- C12 H24 N10 O10 Zn -","- C48 H96 N40 O40 Zn4 -","4","0.5","FF2051","Liu, Xun-Gao; Shen, Liang; Cai, Qi-Suo; Luo, Ma","Bis[(1<i>S</i>,1'<i>S</i>)-1,1'-(4-amino-4<i>H</i>-1,2,4-triazole-3,5-diyl)diethanol-κ<i>N</i>^1^]bis(nitrato-κ<i>O</i>)zinc","Acta Crystallographica Section E","2012","68","2","m191","m192","10.1107/S1600536812001754","","","0.71073","MoKα","","0.0419","0.0325","","","0.0834","0.0884","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233854","6.1008","0.0003","6.1008","0.0003","53.79","0.002","90","","90","","90","","2002.05","0.16","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","1,3-Bis(1-cyclohexylethyl)imidazolidine-2-thione","","- C19 H34 N2 S -","- C19 H34 N2 S -","- C76 H136 N8 S4 -","4","0.5","HB6637","Umar, M. Naveed; Tahir, M. Nawaz; Shoaib, Mohammad; Ali, Akbar; Ziauddin","1,3-Bis(1-cyclohexylethyl)imidazolidine-2-thione","Acta Crystallographica Section E","2012","68","3","o743","","10.1107/S1600536812006150","","","0.71073","MoKα","","0.1198","0.0595","","","0.1494","0.1758","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235612","9.6818","0.0005","9.6818","0.0005","44.017","0.003","90","","90","","90","","4126","0.4","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","3-(1<i>H</i>-Indol-3-yl)-2-(2-nitrobenzenesulfonamido)propanoic acid","","- C17 H15 N3 O6 S -","- C17 H15 N3 O6 S -","- C136 H120 N24 O48 S8 -","8","1","SJ5218","Khan, Islam Ullah; Mubashar-ur-Rehman, Hafiz; Aziz, Salman; Harrison, William T. A.","3-(1<i>H</i>-Indol-3-yl)-2-(2-nitrobenzenesulfonamido)propanoic acid including an unknown solvate","Acta Crystallographica Section E","2012","68","7","o2019","","10.1107/S1600536812023446","","","0.71073","MoKα","","0.0773","0.0666","","","0.162","0.1677","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235792","7.3359","0.0001","7.3359","0.0001","54.7419","0.0013","90","","90","","90","","2945.96","0.09","180","2","180","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Methyl 2-(4a,8-Dimethyl-7-oxodecahydronaphthalen-2-yl)acrylate","","- C16 H24 O3 -","- C16 H24 O3 -","- C128 H192 O24 -","8","1","FJ2573","Tebbaa, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Barkaoui, Latifa; Berraho, Moha","Methyl 2-(4a,8-Dimethyl-7-oxodecahydronaphthalen-2-yl)acrylate","Acta Crystallographica Section E","2012","68","8","o2391","","10.1107/S1600536812029303","","","1.54184","CuKα","","0.0433","0.0424","","","0.1068","0.1072","","","","","","1.222","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236581","6.4737","0.0004","6.4737","0.0004","62.438","0.008","90","","90","","90","","2616.7","0.4","133","2","133","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","6,8-Dihydroxy-8a-methyl-3,5- dimethylidenedecahydronaphtho[2,3-<i>b</i>]furan-2(3<i>H</i>)-one","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","RK2376","Liu, Ting-ting; Wu, Hai-Bo; Wang, Wen-Shu","6,8-Dihydroxy-8a-methyl-3,5-dimethylidenedecahydronaphtho[2,3-<i>b</i>]furan-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3251","","10.1107/S160053681204425X","","","0.71073","MoKα","","0.0537","0.047","","","0.1197","0.1242","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237105","12.1339","0.001","12.1339","0.001","30.057","0.002","90","","90","","90","","4425.3","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(Biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium trifluoromethanesulfonate","","- C21 H26 F3 O3 P S -","- C21 H26 F3 O3 P S -","- C168 H208 F24 O24 P8 S8 -","8","1","AA2079","Muller, Alfred; Holzapfel, Cedric W.","(Biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium trifluoromethanesulfonate","Acta Crystallographica Section E","2013","69","1","o20","","10.1107/S1600536812049045","","","0.71073","MoKα","","0.1183","0.0538","","","","0.1174","","","","","","0.986","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237237","5.0314","0.0001","5.0314","0.0001","58.701","0.003","90","","90","","90","","1486.01","0.09","100","0.1","100","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","<i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)dibenzamide","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","0.5","TK5180","Mahboubi Anarjan, Parisa; Noshiranzadeh, Nader; Bikas, Rahman; Woińska, Magdalena; Wozniak, Krzysztof","<i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)dibenzamide","Acta Crystallographica Section E","2013","69","1","o102","","10.1107/S1600536812050167","","","0.71073","MoKα","","0.0516","0.0441","","","0.0866","0.0895","","","","","","1.226","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237314","9.548","0.0005","9.548","0.0005","21.957","0.0009","90","","90","","90","","2001.69","0.17","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","5-amino-3-picolinamido-1H-1,2,4-triazole","<i>N</i>-(5-Amino-1<i>H</i>-1,2,4-triazol-3-yl)pyridine-2-carboxamide","","- C8 H8 N6 O -","- C8 H8 N6 O -","- C64 H64 N48 O8 -","8","1","GK2547","Hernández-Gil, Javier; Ferrer, Sacramento; Ballesteros, Rafael; Castiñeiras, Alfonso","<i>N</i>-(5-Amino-1<i>H</i>-1,2,4-triazol-3-yl)pyridine-2-carboxamide","Acta Crystallographica Section E","2013","69","2","o227","o228","10.1107/S1600536813000123","","","0.71073","MoKα","","0.0715","0.0384","","","0.0896","0.1068","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237446","10.6848","0.0003","10.6848","0.0003","47.9935","0.0017","90","","90","","90","","5479.2","0.3","147","2","147","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","2,2'-[(1<i>S</i>,2<i>S</i>)-1,2-Bis(2-hydroxyphenyl)ethane-1,2-diyl]bis(isoindoline-1,3-dione) ethanol monosolvate hemihydrate","","- C32 H27 N2 O7.5 -","- C32 H27 N2 O7.5 -","- C256 H216 N16 O60 -","8","1","AA2082","Chin, Jik; Koh, Dongsoo; Lough, Alan J.","2,2'-[(1<i>S</i>,2<i>S</i>)-1,2-Bis(2-hydroxyphenyl)ethane-1,2-diyl]bis(isoindoline-1,3-dione) ethanol monosolvate hemihydrate","Acta Crystallographica Section E","2013","69","3","o406","o407","10.1107/S1600536813003978","","","1.54178","CuKα","","0.0289","0.0287","","","0.0751","0.0754","","","","","","1.12","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2238246","8.774","0.0002","8.774","0.0002","10.0282","0.0003","90","","90","","90","","772","0.03","140","2","140","1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(4<i>S</i>,5<i>S</i>)-2,2-Dimethyl-1,3-dioxolane-4,5-dicarbonitrile","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","0.5","SJ5320","Haines, Alan H.; Hughes, David L.","(4<i>S</i>,5<i>S</i>)-2,2-Dimethyl-1,3-dioxolane-4,5-dicarbonitrile","Acta Crystallographica Section E","2013","69","7","o1104","","10.1107/S1600536813015973","","","0.71073","Mo-Kα","","0.0325","0.0303","","","0.0752","0.0763","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238354","13.8159","0.0003","13.8159","0.0003","13.5221","0.0006","90","","90","","90","","2581.09","0.14","123","2","123","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","2-(10',10'-Dimethyl-3'-sulfanylidene-4'-azatricyclo[5.2.1.0^1,5^]decan-2'-yl)-10,10-dimethyl-4-azatricyclo[5.2.1.0^1,5^]decane-3-thione","","- C28 H40 N2 O2 S2 -","- C28 H40 N2 O2 S2 -","- C112 H160 N8 O8 S8 -","4","0.5","GW2136","Walker, Ashley; Forsyth, Craig M.; Perlmutter, Patrick","2-(10',10'-Dimethyl-3'-sulfanylidene-4'-azatricyclo[5.2.1.0^1,5^]decan-2'-yl)-10,10-dimethyl-4-azatricyclo[5.2.1.0^1,5^]decane-3-thione","Acta Crystallographica Section E","2013","69","8","o1282","","10.1107/S1600536813019211","","","0.71073","MoKα","","0.0528","0.0492","","","0.0981","0.0996","","","","","","1.193","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239469","9.367","0.004","9.367","0.004","49.137","0.014","90","","90","","90","","4311","3","293","2","293","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-2-[(<i>R</i>)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium tetrafluoridoborate","","- C24 H24 B F4 N -","- C24 H24 B F4 N -","- C192 H192 B8 F32 N8 -","8","1","LD2119","Ben Ali, Karim; Retailleau, Pascal","(3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-2-[(<i>R</i>)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium tetrafluoridoborate","Acta Crystallographica Section E","2014","70","3","o255","","10.1107/S160053681400230X","","","1.5418","CuKα","","0.1415","0.0647","","","0.169","0.2149","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239510","13.9016","0.0002","13.9016","0.0002","38.834","0.0009","90","","90","","90","","7504.8","0.2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Tetrakis[μ~3~-2-(piperidin-1-yl)ethanolato]tetrakis[chloridocopper(II)]","","- C28 H56 Cl4 Cu4 N4 O4 -","- C28 H56 Cl4 Cu4 N4 O4 -","- C224 H448 Cl32 Cu32 N32 O32 -","8","1","XU5784","Luo, Mei; Huang, Yong-Hua; Zhang, Jing-Cheng","Tetrakis[μ~3~-2-(piperidin-1-yl)ethanolato]tetrakis[chloridocopper(II)]","Acta Crystallographica Section E","2014","70","5","m194","","10.1107/S1600536814009052","","","1.54178","CuKα","","0.0728","0.0683","","","0.1786","0.1819","","","","","","1.165","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239780","9.6858","0.0004","9.6858","0.0004","26.5116","0.0017","90","","90","","90","","2487.2","0.2","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","2,3,5,6-Tetrakis(bromomethyl)pyrazine","","- C8 H8 Br4 N2 -","- C8 H8 Br4 N2 -","- C64 H64 Br32 N16 -","8","1","HB0005","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Crystal structure of a tetrakis-substituted pyrazine compound: 2,3,5,6-tetrakis(bromomethyl)pyrazine","Acta Crystallographica Section E","2014","70","8","51","53","10.1107/S1600536814011337","","","0.71073","MoKα","","0.0951","0.0433","","","0.0836","0.0955","","","","","","0.843","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240112","18.5564","0.0006","18.5564","0.0006","10.1139","0.0004","90","","90","","90","","3482.6","0.2","100","","100","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Ammonium 3'-azido-3'-deoxythymidine-5'-aminocarbonylphosphonate hemihydrate","","- C11 H19 N7 O7.5 P -","- C11 H19 N7 O7.5 P -","- C88 H152 N56 O60 P8 -","8","1","SU2792","Jasko, Maxim V.; Gurskaya, Galina V.; Kukhanova, Marina K.; Bushmarinov, Ivan S.","Crystal structure of ammonium 3'-azido-3'-deoxythymidine-5'-aminocarbonylphosphonate hemihydrate: an anti-HIV agent","Acta Crystallographica Section E","2014","70","11","396","399","10.1107/S1600536814022405","","","0.71073","MoKα","","0.0395","0.0324","","","0.0756","0.0793","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2240301","13.3438","0.0012","13.3438","0.0012","40.237","0.007","90","","90","","90","","7164.5","1.5","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","<i>N</i>-[(2<i>S</i>,5<i>R</i>)-4-Oxo-2,3-diphenyl-1,3-thiazinan-5-yl]acetamide 0.375-hydrate","","- C36 H36 N4 O4.75 S2 -","- C36 H36 N4 O4.75 S2 -","- C288 H288 N32 O38 S16 -","8","1","HB7315","Yennawar, Hemant P.; Singh, Harnoor; Silverberg, Lee J.","Crystal structure of <i>N</i>-[(2<i>S</i>,5<i>R</i>)-4-oxo-2,3-diphenyl-1,3-thiazinan-5-yl]acetamide 0.375-hydrate","Acta Crystallographica Section E","2015","71","1","62","64","10.1107/S2056989014026425","","","0.71073","MoKα","","0.0903","0.0662","","","0.198","0.216","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2241195","8.0953","0.0002","8.0953","0.0002","37.568","0.002","90","","90","","90","","2461.98","0.16","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Bis(2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-methoxyphenolato)manganese(IV) 0.39 hydrate","","- C24 H30.78 Mn N2 O10.39 -","- C24 H30 Mn N2 O10.39 -","- C96 H120 Mn4 N8 O41.56 -","4","0.5","SJ5481","Buvaylo, Elena A.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Crystal structure of bis(2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-methoxyphenolato)manganese(IV) 0.39-hydrate","Acta Crystallographica Section E","2015","71","11","1307","1310","10.1107/S2056989015018551","","","1.54178","CuKα","","0.0636","0.0515","","","0.1271","0.1358","","","","","","1.052","","","","has coordinates,has Fobs","164410","2020-10-21","18:00:00",""
"2242158","12.9905","0.0018","12.9905","0.0018","29.942","0.006","90","","90","","90","","5052.8","1.4","298","","298","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-4-Acetamido-2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]isoindoline-1,3-dione ethanol hemisolvate hemihydrate","","- C23 H28 N2 O8 S -","- C23 H28 N2 O8 S -","- C184 H224 N16 O64 S8 -","8","1","WM5386","Wu, Yun-Deng; Liu, Xiao-Hong; Xu, Jian; Zhang, Si-Han; Shen, Kun; Sun, Ling; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","Crystal structure of an apremilast ethanol hemisolvate hemihydrate solvatomorph","Acta Crystallographica Section E","2017","73","6","821","824","10.1107/S2056989017006661","","","0.71073","MoKα","","0.1141","0.0661","","","0.1545","0.1831","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","199131","2020-10-21","18:00:00",""
"2244097","9.9254","0.0002","9.9254","0.0002","47.1267","0.0014","90","","90","","90","","4642.62","0.19","173","","173","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","<i>N</i>-Benzylcinchonidinium bromide sesquihydrate","(<i>R</i>)-[(2<i>S</i>,4<i>S</i>,5<i>R</i>)-1-Benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methanol bromide sesquihydrate","","- C26 H32 Br N2 O2.5 -","- C26 H32 Br N2 O2.5 -","- C208 H256 Br8 N16 O20 -","8","1","PK2664","Janzen, Daron E.; Butler, Maya S.; Reinheimer, Eric W.","Crystal structures of anhydrous and hydrated <i>N</i>-benzylcinchonidinium bromide","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022005096","","","0.71073","MoKα","","0.0546","0.0509","","","0.1091","0.1105","","","","","","1.054","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2300132","6.8558","0.0001","6.8558","0.0001","16.9375","0.0001","90","","90","","90","","796.096","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C40 H48 O8 -","- C10 H12 O2 -","- C40 H48 O8 -","4","0.5","HE5379","Brunelli, Michela; Neumann, Marcus A.; Fitch, Andrew N.; Mora, Asiloé J.","Temperature phase changes in solid bicyclo[3.3.1]nonane-2,6-dione and bicyclo[3.3.1]nonane-3,7-dione from powder X-ray diffraction data","Journal of Applied Crystallography","2007","40","4","702","709","10.1107/S0021889807028087","","","","","","","","","","","","","","","","","","","","","has coordinates","208198","2020-10-21","18:00:00",""
"2300251","6.6748","0.0003","6.67484","","6.6838","0.0006","90","","90","","90","","297.78","0.03","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- D2 O -","- D2 O -","- D24 O12 -","12","1.5","","Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.","Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa","Journal of Applied Crystallography","2009","42","5","846","866","10.1107/S0021889809027897","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2310644","13.41","","13.41","","13.79","","90","","90","","90","","2479.83","","","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Cu ((N H2)2 C S)3 Cl","","- C3 H12 Cl Cu N6 S3 -","- C3 H12 Cl Cu N6 S3 -","- C24 H96 Cl8 Cu8 N48 S24 -","8","1","","Okaya, Y.; Knobler, C.B.","Refinement of the crystal structure of tris(thiourea) copper(I) chloride","Acta Crystallographica (1,1948-23,1967)","1964","17","","928","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2310696","5.08","","5.08","","18.59","","90","","90","","90","","479.741","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Zn P2","","- P2 Zn -","- P2 Zn -","- P16 Zn8 -","8","1","","White, J.G.","The crystal structure of the tetragonal modification of Zn P2","Acta Crystallographica (1,1948-23,1967)","1965","18","","217","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2312063","11.7187","0.0004","11.7187","0.0004","65.014","0.004","90","","90","","90","","8928.2","0.7","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Bis[1,2-bis(4-<i>tert</i>-butylphenyl)ethylene-1,2-dithiolato(1-)]nickel(II) pentane 0.25-solvate","","- C45.25 H55 Ni S4 -","- C45.25 H55 Ni S4 -","- C362 H440 Ni8 S32 -","8","1","JY2027","Das Gupta, Titir; Applebaum, Jack; Broussard, William; Mack, Carson; Wu, Che; Mague, Joel T.; Donahue, James P.","Bis[1,2-bis-(4-<i>tert</i>-butyl-phen-yl)ethyl-ene-1,2-di-thiol-ato(1-)]nickel(II) pentane 0.25-solvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","182","186","10.1107/S205698902300097X","","","1.54178","CuKα","","0.0463","0.0449","","","0.1359","0.1379","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","282422","2023-04-05","16:04:04",""
"2312483","11.1312","0.0013","11.1312","0.0013","10.894","0.003","90","","90","","90","","1349.8","0.4","298","2","298","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Diethyl <i>N</i>,<i>N</i>'-(1,3-phenylene)dicarbamate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C48 H64 N8 O16 -","4","0.5","ZO3045","González-González, Juan Saulo; Martínez-Santos, Alfonso; Emparán-Legaspi, María José; Pineda-Contreras, Armando; Martínez-Martínez, Francisco Javier; Flores-Alamo, Marcos; García-Ortega, Hector","Molecular structure and selective theophylline complexation by conformational change of diethyl N,N'-(1,3-phenylene)dicarbamate.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003358","","","0.71073","MoKα","","0.0747","0.0474","","","0.1103","0.1276","","","","","","1.048","","","","has coordinates","291770","2024-05-08","01:54:26",""
"3000144","7.0872","0.0003","7.0872","0.0003","27.477","0.003","90","","90","","90","","1380.13","0.17","100","2","100","2","","","","","","","","2","P 41 21 2","P 4abw 2nw","","1,1'-binaphthyl","1,1'-binaphthyl","","- C20 H14 -","","","","","","Roszak Kinga; Katrusiak, Andrzej","?","To be published in PCCP","","","","","","","","","0.71073","MoKα","","0.0781","0.0696","","","0.0925","0.1121","","","","","","1.005","","","","","202410","2020-10-21","18:00:00","2018-03-30"
"3000145","7.1071","0.0002","7.1071","0.0002","27.466","0.002","90","","90","","90","","1387.33","0.12","150","2","150","2","","","","","","","","2","P 41 21 2","P 4abw 2nw","","1,1'-binaphthyl","1,1'-binaphthyl","","- C20 H14 -","","","","","","Roszak Kinga; Katrusiak, Andrzej","?","To be published in PCCP","","","","","","","","","0.71073","MoKα","","0.0951","0.0724","","","0.0958","0.1191","","","","","","1.025","","","","","202410","2020-10-21","18:00:00","2018-03-30"
"3000146","7.1316","0.0002","7.1316","0.0002","27.467","0.002","90","","90","","90","","1396.96","0.12","200","2","200","2","","","","","","","","2","P 41 21 2","P 4abw 2nw","","1,1'-binaphthyl","1,1'-binaphthyl","","- C20 H14 -","","","","","","Roszak Kinga; Katrusiak, Andrzej","?","To be published in PCCP","","","","","","","","","0.71073","MoKα","","0.1192","0.0765","","","0.1027","0.1301","","","","","","1.02","","","","","202410","2020-10-21","18:00:00","2018-03-30"
"3000147","7.1562","0.0004","7.1562","0.0004","27.473","0.002","90","","90","","90","","1406.93","0.15","250","2","250","2","","","","","","","","2","P 41 21 2","P 4abw 2nw","","1,1'-binaphthyl","1,1'-binaphthyl","","- C20 H14 -","","","","","","Roszak Kinga; Katrusiak, Andrzej","?","To be published in PCCP","","","","","","","","","0.71073","MoKα","","0.0976","0.0761","","","0.1365","0.1749","","","","","","1.001","","","","","202410","2020-10-21","18:00:00","2018-03-30"
"3000148","7.2063","0.0002","7.2063","0.0002","27.5057","0.0014","90","","90","","90","","1428.39","0.09","296","2","296","2","","","","","","","","2","P 41 21 2","P 4abw 2nw","","1,1'-binaphthyl","1,1'-binaphthyl","","- C20 H14 -","","","","","","Roszak Kinga; Katrusiak, Andrzej","?","To be published in PCCP","","","","","","","","","0.71073","MoKα","","0.0969","0.0513","","","0.085","0.096","","","","","","1.045","","","","","202410","2020-10-21","18:00:00","2018-03-30"
"3000149","6.8496","0.0004","6.8496","0.0004","26.691","0.003","90","","90","","90","","1252.26","0.17","296","2","296","2","1530000","","","","","","","2","P 41 21 2","P 4abw 2nw","","1,1'-binaphthyl","1,1'-binaphthyl","","- C20 H14 -","","","","","","Roszak Kinga; Katrusiak, Andrzej","?","To be published in PCCP","","","","","","","","","0.71073","MoKα","","0.12","0.1095","","","0.1673","0.1692","","","","","","1.053","","","","","202410","2020-10-21","18:00:00","2018-03-30"
"3000150","6.7514","0.0015","6.7514","0.0015","26.507","0.01","90","","90","","90","","1208.2","0.6","296","2","296","2","2730000","","","","","","","2","P 41 21 2","P 4abw 2nw","","1,1'-binaphthyl","1,1'-binaphthyl","","- C20 H14 -","","","","","","Roszak Kinga; Katrusiak, Andrzej","?","To be published in PCCP","","","","","","","","","0.71073","MoKα","","0.107","0.0995","","","0.1387","0.1477","","","","","","1.146","","","","","202410","2020-10-21","18:00:00","2018-03-30"
"3000151","6.6809","0.0005","6.6809","0.0005","26.433","0.003","90","","90","","90","","1179.82","0.18","296","2","296","2","2730000","","","","","","","2","P 41 21 2","P 4abw 2nw","","1,1'-binaphthyl","1,1'-binaphthyl","","- C20 H14 -","","","","","","Roszak Kinga; Katrusiak, Andrzej","?","To be published in PCCP","","","","","","","","","0.71073","MoKα","","0.1161","0.1017","","","0.1461","0.1471","","","","","","1.123","","","","","202410","2020-10-21","18:00:00","2018-03-30"
"3500095","9.1629","0.0002","9.1629","0.0002","50.2545","0.0012","90","","90","","90","","4219.3","0.16","150","","150.15","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","desonide","Dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione","","- C24 H32 O6 -","- C24 H32 O6 -","- C192 H256 O48 -","8","1","","Thierry Maris","Desonide","Personal communication to COD","2020","","","","","","","","1.34139","GaKα","","0.0462","0.038","","","0.0717","0.0754","","","","","","1.125","","","","has coordinates,has Fobs","247091","2020-10-21","18:00:00",""
"4000050","12.5566","0.0006","12.5566","0.0006","32.0324","0.0017","90","","90","","90","","5050.5","0.4","223","2","223","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C36 H84 Ga4 O12 -","- C36 H84 Ga4 O12 -","- C144 H336 Ga16 O48 -","4","0.5","","Valet, Murielle; Hoffman, David M.","Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films","Chemistry of Materials","2001","13","6","2135","2143","10.1021/cm0014177","","","0.71073","MoKα","","0.0353","0.028","","","0.0704","0.0759","","","","","","1.06","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000912","15.436","0.001","15.436","0.001","28.831","0.002","90","","90","","90","","6869.6","0.8","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C80 H88 Li N8 O8 -","- C80 H88 Li N8 O8 -","- C320 H352 Li4 N32 O32 -","4","0.5","","Pandian, Ramasamy P.; Raju, Nandyala P.; Gallucci, Judith C.; Woodward, Patrick M.; Epstein, Arthur J.; Kuppusamy, Periannan","A New Tetragonal Crystalline Polymorph of Lithium Octa-n-Butoxy-Naphthalocyanine (LiNc-BuO) Radical: Structural, Magnetic and Oxygen-Sensing Properties","Chemistry of Materials","2010","22","23","6254","","10.1021/cm101733h","","","0.7749","synchrotron","","0.1586","0.072","","","0.1896","0.2496","","","","","","0.996","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001225","9.3965","0.0015","9.3965","0.0015","14.412","0.002","90","","90","","90","","1272.5","0.3","120","2","120","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Bis(eta5-cyclopentadienyl)bis(methylselenolato)titanium(IV)","","- C12 H16 Se2 Ti -","- C12 H16 Se2 Ti -","- C48 H64 Se8 Ti4 -","4","0.5","","Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael","Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te)","Chemistry of Materials","2008","20","15","5100","","10.1021/cm800802g","","","0.71073","MoKα","","0.0533","0.0423","","","0.0747","0.079","","","","","","1.144","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001226","9.5191","0.001","9.5191","0.001","14.604","0.002","90","","90","","90","","1323.3","0.3","120","2","120","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Bis(eta5-cyclopentadienyl)bis(methylselenolato)hafnium(IV)","","- C12 H16 Hf Se2 -","- C12 H16 Hf Se2 -","- C48 H64 Hf4 Se8 -","4","0.5","","Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael","Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te)","Chemistry of Materials","2008","20","15","5100","","10.1021/cm800802g","","","0.71073","MoKα","","0.0212","0.0204","","","0.0443","0.045","","","","","","1.115","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001229","10.026","0.002","10.026","0.002","19.288","0.003","90","","90","","90","","1938.8","0.6","120","2","120","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","bis(eta5-cyclopentadienyl)bis(t-butylselenolato)zirconium(IV)","","- C18 H28 Se2 Zr -","- C18 H28 Se2 Zr -","- C72 H112 Se8 Zr4 -","4","0.5","","Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael","Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te)","Chemistry of Materials","2008","20","15","5100","","10.1021/cm800802g","","","0.71073","MoKα","","0.0979","0.0806","","","0.1755","0.1859","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002034","8.56294","0.00008","8.56294","0.00008","22.7703","0.0003","90","","90","","90","","1669.61","0.03","99.99","0.1","99.97","0.11","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- H22 N4 O3 S6 Sn2 -","- H22 N4 O3 S6 Sn2 -","- H88 N16 O12 S24 Sn8 -","4","0.5","","Nørby, Peter; Overgaard, Jacob; Christensen, Per S.; Richter, Bo; Song, Xin; Dong, Mingdong; Han, Anpan; Skibsted, Jørgen; Iversen, Bo B.; Johnsen, Simon","(NH4)4Sn2S6·3H2O: Crystal Structure, Thermal Decomposition, and Precursor for Textured Thin Film","Chemistry of Materials","2014","26","15","4494","","10.1021/cm501681r","","","0.71073","MoKα","","0.0185","0.0162","","","0.0313","0.0322","","","","","","1.077","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002658","5.1965","0.0002","5.1965","0.0002","6.3464","0.0003","90","","90","","90","","171.376","0.012","1023","","1023","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","γ-lithium aluminate","γ-lithium aluminium dioxide","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin","Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers","Chemistry of Materials","2016","28","3","915","","10.1021/acs.chemmater.5b04608","powder diffraction","neutron","1.7982","neutron","","0.0199","0.0136","","0.0191","0.0132","","","0.0196","1.15","","","","","","","has coordinates","177394","2020-10-21","18:00:00",""
"4002659","5.15885","0.00017","5.15885","0.00017","6.27","0.0003","90","","90","","90","","166.868","0.011","345","","345","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","γ-lithium aluminate","γ-lithium aluminium dioxide","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin","Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers","Chemistry of Materials","2016","28","3","915","","10.1021/acs.chemmater.5b04608","powder diffraction","neutron","1.7982","neutron","","0.021","0.0177","","0.0196","0.0193","","","0.028","1.39","","","","","","","has coordinates","177394","2020-10-21","18:00:00",""
"4002660","5.2252","0.0002","5.2252","0.0002","6.4038","0.0003","90","","90","","90","","174.841","0.013","1475","","1475","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","γ-lithium aluminate","γ-lithium aluminium dioxide","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin","Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers","Chemistry of Materials","2016","28","3","915","","10.1021/acs.chemmater.5b04608","powder diffraction","neutron","1.7982","neutron","","0.0167","0.0115","","0.0132","0.012","","","0.016","1.2","","","","","","","has coordinates","177394","2020-10-21","18:00:00",""
"4003642","7.9115","0.001","7.9115","0.001","23.385","0.003","90","","90","","90","","1463.7","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C H6 Au Br3 N -","- C H6 Au Br3 N -","- C8 H48 Au8 Br24 N8 -","8","1","","Ghosh, Biplab; Febriansyah, Benny; Harikesh, Padinhare Cholakkal; Koh, Teck Ming; Hadke, Shreyash; Wong, Lydia H.; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Direct Band Gap Mixed-Valence Organic‒inorganic Gold Perovskite as Visible Light Absorbers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00345","","","0.71073","MoKα","","0.0526","0.0292","","","0.0509","0.0574","","","","","","1.028","","","","has coordinates","254654","2020-10-21","18:00:00",""
"4020037","12.5501","0.0004","12.5501","0.0004","29.4265","0.0014","90","","90","","90","","4634.8","0.3","158","","158","","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C40 H56 Fe2 I2 N2 O2 Pd2 Si2 -","- C40 H56 Fe2 I2 N2 O2 Pd2 Si2 -","- C160 H224 Fe8 I8 N8 O8 Pd8 Si8 -","4","0.5","","Carolyn E. Anderson; Yariv Donde; Christopher J. Douglas; Larry E. Overman","","Journal of Organic Chemistry","2005","70","","648","657","10.1021/jo048490r","","","0.71073","MoKα","","0.0211","0.0195","","0.0403","0.0399","","","","1.159","1.167","1.167","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4021205","6.5986","0.0007","6.5986","0.0007","53.743","0.008","90","","90","","90","","2340","0.5","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","2-(3-pyridinyl) 2-adamantanol","","","- C15 H19 N O -","- C15 H19 N O -","- C120 H152 N8 O8 -","8","1","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti; Romina Rompietti","Conformational Studies by Dynamic NMR. 100. Enantiomerization Process of Stereolabile Atropisomers in Pyridine-Substituted Adamantane Derivatives","Journal of Organic Chemistry","2004","69","","5746","5748","10.1021/jo0493471","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021283","10.495","0.002","10.495","0.002","42.528","0.012","90","","90","","90","","4684.1","1.9","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C47 H55 Cl2 N2 O5 P2 Rh -","- C47 H52 Cl2 N2 O5 P2 Rh -","- C188 H208 Cl8 N8 O20 P8 Rh4 -","4","0.5","","Yu Fu; Xun-Xiang Guo; Shou-Fei Zhu; Ai-Guo Hu; Jian-Hua Xie; Qi-Lin Zhou","Rhodium-Catalyzed Asymmetric Hydrogenation of Functionalized Olefins Using Monodentate Spiro Phosphoramidite Ligands","Journal of Organic Chemistry","2004","69","","4648","4655","10.1021/jo049655z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021396","13.787","0.0004","13.787","0.0004","41.256","0.0012","90","","90","","90","","7842","0.4","296.1","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","(R)-1-phenylethylammonium_(Sp)-O-ethyl phenylphosphonothioate_water","","","- C16 H24 N O3 P S -","- C16 H22 N O3 P S -","- C256 H352 N16 O48 P16 S16 -","16","2","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.049","","","","0.06","","","","","","0.827","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4022020","8.6562","0.0015","8.6562","0.0015","22.961","0.006","90","","90","","90","","1720.5","0.6","294","2","294","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","0.5","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.0726","0.0452","","","0.1058","0.1191","","","","","","1.156","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022092","6.9396","0.0004","6.9396","0.0004","50.665","0.005","90","","90","","90","","2439.9","0.3","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H30 Br2 N2 O3 -","- C26 H30 Br2 N2 O3 -","- C104 H120 Br8 N8 O12 -","4","0.5","","Sivaraman Dandapani; Ping Lan; Aaron B. Beeler; Scott Beischel; Athier Abbas; Bryan L. Roth; John A. Porco, Jr.; James S. Panek","Convergent Synthesis of Complex Diketopiperazines Derived from Pipecolic Acid Scaffolds and Parallel Screening against GPCR Targets","Journal of Organic Chemistry","2006","71","","8934","8945","10.1021/jo061758p","","","0.71073","MoKα","","0.0736","0.0674","","","0.1577","0.1607","","","","","","1.176","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022166","12.0512","0.0005","12.0512","0.0005","27.0746","0.0011","90","","90","","90","","3932.1","0.3","200","2","200","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H18 Br2 N4 O5 -","- C16 H18 Br2 N4 O5 -","- C128 H144 Br16 N32 O40 -","8","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0589","0.0399","","","0.0724","0.0793","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022491","22.074","0.015","22.074","0.015","28.61","0.04","90","","90","","90","","13938","23","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C48 H80 N0 O37 Se -","- C48 H74 O37 Se -","- C384 H592 O296 Se8 -","8","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.2826","0.1257","","","0.2722","0.3424","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022901","12.8346","0.0005","12.8346","0.0005","40.285","0.002","90","","90","","90","","6636","0.5","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C34 H38 F2 N2 O3 S2 -","- C34 H38 F2 N2 O3 S2 -","- C272 H304 F16 N16 O24 S16 -","8","1","","Jun Liu; Ya Li; Jinbo Hu","Stereoselective Synthesis of Di- and Monofluoromethylated Vicinal Ethylenediamines with Di- and Monofluoromethyl Sulfones","Journal of Organic Chemistry","2007","72","","3119","3121","10.1021/jo070094w","","","0.71073","MoKα","","0.0849","0.0466","","","0.0852","0.0957","","","","","","0.882","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023485","13.1526","0.0009","13.1526","0.0009","18.2549","0.0012","90","","90","","90","","3157.9","0.4","98.1","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C35 H38 Au Cl N2 -","- C35 H38 Au Cl N2 -","- C140 H152 Au4 Cl4 N8 -","4","0.5","","Yasumasa Matsumoto; Ken-ichi Yamada; Kiyoshi Tomioka","C~2~ Symmetric Chiral NHC Ligand for Asymmetric Quaternary Carbon Constructing Copper-Catalyzed Conjugate Addition of Grignard Reagents to 3-Substituted Cyclohexenones","Journal of Organic Chemistry","2008","73","","4578","4581","10.1021/jo800613h","","x-ray","0.71075","MoKα","","","0.0188","","","","0.0421","","","","","","1.105","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4024869","9.1983","0.0001","9.1983","0.0001","51.2454","0.0011","90","","90","","90","","4335.81","0.11","150","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C22.5 H23.5 Cl1.5 F3 O3 -","- C22.5 H23.5 Cl1.5 F3 O3 -","- C180 H188 Cl12 F24 O24 -","8","1","","Changho Han; Francis J. Barrios; Mark V. Riofski; David A. Colby","Semisynthetic Derivatives of Sesquiterpene Lactones by Palladium-Catalyzed Arylation of the α-Methylene-γ-lactone Substructure","Journal of Organic Chemistry","2009","74","","7176","7179","10.1021/jo901533e","","","1.54184","CU-Kα","","0.046","0.046","","","0.118","0.118","","","","","","1.033","","","","has coordinates","288189","2023-12-08","15:49:02",""
"4025540","9.2","0.0019","9.2","0.003","64.15","0.02","90","0.03","90","0.03","90","0.02","5430","3","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C22 H40 N4 O7 -","- C22 H40 N4 O7 -","- C176 H320 N32 O56 -","8","1","","Dan Yang; Xiao-Wei Chang; Dan-Wei Zhang; Ze-Feng Jiang; Ke-Sheng Song; Yu-Hui Zhang; Nian-Yong Zhu; Lin-Hong Weng; Min-Qin Chen","Chiral α-Aminoxy Acid/Achiral Cyclopropane α-Aminoxy Acid Unit as a Building Block for Constructing the α N-O Helix","Journal of Organic Chemistry","2010","75","","4796","4805","10.1021/jo100810m","","","0.71073","MoKα","","0.4539","0.0856","","","0.2856","0.4376","","","","","","0.96","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4026272","8.0786","0.0002","8.0786","0.0002","48.3211","0.0009","90","","90","","90","","3153.62","0.13","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","[2R,(S)S]-2-Methyl-3-oxo-2-[2-(p-tolylsulfinyl)phenyl]butanenitrile","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C144 H136 N8 O16 S8 -","8","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Asymmetric Synthesis of Benzylic Quaternary Difunctionalized Carbons Mediated by a Remote Sulfinyl Group","Journal of Organic Chemistry","2011","76","","3597","3603","10.1021/jo2004204","","","1.54178","CuKα","","0.0365","0.0326","","","0.0804","0.0823","","","","","","1.054","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4027277","8.06","0.004","8.06","0.004","45.41","0.03","90","","90","","90","","2950","3","296","2","296","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C128 H160 O40 -","8","1","","Huaiji Zheng; Changgui Zhao; Bowen Fang; Peng Jing; Juan Yang; Xingang Xie; Xuegong She","Asymmetric Total Synthesis of Cladosporin and Isocladosporin","Journal of Organic Chemistry","2012","77","","5656","5663","10.1021/jo300805n","","","0.71073","MoKα","","0.0904","0.0576","","","0.1329","0.1517","","","","","","1.011","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4028774","10.666","0.01","10.666","0.01","18.087","0.017","90","","90","","90","","2058","3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C19 H26 N2 O4 S2 -","- C19 H26 N2 O4 S2 -","- C76 H104 N8 O16 S8 -","4","0.5","","Pradeep Kumar; Vishwajeet Jha; Rajesh Gonnade","Proline-Catalyzed Asymmetric Synthesis of syn- and anti-1,3-Diamines","Journal of Organic Chemistry","2013","78","","11756","11764","10.1021/jo401722e","","","0.71073","MoKα","","0.0418","0.0359","","","0.0932","0.0978","","","","","","1.048","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4029594","12.1532","0.00018","12.1532","0.00018","35.5177","0.0008","90","","90","","90","","5245.97","0.16","","","99.94","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C26 Br N2 O3 -","- C26 Br N2 O3 -","- C208 Br8 N16 O24 -","8","1","","Reeves, Jonathan T.; Lorenc, Chris; Camara, Kaddy; Li, Zhibin; Lee, Heewon; Busacca, Carl A.; Senanayake, Chris H.","Carbamoyl anion addition to nitrones.","The Journal of organic chemistry","2014","79","12","5895","5902","10.1021/jo500848a","","","1.54178","Cu","","0.0722","0.0673","","","","0.2038","","","","","","0.9885","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4030125","11.0691","0.0016","11.0691","0.0016","54.673","0.011","90","","90","","90","","6698.8","1.9","297","","297","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C17 H18 Br N O4 -","- C17 H18 Br N O4 -","- C272 H288 Br16 N16 O64 -","16","2","","Bos, Maxence; Riguet, Emmanuel","Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.","The Journal of organic chemistry","2014","79","22","10881","10889","10.1021/jo501908z","","x-ray","1.54178","CuKα","","0.1554","0.0828","","","0.1904","0.2797","","","","","","1.121","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4030832","11.742","0.005","11.742","0.005","11.961","0.007","90","","90","","90","","1649.1","1.4","","","150","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C12 As Br F16 -","","","4","0.5","","Frohn, H. J.; Giesen, M.; Welting, D.; Henkel, G.","Contributions to the chemistry of brominetrifluorides. Part 2. Bis(pentafluorophenyl)brominium cations with weak nucleophilic fluoroelementate anions","European Journal of Solid State and Inorganic Chemistry","1996","33","","841","853","","","x-ray","0.71073","MoKα","","","0.0384","","","0.037","","","","","","","","","","","","189065","2020-10-21","18:00:00",""
"4031484","6.953","","6.953","","18.33","","90","","90","","90","","886.149","","","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Zn0.62 Co0.38 (H2 O)6 (Se O4)","","- Co0.38 H12 O10 Se Zn0.62 -","- Co0.38 O10 Se Zn0.62 -","- Co1.52 O40 Se4 Zn2.48 -","4","0.5","","Palmer, R.A.; Giles, H.F.jr.","Crystal structure and absolute configuration of cobalt-doped alpha-hexaaquazinc(II) selenate","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1978","1978","","977","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4034407","12.238","0.0001","12.238","0.0001","13.7036","0.0002","90","","90","","90","","2052.37","0.04","150","0.1","150","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0289","0.0284","","","0.0704","0.0708","","","","","","1.078","","","","has coordinates","222938","2020-10-21","18:00:00",""
"4035033","11.19566","0.00005","11.19566","0.00005","16.25033","0.00011","90","","90","","90","","2036.86","0.019","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C80 H104 N8 O16 S8 -","8","1","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0218","0.0218","","","0.0603","0.0603","","","","","","1.089","","","","has coordinates,has disorder","226531","2020-10-21","18:00:00",""
"4035388","10.9173","0.0006","10.9173","0.0006","15.0401","0.001","90","","90","","90","","1792.59","0.18","200","2","200","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H18 N2 O4 S2 -","- C16 H18 N2 O4 S2 -","- C64 H72 N8 O16 S8 -","4","0.5","","Chaminda Lakmal, Hetti Handi; Xu, Joanna Xiuzhu; Xu, Xue; Ahmed, Bassem; Fong, Christopher; Szalda, David J.; Ramig, Keith; Sygula, Andrzej; Webster, Charles Edwin; Zhang, Dongmao; Cui, Xin","Synthesis of C-Unsubstituted 1,2-Diazetidines and Their Ring-Opening Reactions via Selective N-N Bond Cleavage.","The Journal of organic chemistry","2018","83","16","9497","9503","10.1021/acs.joc.8b01223","","","0.71073","MoKα","","0.0836","0.0545","","","0.094","0.1051","","","","","","1.023","","","","has coordinates","226845","2020-10-21","18:00:00",""
"4035814","12.559","0.003","12.559","0.003","56.211","0.009","90","","90","","90","","8866","3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C33 H61 Cl4 N7 O7 -","- C33 H47 Cl4 N7 O7 -","- C264 H376 Cl32 N56 O56 -","8","1","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","1.5418","CuKα","","0.1052","0.1027","","","0.2799","0.2819","","","","","","1.08","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035937","17.659","0.0015","17.659","0.0015","14.3682","0.0012","90","","90","","90","","4480.6","0.7","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C9 H10 Br F N2 O5 -","- C9 H10 Br F N2 O5 -","- C144 H160 Br16 F16 N32 O80 -","16","2","","Voight, Eric A.; Brown, Brian S.; Greszler, Stephen N.; Halvorsen, Geoff T.; Zhao, Gang; Kruger, Albert W.; Hartung, John; Lukin, Kirill A.; Martinez, Steven R.; Moschetta, Eric G.; Tudesco, Michael T.; Ide, Nathan D.","Synthesis of ABBV-168, a 2'-Bromouridine for the Treatment of Hepatitis C.","The Journal of organic chemistry","2019","84","8","4723","4734","10.1021/acs.joc.8b02341","","","0.71073","MoKα","","0.0199","0.0179","","","0.0439","0.0443","","","","","","1.021","","","","has coordinates","264242","2021-04-16","08:49:21",""
"4036302","10.2998","0.0009","10.2998","0.0009","51.732","0.003","90","","90","","90","","5488","0.7","120","","120","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","N-((R)-1-Phenylethyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxamide","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C240 H288 N32 O32 -","16","2","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0482","0.0402","","","0.098","0.1041","","","","","","1.039","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036564","15.6","0.004","15.6","0.004","22.648","0.007","90","","90","","90","","5512","3","200","2","200","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","67 in manuscript","","","- C26 H42 N O4 -","- C26 H42 N O4 -","- C208 H336 N8 O32 -","8","1","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0761","0.058","","","0.1505","0.1625","","","","","","1.05","","","","has coordinates","234876","2020-10-21","18:00:00",""
"4036681","15.5961","0.0009","15.5961","0.0009","14.7319","0.0009","90","","90","","90","","3583.4","0.4","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","38","","","- C13 H27 Cl3 N3 -","- C13 H27 Cl3 N3 -","- C104 H216 Cl24 N24 -","8","1","","Turočkin, Aleksej; Honeker, Roman; Raven, William; Selig, Philipp","Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine.","The Journal of organic chemistry","2016","81","11","4516","4529","10.1021/acs.joc.6b00283","","","0.71073","MoKα","","0.0328","0.0296","","","0.0751","0.0776","","","","","","1.039","","","","has coordinates","235074","2020-10-21","18:00:00",""
"4037282","9.0751","0.0002","9.0751","0.0002","34.9812","0.0006","90","","90","","90","","2880.96","0.1","203","2","203","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C34 H32 N6 -","- C34 H32 N6 -","- C136 H128 N24 -","4","0.5","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0507","0.0398","","","0.1018","0.1096","","","","","","1.011","","","","has coordinates,has disorder","235888","2020-10-21","18:00:00",""
"4037536","8.262","0.0009","8.262","0.0009","27.103","0.003","90","","90","","90","","1850.1","0.4","100","","100","","","","","","","","see text","2","P 41 21 2","P 4abw 2nw","92","","","","- C20 H38 -","- C20 H38 -","- C80 H152 -","4","0.5","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0331","0.03","","","0.0804","0.082","","","","","","1.095","","","","has coordinates","236295","2020-10-21","18:00:00",""
"4037609","11.096","0.003","11.096","0.003","31.919","0.008","90","","90","","90","","3929.9","1.8","293","2","293","2","","","","","","","see text","4","P 41 21 2","P 4abw 2nw","92","","","","- C24 H22 N2 S -","- C24 H22 N2 S -","- C192 H176 N16 S8 -","8","1","","Goel, Atul; Sharma, Ashutosh; Rawat, Madhu; Anand, R. S.; Kant, Ruchir","Synthesis of fluorescent C2-bridged teraryls and quateraryls for blue, sky-blue, and green color light-emitting devices.","The Journal of organic chemistry","2014","79","22","10873","10880","10.1021/jo501891w","","","0.71075","MoKα","","0.0398","0.0356","","","0.0807","0.0833","","","","","","1.049","","","","has coordinates","243448","2020-10-21","18:00:00",""
"4038716","8.7209","0.0001","8.7209","0.0001","41.8621","0.0006","90","","90","","90","","3183.78","0.07","160","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C21 H19 O2 -","- C21 H20 O2 -","- C168 H160 O16 -","8","1","","Göricke, Fabian; Haseloff, Stefan; Laue, Michael; Schneider, Maximilian; Brumme, Thomas; Schneider, Christoph","Phosphoric Acid-Catalyzed Formation of Hydrogen-Bonded ortho-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward Benzannulated Oxygen Heterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01375","","","1.54186","CuKα","","0.0295","0.0288","","","0.0971","0.0984","","","","","","0.939","","","","has coordinates","255670","2020-10-21","18:00:00",""
"4038791","23.9795","0.0003","23.9795","0.0003","13.6928","0.0002","90","","90","","90","","7873.58","0.18","99.98","0.1","99.98","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C39 H28 Br N O6 S -","- C39 H28 Br N O6 S -","- C312 H224 Br8 N8 O48 S8 -","8","1","","Yan, Juzhang; Li, Xiaoping; Chen, Yuzhen; Li, Ying; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai","Organocatalytic 1,4-Addition of Azadienes with 3-Homoacyl Coumarins toward Highly Enantioenriched Benzofuran Coumarin Skeletons.","The Journal of organic chemistry","2020","85","19","12175","12186","10.1021/acs.joc.0c01379","","x-ray","1.54184","CuKα","","0.1017","0.0884","","","0.2383","0.2515","","","","","","1.051","","","","has coordinates","257142","2020-10-21","18:00:00",""
"4060662","11.695","0.002","11.695","0.002","35.299","0.005","90","","90","","90","","4828","1.4","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H12 B F15 N2 -","- C24 H12 B F15 N2 -","- C192 H96 B8 F120 N16 -","8","1","","Milione, Stefano; Grisi, Fabia; Centore, Roberto; Tuzi, Angela","Neutral and Cationic Heteroscorpionate Aluminum Complexes: Synthesis, Structure, and Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2006","25","1","266","274","10.1021/om050902e","","","","","","","","","","","","","","","","","","","","","has coordinates","219010","2020-10-21","18:00:00",""
"4061571","8.2848","0.0007","8.2848","0.0007","39.289","0.003","90","","90","","90","","2696.8","0.4","180","2","180","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C30 H34 P2 S2 -","- C30 H34 P2 S2 -","- C120 H136 P8 S8 -","4","0.5","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063213","8.7599","0.0007","8.7599","0.0007","30.4203","0.001","90","","90","","90","","2334.3","0.3","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","{(C5Me5)Ir2B4H10","","- C20 H40 B4 Ir2 -","- C20 H40 B4 Ir2 -","- C80 H160 B16 Ir8 -","4","0.5","","Xinjian Lei; Maoyu Shang; Thomas P. Fehlner","Utilization of Transition-Metal Properties To Control Polyborane Formation. Synthesis of the arachno-Diiridahexaborane(12) 2,5-{Cp*IrH}2B4H8 and Its Conversion to the nido-Diiridahexaborane(10) 1,2-{Cp*Ir}2(-H)B4H7 (Cp* =5-C5Me5)","Organometallics","2000","19","","118","120","10.1021/om990816c","","","0.71073","MoKα","","0.0498","0.0429","","0.1003","0.0968","","","","1.112","1.132","1.132","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4064207","9.9779","0.0003","9.9779","0.0003","28.4996","0.0006","90","","90","","90","","2837.38","0.13","100","2","100","2","","","","","","","synthesis as described","5","P 41 21 2","P 4abw 2nw","92","","","","- C31 H37 Mo2 O2 P -","- C31 H37 Mo2 O2 P -","- C124 H148 Mo8 O8 P4 -","4","0.5","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Martínez, M. Eugenia; Ruiz, Miguel A.","Binuclear Carbyne and Ketenyl Derivatives of the Alkyl-Bridged Complexes [Mo2(η5-C5H5)2(μ-CH2R)(μ-PCy2)(CO)2] (R = H, Ph)","Organometallics","2011","30","8","2189","","10.1021/om1011819","","x-ray","0.71073","MoKα","","0.0558","0.048","","","0.1177","0.1302","","","","","","1.145","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064215","11.795","0.006","11.795","0.006","19.372","0.013","90","","90","","90","","2695","3","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C25 H40 Br Mn N4 O3 -","- C25 H40 Br Mn N4 O3 -","- C100 H160 Br4 Mn4 N16 O12 -","4","0.5","","Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K.","Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors","Organometallics","2011","30","8","2200","","10.1021/om1011853","","","0.6889","MoKα","","0.0536","0.0507","","","0.1086","0.1102","","","","","","1.161","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064503","15.0177","0.0011","15.0177","0.0011","23.3884","0.0017","90","","90","","90","","5274.8","0.7","123","","123","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C24 H27 F6 Ge N2 O3 Sb -","- C24 H27 F6 Ge N2 O3 Sb -","- C192 H216 F48 Ge8 N16 O24 Sb8 -","8","1","","Arii, Hidekazu; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Lewis Base Complexes of an Enantiomeric Germanium(II) Cation Bearing a Bis(oxazoline) Ligand","Organometallics","2011","30","17","4471","","10.1021/om200149a","","","0.71073","MoKα","","0.0316","0.0257","","","0.054","0.0561","","","","","","1.026","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4068245","21.022","0.001","21.022","0.001","30.883","0.001","90","","90","","90","","13648","1","150","0.1","150","0.1","","","","","","","","10","P 41 21 2","P 4abw 2nw","92","","","","- C106 H156 B2 Cl6 F8 Fe2 N4 P4 Pd4 Si4 -","- C105 H154 B2 Cl4 F8 Fe2 N4 P4 Pd4 Si4 -","- C420 H616 B8 Cl16 F32 Fe8 N16 P16 Pd16 Si16 -","4","0.5","","Cabon, Yves; Carmichael, Duncan; Le Goff, Xavier-Frédéric","Concise Synthesis of Enantiopure (S)-(+)-2,2′-Bis(tert-butyldimethylsilyl)-1,1′-diphosphaferrocene: Anion-Dependence of Its Coordination to Palladium(II) Centers","Organometallics","2009","28","1","370","","10.1021/om800009e","","","0.71069","MoKα","","0.0484","0.0445","","","0.1245","0.1276","","","","","","1.072","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068704","12.9842","0.0003","12.9842","0.0003","33.0971","0.0011","90","","90","","90","","5579.8","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C60 H78 N4 O2 Y2 -","- C60 H78 N4 O2 Y2 -","- C240 H312 N16 O8 Y8 -","4","0.5","","Lyubov, D. M.; Fukin, G. K.; Cherkasov, A. V.; Shavyrin, Andrei S.; Trifonov, A. A.; Luconi, L.; Bianchini, C.; Meli, A.; Giambastiani, G.","Selective σ-Bond Metathesis in Alkyl−Aryl and Alkyl−Benzyl Yttrium Complexes. New Aryl− and Benzyl−Hydrido Yttrium Derivatives Supported by Amidopyridinate Ligands","Organometallics","2009","28","4","1227","","10.1021/om801044h","","","0.71073","MoKα","","0.0301","0.0257","","","0.0608","0.0619","","","","","","1.079","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4069346","16.532","0.002","16.532","0.002","26.081","0.003","90","","90","","90","","7128.1","1.5","123","2","123","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C66 H90 N10 O4 Zn8 -","- C66 H90 N10 O4 Zn8 -","- C264 H360 N40 O16 Zn32 -","4","0.5","","Pettersen, Anna; Lennartson, Anders; Håkansson, Mikael","Synthesis and Total Spontaneous Resolution of an Octanuclear Organo(oxo)zinc Complex","Organometallics","2009","28","12","3567","","10.1021/om900153g","","","0.71073","MoKα","","0.0395","0.0373","","","0.082","0.083","","","","","","1.093","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4069871","9.4197","0.0003","9.4197","0.0003","26.592","0.002","90","","90","","90","","2359.5","0.2","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C20 H20 O2 Sm -","- C30 H27 O2 Sm -","- C120 H108 O8 Sm4 -","4","0.5","","Rabe, Gerd W.; Riederer, Florian A.; Zhang-Presse, Mei; Rheingold, Arnold L.","Flexible Coordination Mode of a Donor-Functionalized Terphenyl Ligand in Monomeric Cp-Based Lanthanocenes","Organometallics","2009","28","17","5277","","10.1021/om900465c","","","0.71073","MoKα","","0.0187","0.0179","","","0.0451","0.0453","","","","","","1.09","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069880","10.61891","0.00008","10.61891","0.00008","38.1686","0.0004","90","","90","","90","","4303.94","0.06","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C44 H64 Cu2 Fe2 Li2 O6 -","- C44 H64 Cu2 Fe2 Li2 O6 -","- C176 H256 Cu8 Fe8 Li8 O24 -","4","0.5","","Bomparola, Roberta; Davies, Robert P.; Gray, Tracey; White, Andrew J. P.","Structures of Lithium Ferrocenylenecuprates and Their Oxidative Coupling Reactions","Organometallics","2009","28","16","4632","","10.1021/om9004737","","","1.54248","CuKα","","0.0372","0.028","","","0.0665","0.0712","","","","","","1.061","","","","has coordinates,has disorder","178587","2020-10-21","18:00:00",""
"4069996","17.1895","0.0008","17.1895","","14.7265","0.0009","90","","90","","90","","4351.4","0.3","100","2","100","2","","","","","","","synthesis as described","6","P 41 21 2","P 4abw 2nw","92","","","","- C51 H57 N O2 Si2 Ti -","- C51 H57 N O2 Si2 Ti -","- C204 H228 N4 O8 Si8 Ti4 -","4","0.5","","Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François","Group 4 Post-metallocene Complexes Incorporating Tridentate Silyl-Substituted Bis(naphthoxy)pyridine and Bis(naphthoxy)thiophene Ligands: Probing Systems for “Oscillating” Olefin Polymerization Catalysis","Organometallics","2009","28","17","5036","","10.1021/om900550s","","x-ray","0.71073","MoKα","","0.038","0.0336","","","0.0824","0.0853","","","","","","1.049","","","","has coordinates,has disorder","178588","2020-10-21","18:00:00",""
"4071104","10.4019","0.0001","10.4019","0.0001","34.9279","0.0003","90","","90","","90","","3779.18","0.06","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C42 H43 F6 N2 O2 P Pd -","- C42 H43 F6 N2 O2 P Pd -","- C168 H172 F24 N8 O8 P4 Pd4 -","4","0.5","","Gosiewska, Silvia; Martinez Herreras, Sara; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; van Klink, Gerard P. M.; van Koten, Gerard; Gebbink, Robertus J. M. Klein","Synthesis, Structure, and Catalytic Performance of Diastereopure Five-Coordinated NCN-Pincer Palladium(II) Complexes Bearing Bulky Amino Acid Substituents","Organometallics","2008","27","11","2549","","10.1021/om701261q","","","0.71073","MoKα","","0.0335","0.0296","","","0.0717","0.0743","","","","","","1.047","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071105","10.3592","0.0001","10.3592","0.0001","33.8828","0.0002","90","","90","","90","","3636.07","0.05","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C42 H43 B F4 N2 O2 Pd -","- C42 H43 B F4 N2 O2 Pd -","- C168 H172 B4 F16 N8 O8 Pd4 -","4","0.5","","Gosiewska, Silvia; Martinez Herreras, Sara; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; van Klink, Gerard P. M.; van Koten, Gerard; Gebbink, Robertus J. M. Klein","Synthesis, Structure, and Catalytic Performance of Diastereopure Five-Coordinated NCN-Pincer Palladium(II) Complexes Bearing Bulky Amino Acid Substituents","Organometallics","2008","27","11","2549","","10.1021/om701261q","","","0.71073","MoKα","","0.0358","0.0309","","","0.0759","0.079","","","","","","1.05","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071291","8.99","0.001","8.99","0.001","28.589","0.003","90","","90","","90","","2310.6","0.4","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H38 Fe O4 P4 -","- C16 H38 Fe O4 P4 -","- C64 H152 Fe4 O16 P16 -","4","0.5","","Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Turnbull, Anthony J.; Willis, Anthony C.","Addition of CO2to Alkyl Iron Complexes, Fe(PP)2Me2","Organometallics","2008","27","9","2092","","10.1021/om800091a","","","0.71073","MoKα","","0.018","0.0174","","","0.0485","0.0488","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071628","10.099","0.008","10.099","0.008","25.157","0.019","90","","90","","90","","2566","3","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","1-toryl-2,3,4,5-tetraphenylborole","","","- C35 H27 B -","- C35 H27 B -","- C140 H108 B4 -","4","0.5","","So, Cheuk-Wai; Watanabe, Daisuke; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Synthesis and Structural Characterization of Pentaarylboroles and Their Dianions","Organometallics","2008","27","14","3496","","10.1021/om8002812","","","0.7107","MoKα","","0.0863","0.0811","","","0.2055","0.2112","","","","","","1.163","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071899","7.4997","0.0008","7.4997","0.0008","38.126","0.005","90","","90","","90","","2144.4","0.4","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C21 H27 B F4 N2 -","- C21 H27 B F4 N2 -","- C84 H108 B4 F16 N8 -","4","0.5","","Grisi, Fabia; Costabile, Chiara; Gallo, Emanuela; Mariconda, Annaluisa; Tedesco, Consiglia; Longo, Pasquale","Ruthenium-Based Complexes Bearing Saturated Chiral N-Heterocyclic Carbene Ligands: Dynamic Behavior and Catalysis","Organometallics","2008","27","18","4649","","10.1021/om800459y","","","1.5419","CuKα","","0.0795","0.0792","","","0.2608","0.2618","","","","","","1.409","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071956","13.8106","0.0004","13.8106","0.0004","26.083","0.0008","90","","90","","90","","4974.9","0.3","173.1","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C60 H56 B2 F8 N2 Rh2 -","- C60 H56 B2 F8 N2 Rh2 -","- C240 H224 B8 F32 N8 Rh8 -","4","0.5","","Matsuzawa, Hiroshi; Tanabe, Yoshiaki; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Optically ActiveN,N,N′,N′-Tetraphenyl-1,1′-binaphthyl-2,2′-diamine Derivatives as Analogues of BINAP","Organometallics","2008","27","15","4021","","10.1021/om800485s","","","0.71075","MoKα","","","0.0459","","","","0.1054","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072057","12.366","0.003","12.366","0.003","29.154","0.008","90","","90","","90","","4458","2","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C48 H64 N4 Na4 -","- C48 H64 N4 Na4 -","- C192 H256 N16 Na16 -","4","0.5","","Liu, Yanyan; Yang, Peiju; Yu, Jie; Yang, Xiao-Juan; Zhang, Jun D.; Chen, Zhongfang; Schaefer, Henry F.; Wu, Biao","Sodium and Magnesium Complexes with Dianionic α-Diimine Ligands","Organometallics","2008","27","22","5830","","10.1021/om800554q","","","0.71073","MoKα","","0.2655","0.064","","","0.1363","0.204","","","","","","0.91","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072718","17.864","0.003","17.864","0.003","26.009","0.005","90","","90","","90","","8300","3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Hydrogen-(2R*,3R*,7S*,8S*)-2,3,7,8-tetramethyl-2,3,7,8-tetrakis[tris (trimethylsilyl)silyl]-5-aluminata-1,4,6,9-tetraoxa-2,3,7,8-tetrasila- spiro[4.4]nonane","","- C40 H120 Al O4 Si20 -","- C40 H120 Al O4 Si20 -","- C160 H480 Al4 O16 Si80 -","4","0.5","","Krempner, C.; Reinke, H.; Weichert, K.","Synthesis and Structure of Cyclic Aluminum Disiloxides","Organometallics","2007","26","6","1386","","10.1021/om060969h","","","0.71073","MoKα","","0.078","0.0654","","","0.14","0.1455","","","","","","1.134","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4076182","8.1431","0.0002","8.1431","0.0002","20.545","0.0008","90","","90","","90","","1362.34","0.07","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C11 H18 Ag Cl N2 -","- C11 H18 Ag Cl N2 -","- C44 H72 Ag4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0145","0.0144","","","0.0453","0.0453","","","","","","1.393","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076431","10.69","0.005","10.69","0.005","38.51","0.005","90","","90","","90","","4401","3","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","5a","","","- C46 H66 N4 O3 Sr -","- C46 H66 N4 O3 Sr -","- C184 H264 N16 O12 Sr4 -","4","0.5","","Panda, Tarun K.; Yamamoto, Keishi; Yamamoto, Koji; Kaneko, Hiroshi; Yang, Yi; Tsurugi, Hayato; Mashima, Kazushi","Preparation and Structure of Iminopyrrolyl and Amidopyrrolyl Complexes of Group 2 Metals","Organometallics","2012","31","6","2268","","10.1021/om201210y","","","0.71069","MoKα","","0.0718","0.0552","","","0.0904","0.0955","","","","","","1.037","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076432","10.708","0.005","10.708","0.005","39.197","0.005","90","","90","","90","","4494","3","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","6a","","","- C46 H66 Ba N4 O3 -","- C46 H66 Ba N4 O3 -","- C184 H264 Ba4 N16 O12 -","4","0.5","","Panda, Tarun K.; Yamamoto, Keishi; Yamamoto, Koji; Kaneko, Hiroshi; Yang, Yi; Tsurugi, Hayato; Mashima, Kazushi","Preparation and Structure of Iminopyrrolyl and Amidopyrrolyl Complexes of Group 2 Metals","Organometallics","2012","31","6","2268","","10.1021/om201210y","","","0.71069","MoKα","","0.0865","0.0689","","","0.1076","0.1136","","","","","","1.016","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4077328","15.293","0.0012","15.293","0.0012","27.764","0.002","90","","90","","90","","6493.3","0.9","200","2","200","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C65.5 H50 Cl N2 O5 P4 Ru2 -","- C65.5 H50 Cl N2 O5 P4 Ru2 -","- C262 H200 Cl4 N8 O20 P16 Ru8 -","4","0.5","","Gao, Yuan; Jennings, Michael C.; Puddephatt, Richard J.; Jenkins, Hilary A.","Synthesis and Reactivity of a Diruthenium Diazoalkane Complex","Organometallics","2001","20","16","3500","","10.1021/om0102293","","","0.71073","MoKα","","0.2192","0.078","","","0.1599","0.1952","","","","","","0.927","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078357","11.374","0.005","11.374","0.005","18.75","0.005","90","","90","","90","","2425.6","1.6","223","2","223","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H32 Fe N2 O6 -","- C24 H32 Fe N2 O6 -","- C96 H128 Fe4 N8 O24 -","4","0.5","","Oberhoff, Markus; Duda, Lothar; Karl, Jörn; Mohr, Roland; Erker, Gerhard; Fröhlich, Roland; Grehl, Matthias","The Isocyanate Route to Cyclopentadienyl-Carboxamide- and Cyclopentadienyl-Amino Ester-Substituted Metallocene Complexes","Organometallics","1996","15","19","4005","","10.1021/om960234k","","","0.71073","MoKα","","0.088","0.0392","","0.1154","0.0993","","","","1.115","1.137","1.137","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078676","10.0609","0.0013","10.0609","0.0013","31.897","0.006","90","","90","","90","","3228.7","0.8","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C18 H17 Cl N2 Pt -","- C18 H17 Cl N2 Pt -","- C144 H136 Cl8 N16 Pt8 -","8","1","","Blackburn, Octavia A.; Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James","Syntheses, Structures, and Electronic and Optical Properties of Platinum(II) Complexes of 1,3-Bis(imino)benzene-Derived Pincer Ligands","Organometallics","2012","31","15","5307","","10.1021/om3003152","","","0.71073","MoKα","","0.041","0.0341","","","0.0646","0.0661","","","","","","1.165","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078840","8.7682","0.0007","8.7682","0.0007","20.718","0.003","90","0","90","0","90","0","1592.8","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C13 H18 Au Cl3 N2 -","- C13 H18 Au Cl3 N2 -","- C52 H72 Au4 Cl12 N8 -","4","0.5","","Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh","Syntheses, Characterizations, and a Preliminary Comparative Cytotoxicity Study of Gold(I) and Gold(III) Complexes Bearing Benzimidazole- and Pyrazole-Derived N-Heterocyclic Carbenes","Organometallics","2012","31","16","5875","","10.1021/om300444c","","","0.71073","MoKα","","0.0257","0.0248","","","0.0634","0.0636","","","","","","1.162","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078916","12.2048","0.0002","12.2048","0.0002","30.1528","0.0004","90","","90","","90","","4491.47","0.12","200","","200","","","","","","","","from RMITU","6","P 41 21 2","P 4abw 2nw","92","","","","- C46 H38 F8 N2 P2 Pd2 -","- C46 H38 F8 N2 P2 Pd2 -","- C184 H152 F32 N8 P8 Pd8 -","4","0.5","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0268","0.0204","","0.0537","0.0491","0.0537","","","","","","0.9069","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4079992","16.9621","0.0008","16.9621","0.0008","20.3077","0.0005","90","","90","","90","","5842.8","0.4","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","jfc196","","","- C54.25 H84.5 F6 N4 O0.75 Pt -","- C52 H80 F6 N4 Pt -","- C208 H320 F24 N16 Pt4 -","4","0.5","","Berenguer, Jesús R.; Fernández, Julio; Lalinde, Elena; Sánchez, Sergio","New Trans-Configured Acetylide‒Cyanide Platinum(II) Anions: Spectroscopic and Optical Studies","Organometallics","2013","32","3","835","","10.1021/om301134k","","","0.71073","MoKα","","0.0713","0.0474","","","0.1084","0.1177","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080638","8.5597","0.0003","8.5597","0.0003","23.7678","0.0008","90","","90","","90","","1741.43","0.1","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C24 H16 Si -","- C24 H16 Si -","- C96 H64 Si4 -","4","0.5","","Pusztai, Erika; Toulokhonova, Irina S.; Temple, Nicole; Albright, Haley; Zakai, Uzma I.; Guo, Song; Guzei, Ilia A.; Hu, Rongrong; West, Robert","Synthesis and Photophysical Properties of Asymmetric Substituted Silafluorenes","Organometallics","2013","32","9","2529","","10.1021/om300891n","","","1.54178","CuKα","","0.0276","0.0275","","","0.0716","0.0716","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081146","24.1836","0.0012","24.1836","0.0012","10.5165","0.0005","90","","90","","90","","6150.5","0.5","233","2","233","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","[(Fc-NHC)2Ir(COD)][Ir(COD)Cl]","","","- C62 H72 Cl2 Fe2 Ir2 N4 -","- C62 H72 Cl2 Fe2 Ir2 N4 -","- C248 H288 Cl8 Fe8 Ir8 N16 -","4","0.5","","Arumugam, Kuppuswamy; Chang, Jinho; Lynch, Vincent M.; Bielawski, Christopher W.","Cationic Iridium Complexes Containing Anionic Iridium Counterions Supported by Redox-Active N-Heterocyclic Carbenes","Organometallics","2013","32","15","4334","","10.1021/om4004829","","","0.71069","MoKα","","0.0569","0.0428","","","0.0954","0.1005","","","","","","1.103","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081320","8.7682","0.0007","8.7682","0.0007","20.718","0.003","90","0","90","0","90","0","1592.8","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C13 H18 Au Cl3 N2 -","- C13 H18 Au Cl3 N2 -","- C52 H72 Au4 Cl12 N8 -","4","0.5","","Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin","Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III)","Organometallics","2013","32","16","4591","","10.1021/om400563e","","","0.71073","MoKα","","0.0257","0.0248","","","0.0634","0.0636","","","","","","1.162","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4082813","13.501","0.0015","13.501","0.0015","14.6888","0.0017","90","","90","","90","","2677.4","0.5","133","2","133","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C34 H32 Fe N4 -","- C34 H32 Fe N4 -","- C136 H128 Fe4 N16 -","4","0.5","","Liu, Yang; Shi, Min; Deng, Liang","Iron(II) Dihydrocarbyls Supported by a Biphenyl-Linked Bis(benzimidazol-2-ylidene) Ligand: Syntheses and Characterization","Organometallics","2014","33","20","5660","","10.1021/om5000612","","","0.71073","MoKα","","0.104","0.1017","","","0.2106","0.2118","","","","","","1.309","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082884","11.7799","0.0003","11.7799","0.0003","21.5302","0.0008","90","","90","","90","","2987.66","0.15","291","2","291.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H37 Br N4 Pd -","- C32 H37 Br N4 Pd -","- C128 H148 Br4 N16 Pd4 -","4","0.5","","Hao, Xin-Qi; Zhao, Yong-Wei; Yang, Jing-Jing; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","Enantioselective Hydrophosphination of Enones with Diphenylphosphine Catalyzed by Bis(imidazoline) NCN Pincer Palladium(II) Complexes","Organometallics","2014","33","7","1801","","10.1021/om500144b","","","0.7107","MoKα","","0.0501","0.0387","","","0.0895","0.0951","","","","","","1.074","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082933","11.9233","0.0002","11.9233","0.0002","13.3966","0.0002","90","","90","","90","","1904.53","0.05","233","2","233","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C20 H24 Cu N2 O2 -","- C20 H24 Cu N2 O2 -","- C80 H96 Cu4 N8 O8 -","4","0.5","","Pittracher, Michael; Frisch, Ulla; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Oehninger, Luciano; Ott, Ingo; Wuttke, Evelyn; Scheerer, Stefan; Winter, Rainer F.; Bildstein, Benno","π-Complexes of Tropolone and Its N-Derivatives: Ambidentate [O,O]/[N,O]/[N,N]-Cycloheptatrienyl Pentamethylcyclopentadienyl Ruthenium Sandwich Complexes","Organometallics","2014","33","7","1630","","10.1021/om401200t","","","0.71073","MoKα","","0.0193","0.0185","","","0.048","0.0484","","","","","","1.103","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4083292","12.8344","0.0011","12.8344","0.0011","34.222","0.003","90","","90","","90","","5637.1","0.8","120","2","120","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C52 H76 P4 Pd2 -","- C52 H76 P4 Pd2 -","- C208 H304 P16 Pd8 -","4","0.5","","Barrett, Brittany J.; Iluc, Vlad M.","Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone","Organometallics","2014","33","10","2565","","10.1021/om500256r","","","0.71073","MoKα","","0.0485","0.0382","","","0.0634","0.0659","","","","","","1.051","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4084616","12.474","0.0009","12.474","0.0009","41.302","0.003","90","","90","","90","","6426.6","0.8","150","1","150","1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C60 H80 N6 O3 Si4 Sn -","- C56 H72 N6 O2 Si4 Sn -","- C224 H288 N24 O8 Si16 Sn4 -","4","0.5","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Merna, Jan; Alonso, Mercedes; De Proft, Frank; Růžička, Aleš","Reactivity of Tin(II) Guanidinate with 1,2- and 1,3-Diones: Oxidative Cycloaddition or Ligand Substitution ?","Organometallics","2015","34","11","2202","","10.1021/om500873a","","","0.71073","MoKα","","0.0768","0.0656","","","0.1536","0.161","","","","","","1.108","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084990","12.111","0.0017","12.111","0.0017","33.215","0.003","90","","90","","90","","4871.9","1.1","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H29 N Pd Si -","- C24 H29 N Pd Si -","- C192 H232 N8 Pd8 Si8 -","8","1","","Koller, Stephan G.; Martín-Romo, Raquel; Melero, José S.; Colquhoun, Victoria P.; Schildbach, Daniel; Strohmann, Carsten; Villafañe, Fernando","Structural Consequences of an Extreme Difference between theTransInfluence of the Donor Atoms in a Palladacycle","Organometallics","2014","33","24","7329","","10.1021/om501100y","","","0.71073","MoKα","","0.0566","0.048","","","0.1434","0.1535","","","","","","1.092","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4085157","13.1104","0.00006","13.1104","0.00006","44.8658","0.0004","90","","90","","90","","7711.65","0.08","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C38 H68 Cr N2 Si2 -","- C38 H68 Cr N2 Si2 -","- C304 H544 Cr8 N16 Si16 -","8","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.027","0.0268","","","0.0684","0.0686","","","","","","1.038","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4086705","20.0703","0.0002","20.0703","0.0002","13.4408","0.0003","90","","90","","90","","5414.18","0.14","298","2","298","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C49 H40 F6 N6 O4 Pd2 -","- C56 H32 F6 N6 O4 Pd2 -","- C224 H128 F24 N24 O16 Pd8 -","4","0.5","","Agarwal, Pallavi; Thirupathi, Natesan; Nethaji, Munirathinam","Syntheses, Structural Aspects, Solution Behavior, and Catalytic Utility of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N))Pd(Pyrazole)2X] (X = Br, OC(O)CF3, and PF6) in Suzuki‒Miyaura Coupling Reactions of Aryl Bromides","Organometallics","2016","35","18","3112","","10.1021/acs.organomet.6b00442","","","0.71073","MoKα","","0.0574","0.0521","","","0.1247","0.1278","","","","","","1.128","","","","has coordinates","186936","2020-10-21","18:00:00",""
"4088732","10.7528","0.0003","10.7528","0.0003","42.2319","0.0016","90","","90","","90","","4883","0.3","200","","200","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C54 H62 Ca N4 O2 -","- C54 H62 Ca N4 O2 -","- C216 H248 Ca4 N16 O8 -","4","0.5","","He, Meng; Gamer, Michael T.; Roesky, Peter W.","Homoleptic Chiral Benzamidinate Complexes of the Heavier Alkaline Earth Metals and the Divalent Lanthanides","Organometallics","2016","35","16","2638","","10.1021/acs.organomet.6b00373","","","0.71073","MoKα","","0.0576","0.0356","","","0.0875","0.0929","","","","","","0.837","","","","has coordinates,has disorder","237797","2020-10-21","18:00:00",""
"4088733","10.8493","0.0002","10.8493","0.0002","42.3753","0.0014","90","","90","","90","","4987.9","0.2","200","","200","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C54 H62 N4 O2 Sr -","- C54 H62 N4 O2 Sr -","- C216 H248 N16 O8 Sr4 -","4","0.5","","He, Meng; Gamer, Michael T.; Roesky, Peter W.","Homoleptic Chiral Benzamidinate Complexes of the Heavier Alkaline Earth Metals and the Divalent Lanthanides","Organometallics","2016","35","16","2638","","10.1021/acs.organomet.6b00373","","","0.71073","MoKα","","0.0647","0.0339","","","0.0681","0.0743","","","","","","0.81","","","","has coordinates,has disorder","237797","2020-10-21","18:00:00",""
"4100406","13.6002","0.0014","13.6002","0.0014","51.477","0.01","90","","90","","90","","9521","2","100","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C42 H49 Cl2 F12 O P2 Rh Sb2 -","- C42 H47 Cl2 F12 O P2 Rh Sb2 -","- C336 H376 Cl16 F96 O8 P16 Rh8 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100407","13.6161","0.0003","13.6161","0.0003","51.58","0.002","90","","90","","90","","9562.8","0.5","100","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C42 H49 Cl2 F12 Ir O P2 Sb2 -","- C42 H47 Cl2 F12 Ir O P2 Sb2 -","- C336 H376 Cl16 F96 Ir8 O8 P16 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100408","13.6029","0.0004","13.6029","0.0004","51.708","0.003","90","","90","","90","","9567.9","0.7","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C42 H50 Cl2 F12 Ir N O P2 Sb2 -","- C42 H48 Cl2 F12 Ir N O P2 Sb2 -","- C336 H384 Cl16 F96 Ir8 N8 O8 P16 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100410","13.6725","0.0003","13.6725","0.0003","52.004","0.003","90","","90","","90","","9721.5","0.6","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C43 H50 Cl2 F12 N O P2 Rh Sb2 -","- C43 H50 Cl2 F12 N O P2 Rh Sb2 -","- C344 H400 Cl16 F96 N8 O8 P16 Rh8 Sb16 -","8","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4101272","29.055","0.003","29.055","0.003","30.767","0.007","90","","90","","90","","25973","7","78","2","78","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C157.48 H111.92 Mn3.18 N45.66 O106.58 Pd6 -","- C157.184 H111.74 Mn3.148 N45.664 O106.536 Pd6 -","- C628.736 H446.96 Mn12.592 N182.656 O426.144 Pd24 -","4","0.5","","Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto","Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage.","Journal of the American Chemical Society","2006","128","20","6558","6559","10.1021/ja0609250","","","0.71073","MoKα","","0.1633","0.1022","","","0.2581","0.3117","","","","","","1.074","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101982","12.9267","0.0001","12.9267","0.0001","52.8783","0.0005","90","","90","","90","","8835.94","0.13","103","2","103","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C66 H144 Si16 -","- C66 H144 Si16 -","- C264 H576 Si64 -","4","0.5","","Joon Soo Han; Takahiro Sasamori; Yoshiyuki Mizuhata; Norihiro Tokitoh","Reactivity of an Aryl-Substituted Silicon-Silicon Triple Bond: Reactions of a 1,2-Diaryldisilyne with Alkenes","Journal of the American Chemical Society","2010","132","","2546","2547","10.1021/ja9108566","","","0.71069","MoKα","","0.0444","0.0436","","","0.1115","0.1121","","","","","","1.217","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102435","15.8539","0.001","15.8539","0.001","21.66","0.003","90","","90","","90","","5444.2","0.9","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.07","0.0638","","","0.1725","0.1775","","","","","","1.11","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102436","15.8773","0.0012","15.8773","0.0012","21.684","0.003","90","","90","","90","","5466.3","1","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O12 -","- C58 H44 Cd Cl2 N12 O12 -","- C232 H176 Cd4 Cl8 N48 O48 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0728","0.0622","","","0.1704","0.1786","","","","","","1.091","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102439","15.8318","0.0013","15.8318","0.0013","21.957","0.004","90","","90","","90","","5503.4","1.2","123","2","123","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O10 S2 -","- C58 H44 Cd Cl2 N12 O10 S2 -","- C232 H176 Cd4 Cl8 N48 O40 S8 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0686","0.0593","","","0.1471","0.1526","","","","","","1.089","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102440","15.844","0.001","15.844","0.001","21.837","0.003","90","","90","","90","","5481.8","0.9","123","2","123","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O10 S2 -","- C58 H44 Cd Cl2 N12 O10 S2 -","- C232 H176 Cd4 Cl8 N48 O40 S8 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0723","0.0584","","","0.1425","0.1512","","","","","","1.078","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102441","15.8792","0.0011","15.8792","0.0011","21.594","0.003","90","","90","","90","","5444.9","0.9","123","2","123","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C53 H40 Cd Cl2 N12 O9 S -","- C53 H40 Cd Cl2 N12 O9 S -","- C212 H160 Cd4 Cl8 N48 O36 S4 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0877","0.0693","","","0.1682","0.1774","","","","","","1.11","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102442","15.8271","0.0009","15.8271","0.0009","21.856","0.002","90","","90","","90","","5474.9","0.7","123","2","123","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C58 H44 Cd Cl2 N12 O10 S2 -","- C58 H44 Cd Cl2 N12 O10 S2 -","- C232 H176 Cd4 Cl8 N48 O40 S8 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0578","0.0521","","","0.1344","0.1388","","","","","","1.077","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102446","15.8496","0.0016","15.8496","0.0016","21.709","0.004","90","","90","","90","","5453.5","1.3","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0554","0.0501","","","0.1294","0.1328","","","","","","1.082","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102447","15.8633","0.0016","15.8633","0.0016","21.76","0.003","90","","90","","90","","5475.8","1.1","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0542","0.0489","","","0.1329","0.1383","","","","","","1.091","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102448","15.8635","0.0008","15.8635","0.0008","21.463","0.002","90","","90","","90","","5401.2","0.6","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0449","0.0423","","","0.1138","0.116","","","","","","1.065","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102450","15.8725","0.0012","15.8725","0.0012","21.673","0.003","90","","90","","90","","5460.2","1","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0581","0.0528","","","0.1492","0.1533","","","","","","1.078","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102451","15.8878","0.0011","15.8878","0.0011","21.703","0.003","90","","90","","90","","5478.3","0.9","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C55 H45 Cd Cl2 N13 O8 -","- C55 H45 Cd Cl2 N13 O8 -","- C220 H180 Cd4 Cl8 N52 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion","Journal of the American Chemical Society","2010","132","","7005","7017","10.1021/ja101807c","","","0.71073","MoKα","","0.0627","0.0544","","","0.1463","0.1524","","","","","","1.08","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102995","17.815","0.002","17.815","0.002","55.126","0.007","90","","90","","90","","17496","4","100","0.1","100","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","4","","","- C168 H216 Au4 Cu4 O16 -","- C168 H216 Au4 Cu4 O16 -","- C672 H864 Au16 Cu16 O64 -","4","0.5","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.1235","0.0758","","","0.1809","0.2011","","","","","","0.98","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4104550","6.8604","0.0013","6.8604","0.0013","40.242","0.011","90","","90","","90","","1894","0.7","110","2","110","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C92 H96 N8 O12 -","4","0.5","","Marino J. E. Resendiz; Farnosh Family; Kerrian Fuller; Luis M. Campos; Saeed I. Khan; Natalia V. Lebedeva; Malcolm D. E. Forbes; Miguel A. Garcia-Garibay","Radical Reactions with Double Memory of Chirality (2MOC) for the Enantiospecific Synthesis of Adjacent Stereogenic Quaternary Centers in Solution: Cleavage and Bonding Faster than Radical Rotation","Journal of the American Chemical Society","2009","131","","8425","8433","10.1021/ja900781n","","","0.71073","MoKα","","0.0635","0.0591","","","0.1324","0.1339","","","","","","1.289","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104745","28.7749","0.0003","28.7749","0.0003","24.4911","0.0006","90","","90","","90","","20278.5","0.6","123","2","123","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C93 H124 Ag3 N9 O26 -","- C93 H84 Ag3 N9 O26 -","- C744 H672 Ag24 N72 O208 -","8","1","","Guozan Yuan; Chengfeng Zhu; Yan Liu; Weimin Xuan; Yong Cui","Anion-Driven Conformational Polymorphism in Homochiral Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","10452","10460","10.1021/ja901154p","","","1.54178","CuKα","","0.0665","0.064","","","0.1693","0.1718","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104983","19.4191","0.0002","19.4191","0.0002","16.2612","0.0002","90","","90","","90","","6132.12","0.12","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","3","P 41 21 2","P 4abw 2nw","92","","","","- C14 H26 O4 -","- C14 H26 O4 -","- C224 H416 O64 -","16","2","","Timothy J. Donohoe; Robert M. Harris; Oliver Williams; Gráinne C. Hargaden; Jeremy Burrows; Jeremy Parker","Concise Syntheses of the Natural Products (+)-Sylvaticin and (+)-cis-Sylvaticin","Journal of the American Chemical Society","2009","131","","12854","12861","10.1021/ja9049959","","","0.71073","MoKα","","0.0551","0.0365","","0.0605","0.0468","0.0468","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105357","12.0796","0.0007","12.0796","0.0007","17.3913","0.001","90","","90","","90","","2537.7","0.3","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C120 H120 N8 O16 -","4","0.5","","Marwan W. Ghosn; Christian Wolf","Chiral Amplification with a Stereodynamic Triaryl Probe: Assignment of the Absolute Configuration and Enantiomeric Excess of Amino Alcohols","Journal of the American Chemical Society","2009","131","","16360","16361","10.1021/ja907741v","","","0.71073","MoKα","","0.0351","0.0316","","","0.0784","0.081","","","","","","1.035","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105358","12.3733","0.0013","12.3733","0.0013","17.4603","0.0019","90","","90","","90","","2673.1","0.5","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C32 H34 N2 O4 -","- C32 H34 N2 O4 -","- C128 H136 N8 O16 -","4","0.5","","Marwan W. Ghosn; Christian Wolf","Chiral Amplification with a Stereodynamic Triaryl Probe: Assignment of the Absolute Configuration and Enantiomeric Excess of Amino Alcohols","Journal of the American Chemical Society","2009","131","","16360","16361","10.1021/ja907741v","","","0.71073","MoKα","","0.0945","0.0505","","","0.0741","0.0845","","","","","","1.043","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4106153","17.686","0.003","17.686","0.003","14.605","0.003","90","","90","","90","","4568.4","1.4","144","2","144","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","TAM(en-3,2-HOPO)2 uranyl complex","","","- C40 H60 N8 O14 U -","- C40 H60 N8 O14 U -","- C160 H240 N32 O56 U4 -","4","0.5","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0395","0.0298","","","0.0616","0.0638","","","","","","1.032","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106286","9.1703","0.0003","9.1703","0.0003","15.5694","0.0014","90","","90","","90","","1309.3","0.13","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C10 H18 Br Li N2 O4 -","- C10 H18 Br Li N2 O4 -","- C40 H72 Br4 Li4 N8 O16 -","4","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0185","0.0181","","","0.0447","0.0449","","","","","","1.078","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106288","9.0791","0.0001","9.0791","0.0001","15.4104","0.0002","90","","90","","90","","1270.28","0.03","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C10 H18 Cl Li N2 O4 -","- C10 H18 Cl Li N2 O4 -","- C40 H72 Cl4 Li4 N8 O16 -","4","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0231","0.0229","","","0.0662","0.0663","","","","","","1.022","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106516","12.5388","0.0004","12.5388","0.0004","78.145","0.005","90","","90","","90","","12286.1","1","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C57 H58 B F24 Ir O2 P2 -","- C57 H58 B F24 Ir O2 P2 -","- C456 H464 B8 F192 Ir8 O16 P16 -","8","1","","Michael Findlater; Alison Cartwright-Sykes; Peter S. White; Cynthia K. Schauer; Maurice Brookhart","Role of Coordination Geometry in Dictating the Barrier to Hydride Migration in d6 Square-Pyramidal Iridium and Rhodium Pincer Complexes","Journal of the American Chemical Society","2011","133","","12274","12284","10.1021/ja204851x","","","1.54178","CuKα","","0.0352","0.0351","","","0.0803","0.0804","","","","","","1.216","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107000","11.0719","0.0003","11.0719","0.0003","23.9032","0.0007","90","","90","","90","","2930.22","0.14","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H24 Cl2 O6 P2 Pd -","- C30 H24 Cl2 O6 P2 Pd -","- C120 H96 Cl8 O24 P8 Pd4 -","4","0.5","","Laura A. Brozek; Michael J. Ardolino; James P. Morken","Diastereocontrol in Asymmetric Allyl-Allyl Cross-Coupling: Stereocontrolled Reaction of Prochiral Allylboronates with Prochiral Allyl Chlorides","Journal of the American Chemical Society","2011","133","","16778","16781","10.1021/ja2075967","","","0.71073","MoKα","","0.0149","0.0145","","","0.0376","0.0378","","","","","","1.119","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107694","19.3707","0.0004","19.3707","0.0004","32.1948","0.0006","90","","90","","90","","12080.3","0.4","93.1","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C51 H87 N O38 -","- C51 H54 N O38 -","- C408 H432 N8 O304 -","8","1","","Kazuhiro Yamauchi; Yoshinori Takashima; Akihito Hashidzume; Hiroyasu Yamaguchi; Akira Harada","Switching between Supramolecular Dimer and Nonthreaded Supramolecular Self-Assembly of Stilbene Amide-α-Cyclodextrin by Photoirradiation","Journal of the American Chemical Society","2008","130","","5024","5025","10.1021/ja7113135","","","1.54187","CuKα","","","0.1193","","","","0.3416","","","","","","1.202","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107702","12.6737","0.0001","12.6737","0.0001","61.6213","0.0008","90","","90","","90","","9897.78","0.17","153.1","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- Cs8 O95.25 Si2 W20 Zr4 -","- Cs7.96 O97 Si2 W20 Zr4 -","- Cs31.84 O388 Si8 W80 Zr16 -","4","0.5","","Yuji Kikukawa; Syuhei Yamaguchi; Kazutaka Tsuchida; Yoshinao Nakagawa; Kazuhiro Uehara; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis and Catalysis of Di- and Tetranuclear Metal Sandwich-Type Silicotungstates [(γ-SiW10O36)2M2(μ-OH)2]10- and [(γ-SiW10O36)2M4(μ4-O)(μ-OH)6]8- (M = Zr or Hf)","Journal of the American Chemical Society","2008","130","","5472","5478","10.1021/ja078313i","","","0.71069","MoKα","","","0.0762","","","","0.2304","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107704","12.6813","0.0001","12.6813","0.0001","61.5483","0.0009","90","","90","","90","","9897.91","0.18","153.1","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- Cs8 Hf4 O97 Si2 W20 -","- Cs7.98 Hf4 O97 Si2 W20 -","- Cs31.92 Hf16 O388 Si8 W80 -","4","0.5","","Yuji Kikukawa; Syuhei Yamaguchi; Kazutaka Tsuchida; Yoshinao Nakagawa; Kazuhiro Uehara; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis and Catalysis of Di- and Tetranuclear Metal Sandwich-Type Silicotungstates [(γ-SiW10O36)2M2(μ-OH)2]10- and [(γ-SiW10O36)2M4(μ4-O)(μ-OH)6]8- (M = Zr or Hf)","Journal of the American Chemical Society","2008","130","","5472","5478","10.1021/ja078313i","","","0.71073","MoKα","","","0.0835","","","","0.2133","","","","","","1.064","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4108014","11.6316","0.0004","11.6316","0.0004","35.549","0.002","90","","90","","90","","4809.6","0.4","90","2","90","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","[Cp*2Mo2S3SMe]2","","","- C42 H66 Mo4 S8 -","- C42 H66 Mo4 S8 -","- C168 H264 Mo16 S32 -","4","0.5","","Aaron M. Appel; Suh-Jane Lee; James A. Franz; Daniel L. DuBois; M. Rakowski DuBois; Jerome C. Birnbaum; Brendan Twamley","Formation and Reactivity of a Persistent Radical in a Dinuclear Molybdenum Complex","Journal of the American Chemical Society","2008","130","","8940","8951","10.1021/ja078115r","","","0.71073","MoKα","","0.026","0.025","","","0.0608","0.0614","","","","","","1.059","","","","has coordinates,has disorder","178826","2020-10-21","18:00:00",""
"4108612","8.3693","0.0004","8.3693","0.0004","28.955","0.003","90","","90","","90","","2028.2","0.3","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C104 H96 N8 O8 -","4","0.5","","Kiran Kumar Solingapuram Sai; Matthew J. Tokarz; Andrew P. Malunchuk; Chong Zheng; Thomas M. Gilbert; Douglas A. Klumpp","N-Heterocyclic Superelectrophiles and Evidence for Single Electron Transfer Chemistry","Journal of the American Chemical Society","2008","130","","14388","14389","10.1021/ja8062953","","","0.71073","MoKα","","0.0344","0.0323","","","0.0762","0.0771","","","","","","1.182","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4109337","11.1813","0.0004","11.1813","0.0004","31.552","0.0013","90","","90","","90","","3944.7","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C34 H42 N4 Ni O14 -","- C34 H42 N4 Ni O14 -","- C136 H168 N16 Ni4 O56 -","4","0.5","","Zhuojia Lin; Alexandra M. Z. Slawin; Russell E. Morris","Chiral Induction in the Ionothermal Synthesis of a 3-D Coordination Polymer","Journal of the American Chemical Society","2007","129","","4880","4881","10.1021/ja070671y","","","0.71073","MoKα","","0.0275","0.0254","","","0.0617","0.0625","","","","","","1.068","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109899","20.423","0.002","20.423","0.002","13.688","0.003","90","","90","","90","","5709.3","1.5","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C32 H32 N3 O3.5 -","- C31 H28 N3 O2.5 -","- C248 H224 N24 O20 -","8","1","","Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson","Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles","Journal of the American Chemical Society","2007","129","","10986","10987","10.1021/ja073049e","","","0.71073","MoKα","","0.0617","0.046","","","0.0948","0.1006","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110769","18.186","0.007","18.186","0.007","11.706","0.006","90","","90","","90","","3872","3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C8 H24.1 N2 Ni2.5 O15.55 -","- C8 H11 N2 Ni2.5 O14.285 -","- C64 H88 N16 Ni20 O114.28 -","8","1","","Ekaterina V. Anokhina; Yong Bok Go; Yongjae Lee; Thomas Vogt; Allan J. Jacobson","Chiral Three-Dimensional Microporous Nickel Aspartate with Extended Ni-O-Ni Bonding","Journal of the American Chemical Society","2006","128","","9957","9962","10.1021/ja062743b","","","0.9223","","","0.1062","0.084","","","0.2188","0.2413","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110818","8.706","0.001","8.706","0.001","32.496","0.007","90","","90","","90","","2463","0.7","193","2","193","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Cp*2Co2(B6H14)","(Tetradecahydrohexaborato)bis(pentamethylcyclopentadienyl)dicobalt","","- C20 H44 B6 Co2 -","- C20 H44 B6 Co2 -","- C80 H176 B24 Co8 -","4","0.5","","Do Young Kim; Gregory S. Girolami","Synthesis and Characterization of the Octahydrotriborate Complexes Cp*V(B3H8)2 and Cp*Cr(B3H8)2 and the Unusual Cobaltaborane Cluster Cp*2Co2(B6H14)","Journal of the American Chemical Society","2006","128","","10969","10977","10.1021/ja063285+","","x-ray","0.71073","MoKα","","0.0661","0.0358","","","0.0575","0.0628","","","","","","0.911","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4112088","7.3568","0.0005","7.3568","0.0005","15.4671","0.001","90","","90","","90","","837.12","0.1","120","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- As2 B H K2 O8 -","- As2 B H K2 O8 -","- As8 B4 H4 K8 O32 -","4","0.5","","Seth B. Wiggin; Mark T. Weller","Boroarsenates: A Framework Motif and Family Templated on Cations and Anions","Journal of the American Chemical Society","2005","127","","17172","17173","10.1021/ja055262l","","","0.71073","MoKα","","","0.0542","","","","0.1556","","","","","","1.181","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112278","13.6002","0.0014","13.6002","0.0014","51.477","0.01","90","","90","","90","","9521","2","293","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C42 H49 Cl2 F12 O P2 Rh Sb2 -","- C42 H47 Cl2 F12 O P2 Rh Sb2 -","- C336 H376 Cl16 F96 O8 P16 Rh8 Sb16 -","8","1","","Daniel Carmona; M. Pilar Lamata; Fernando Viguri; Ricardo Rodríguez; Luis A. Oro; Ana I. Balana; Fernando J. Lahoz; Tomás Tejero; Pedro Merino; Santiago Franco; Isabel Montesa","The Complete Characterization of a Rhodium Lewis Acid-Dipolarophile Complex as an Intermediate for the Enantioselective Catalytic 1,3-Dipolar Cycloaddition of C,N-Diphenylnitrone to Methacrolein","Journal of the American Chemical Society","2004","126","","2716","2717","10.1021/ja031995z","","","0.71073","MoKα","","0.0528","0.0515","","","0.1152","0.1159","","","","","","1.335","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112384","16.242","0.0004","16.242","0.0003","33.5243","0.0008","90","","90","","90","","8843.8","0.3","161","","273.2","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C40 H31 B Cl2 F20 P2 W -","- C40 H31 B Cl2 F20 P2 W -","- C320 H248 B8 Cl16 F160 P16 W8 -","8","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0728","0.043","","0.0744","0.0498","0.0498","","","","","","1.153","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113109","15.699","0.002","15.699","0.002","16.214","0.003","90","","90","","90","","3996.1","1","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C44 H40 O4 -","- C44 H40 O4 -","- C176 H160 O16 -","4","0.5","","Vijay Gopalsamuthiram; William D. Wulff","A New Convergent Strategy for the Synthesis of Calixarenes via a Triple Annulation of Fischer Carbene Complexes","Journal of the American Chemical Society","2004","126","","13936","13937","10.1021/ja0454236","","","0.71073","MoKα","","0.4427","0.1882","","","0.3515","0.4135","","","","","","1.491","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113423","16.973","0.0016","16.973","0.0016","18.229","0.002","90","","90","","90","","5251.5","0.9","173","2","173","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C24 H33 Cl Cu N4 O5.5 S -","- C18 H9 Cl Cu N4 O4 S -","- C144 H72 Cl8 Cu8 N32 O32 S8 -","8","1","","Matthew E. Helton; Peng Chen; Partha P. Paul; Zoltán Tyeklár; Roger D. Sommer; Lev N. Zakharov; Arnold L. Rheingold; Edward I. Solomon; Kenneth D. Karlin","Reaction of Elemental Sulfur with a Copper(I) Complex Forming a trans-μ-1,2 End-On Disulfide Complex: New Directions in Copper-Sulfur Chemistry","Journal of the American Chemical Society","2003","125","","1160","1161","10.1021/ja027574j","","","0.71073","MoKα","","0.0859","0.072","","","0.1644","0.1709","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113749","38.098","0.005","38.098","0.005","9.47","0.0019","90","","90","","90","","13745","4","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C54 H67 N5 Ni O12 -","- C54 H45 N5 Ni O12 -","- C432 H360 N40 Ni8 O96 -","8","1","","Yong Cui; Suk Joong Lee; Wenbin Lin","Interlocked Chiral Nanotubes Assembled from Quintuple Helices","Journal of the American Chemical Society","2003","125","","6014","6015","10.1021/ja029926s","","","0.71073","MoKα","","0.1736","0.1077","","","0.2691","0.3109","","","","","","1.045","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113785","15.515","0.002","15.515","0.002","25.44","0.005","90","","90","","90","","6123.8","1.6","203","2","203","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C0.5 H34 K10 Mn4 O16.5 Se17 Sn4 -","- C0.5 K10 Mn4 O16.5 Se17 Sn4 -","- C2 K40 Mn16 O66 Se68 Sn16 -","4","0.5","","Stefanie Dehnen; Michael K. Brandmayer","Reactivity of Chalcogenostannate Compounds: Syntheses, Crystal Structures, and Electronic Properties of Novel Compounds Containing Discrete Ternary Anions [MII4(μ4-Se)(SnSe4)4]10- (MII = Zn, Mn)","Journal of the American Chemical Society","2003","125","","6618","6619","10.1021/ja029601b","","","0.56087","AgKα","","0.0868","0.0614","","","0.1493","0.1617","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114767","8.8016","0.0005","8.8016","0.0005","46.695","0.004","90","","90","","90","","3617.4","0.4","183","2","183","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C21 H16 Br N O -","- C21 H16 Br N O -","- C168 H128 Br8 N8 O8 -","8","1","","Michael M.-C. Lo; Gregory C. Fu","Cu(I)/Bis(azaferrocene)-Catalyzed Enantioselective Synthesis of β-Lactams via Couplings of Alkynes with Nitrones","Journal of the American Chemical Society","2002","124","","4572","4573","10.1021/ja025833z","","","0.71073","MoKα","","0.0417","0.0342","","","0.0718","0.0744","","","","","","1.04","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4114782","16.332","0.002","16.332","","24.696","0.005","90","","90","","90","","6587.3","1.6","296.2","","296.2","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H30 Ir2 Mo2 O10 -","- C30 H30 Ir2 Mo2 O10 -","- C240 H240 Ir16 Mo16 O80 -","8","1","","Nigel T. Lucas; Jonathan P. Blitz; Simon Petrie; Robert Stranger; Mark G. Humphrey; Graham A. Heath; Vincent Otieno-Alego","Mixed-Metal Cluster Chemistry. 19. Crystallographic, Spectroscopic, Electrochemical, Spectroelectrochemical, and Theoretical Studies of Systematically Varied Tetrahedral Group 6-Iridium Clusters","Journal of the American Chemical Society","2002","124","","5139","5153","10.1021/ja0173829","","","0.7107","MoKα","","0.0494","0.0332","","0.0358","","0.0341","","","1.519","","","1.594","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114888","9.4709","0.0006","9.4709","0.0006","33.6977","0.0016","90","","90","","90","","3022.6","0.3","100","","100","","","","","","","","see paper","4","P 41 21 2","P 4abw 2nw","92","Herbarumin II","2,7,8-trihydroxy-5-dodecen-9-olide","","- C12.5 H20.5 Cl1.5 O5 -","- C12.52 H13 Cl1.5 O5 -","- C100.16 H104 Cl12 O40 -","8","1","","Alois Fürstner; Karin Radkowski; Conny Wirtz; Richard Goddard; Christian W. Lehmann; Richard Mynott","Total Syntheses of the Phytotoxic Lactones Herbarumin I and II and a Synthesis-Based Solution of the Pinolidoxin Puzzle","Journal of the American Chemical Society","2002","124","","7061","7069","10.1021/ja020238i","","","0.71073","MoKα","","0.119","0.0888","","","0.1996","0.2176","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114933","9.416","0.002","9.416","0.002","51.331","0.014","90","","90","","90","","4551.1","1.8","213","2","213","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C25 H33 N O4 -","- C25 H33 N O4 -","- C200 H264 N8 O32 -","8","1","","Thorsten Bach; Hermann Bergmann; Benjamin Grosch; Klaus Harms","Highly Enantioselective Intra- and Intermolecular [2 + 2] Photocycloaddition Reactions of 2-Quinolones Mediated by a Chiral Lactam Host: Host-Guest Interactions, Product Configuration, and the Origin of the Stereoselectivity in Solution","Journal of the American Chemical Society","2002","124","","7982","7990","10.1021/ja0122288","","","1.54178","CuKα","","0.0933","0.0628","","","0.1625","0.1863","","","","","","1.035","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4115171","28.918","0.007","28.918","0.007","30.428","0.011","90","","90","","90","","25445","13","113","2","113","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C172 H224 Fe4 N48 O80 Pd6 -","- C172 Fe4 N42 O105 Pd6 -","- C688 Fe16 N168 O420 Pd24 -","4","0.5","","Wei-Yin Sun; Takahiro Kusukawa; Makoto Fujita","Electrochemically Driven Clathration/Declathration of Ferrocene and Its Derivatives by a Nanometer-Sized Coordination Cage","Journal of the American Chemical Society","2002","124","","11570","11571","10.1021/ja0206285","","","0.71073","MoKα","","0.1443","0.113","","","0.2739","0.3007","","","","","","2.185","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115558","12.7198","0.0002","12.7198","0.0002","34.1068","0.0002","90","","90","","90","","5518.25","0.13","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H28 Cl2 N2 Si Zr -","- C30 H28 Cl2 N2 Si Zr -","- C240 H224 Cl16 N16 Si8 Zr8 -","8","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.0404","0.0374","","","0.128","0.1323","","","","","","1.135","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115632","11.196","0.0008","11.196","0.0008","72.929","0.0018","90","","90","","90","","9141.7","1","150","1","150","1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","RuHCl(R-binap)(tmen)","","","- C50 H49 Cl N2 P2 Ru -","- C50 H49 Cl N2 P2 Ru -","- C400 H392 Cl8 N16 P16 Ru8 -","8","1","","Kamaluddin Abdur-Rashid; Michael Faatz; Alan J. Lough; Robert H. Morris","Catalytic Cycle for the Asymmetric Hydrogenation of Prochiral Ketones to Chiral Alcohols: Direct Hydride and Proton Transfer from Chiral Catalysts trans-Ru(H)2(diphosphine)(diamine) to Ketones and Direct Addition of Dihydrogen to the Resulting Hydridoamido Complexes","Journal of the American Chemical Society","2001","123","","7473","7474","10.1021/ja015902u","","","0.7107","MoKα","","0.0879","0.0808","","","0.1749","0.1777","","","","","","1.219","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115638","20.1716","0.0005","20.1716","0.0005","41.23","0.0017","90","","90","","90","","16776.2","0.9","298","2","298","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C61 H56 F24 Mn2 N4 O12 -","- C61 H56 F24 Mn2 N4 O12 -","- C488 H448 F192 Mn16 N32 O96 -","8","1","","Fabrice Mathevet; Dominique Luneau","Interpenetrated 3D Polymeric Metal-Radical Networks Built from a Tetranitroxide Radical and Bis(hexafluoroacethylacetonato) Manganese(II)","Journal of the American Chemical Society","2001","123","","7465","7466","10.1021/ja016133h","","","0.71073","MoKα","","0.2469","0.0761","","","0.2138","0.2495","","","","","","0.98","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115746","12.3804","0.0007","12.3804","0.0007","46.505","0.002","90","","90","","90","","7128","0.6","123.2","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H26 Cl2 N12 O9 Zn -","- C30 H26 Cl2 N12 O9 Zn -","- C240 H208 Cl16 N96 O72 Zn8 -","8","1","","Masaaki Sasa; Kentaro Tanaka; Xian-He Bu; Motoo Shiro; Mitsuhiko Shionoya","Spontaneously Resolved Chiral Interpenetrating 3-D Nets with Two Different Zinc Coordination Polymers","Journal of the American Chemical Society","2001","123","","10750","10751","10.1021/ja0116324","","","0.7107","MoKα","","","0.069","","","","0.1683","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117406","10.2728","0.0002","10.2728","0.0002","28.3123","0.0012","90","","90","","90","","2987.81","0.15","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- In La4 S9 Sb -","- In La4 S9 Sb -","- In8 La32 S72 Sb8 -","8","1","","Hua-Jun Zhao; Yong-Fan Zhang; Ling Chen","Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9","Journal of the American Chemical Society","2012","134","","1993","1995","10.1021/ja2109008","","","0.71073","MoKα","","0.0222","0.0214","","","0.0351","0.0353","","","","","","1.207","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4118556","13.8499","0.0003","13.8499","0.0003","40.504","0.0007","90","","90","","90","","7769.5","0.3","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C88 H80 B4 O12 -","- C88 H80 B4 O12 -","- C352 H320 B16 O48 -","4","0.5","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.0978","0.0852","","","0.2338","0.2564","","","","","","1.096","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118557","13.9058","0.0006","13.9058","0.0006","41.035","0.002","90","","90","","90","","7935","0.6","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C90 H100 B4 O12 -","- C90 H100 B4 O12 -","- C360 H400 B16 O48 -","4","0.5","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.0696","0.0661","","","0.1949","0.2009","","","","","","1.038","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4119352","43.1549","0.0006","43.1549","0.0006","54.1365","0.0011","90","","90","","90","","100821","3","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C472 H505 Cl20 Fe10 N75 O89 -","- C394 H336 Cl12.5 Fe10 N62 O46 -","- C3152 H2688 Cl100 Fe80 N496 O368 -","8","1","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","1.5418","CuKα","","0.1651","0.1035","","","0.2491","0.2918","","","","","","0.931","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119517","11.949","","11.949","","18.656","","90","","90","","90","","2663.68","","213","2","213","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C88 H160 N32 O16 -","- C88 H160 N32 O16 -","- C88 H160 N32 O16 -","1","0.125","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","1.54178","CuKα","","0.0909","0.0594","","","0.1368","0.1695","","","","","","1.042","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4120015","11.3498","0.0006","11.3498","0.0006","31.8364","0.0017","90","","90","","90","","4101.1","0.4","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Ta-complex","Ta-complex, AK-750","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C152 H280 N32 Ta8 -","4","0.5","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0145","0.0139","","","0.0312","0.0314","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4121912","10.984","0.0008","10.984","0.0008","52.464","0.004","90","","90","","90","","6329.7","0.8","100","","100","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C61 H67 F6 Fe N5 O11 S4 -","- C61 H67 F6 Fe N5 O11 S4 -","- C244 H268 F24 Fe4 N20 O44 S16 -","4","0.5","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0411","0.0395","","","0.0976","0.0985","","","","","","1.186","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4122173","11.3498","0.0006","11.3498","0.0006","31.8364","0.0017","90","","90","","90","","4101.1","0.4","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","cmpd_cis_3c","cmpd_cis_3c","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C152 H280 N32 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0145","0.0139","","","0.0312","0.0314","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4123245","12.9021","0.0001","12.9021","0.0001","67.9669","0.001","90","","90","","90","","11314.1","0.2","150","","150","","","","","","","","S10, CRL, Uni Oxford","7","P 41 21 2","P 4abw 2nw","92","","[Rh(dippp)DCE][BArF4]","","- C49 H50 B Cl2 F24 P2 Rh -","- C49 H50 B Cl2 F23.9997 P2 Rh -","- C392 H400 B8 Cl16 F191.998 P16 Rh8 -","8","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.1317","0.1153","","0.2697","0.26","0.2697","","","","","","1.1427","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123694","9.5606","0.0014","9.5606","0.0014","37.597","0.008","90","","90","","90","","3436.6","1","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H25 B N O3.5 -","- C16 H25 B N O3.5 -","- C128 H200 B8 N8 O28 -","8","1","","Hu, Naifu; Zhao, Guoqing; Zhang, Yuanyuan; Liu, Xiangqian; Li, Guangyu; Tang, Wenjun","Synthesis of Chiral α-Amino Tertiary Boronic Esters by Enantioselective Hydroboration of α-Arylenamides.","Journal of the American Chemical Society","2015","137","21","6746","6749","10.1021/jacs.5b03760","","","1.54178","CuKα","","0.0465","0.0457","","","0.1361","0.1375","","","","","","1.084","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123855","11.0292","0.0014","11.0292","0.0014","40.254","0.005","90","","90","","90","","4896.6","1.1","93.1","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C52 H48 F12 N6 O P2 Ru -","- C52 H49 F12 N6 O P2 Ru -","- C208 H196 F48 N24 O4 P8 Ru4 -","4","0.5","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.0443","","","","0.0584","","","","","","1.009","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123979","7.49","","7.49","","13.24","","90","","90","","90","","742.765","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","U (B H4)4","","- B4 H16 U -","- B4 U -","- B16 U4 -","4","0.5","","Bernstein, E.R.; Keiderling, T.A.; Lippard, S.J.; Mayerle, J.J.","Structure of uranium borohydride by single-crystal X-Ray diffraction","Journal of the American Chemical Society","1972","94","","2552","2553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4125396","11.047","0.007","11.047","0.007","42.43","0.03","90","","90","","90","","5178","6","296","2","296","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C27 H27 B Cl Ir N3 Si -","- C27 H27 B Cl Ir N3 Si -","- C216 H216 B8 Cl8 Ir8 N24 Si8 -","8","1","","Wang, Guanghui; Liu, Li; Wang, Hong; Ding, You-Song; Zhou, Jing; Mao, Shuai; Li, Pengfei","N,B-Bidentate Boryl Ligand-Supported Iridium Catalyst for Efficient Functional-Group-Directed C-H Borylation.","Journal of the American Chemical Society","2017","139","1","91","94","10.1021/jacs.6b11867","","","0.71073","MoKα","","0.0243","0.0236","","","0.0492","0.0495","","","","","","1.287","","","","has coordinates","193470","2020-10-21","18:00:00",""
"4125906","8.2974","0.0001","8.2974","0.0001","62.6514","0.0012","90","","90","","90","","4313.35","0.11","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C52 H48 O4 P2 -","- C52 H48 O4 P2 -","- C208 H192 O16 P8 -","4","0.5","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","1.54178","CuKα","","0.0535","0.0419","","","0.1006","0.1086","","","","","","1.034","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4126339","23.985","0.003","23.985","0.003","89.175","0.018","90","","90","","90","","51301","14","100","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C96 H239 Br12 K2 O180.5 P2 Ta6 W18 -","- C96 H160 Br12 K1.5 O148 P2 Ta6 W18 -","- C768 H1280 Br96 K12 O1184 P16 Ta48 W144 -","8","1","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.72931","synchrotron","","0.1561","0.1025","","","0.2349","0.2802","","","","","","1.012","","","","has coordinates,has disorder","200094","2020-10-21","18:00:00",""
"4126517","19.95431","0.00013","19.95431","0.00013","18.5098","0.0002","90","","90","","90","","7370.13","0.1","100","0.1","100","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H49 Ga N2 P4 -","- C36 H49 Ga N2 P4 -","- C288 H392 Ga8 N16 P32 -","8","1","","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","","0.0314","0.0301","","","0.0789","0.08","","","","","","1.025","","","","has coordinates,has disorder","201608","2020-10-21","18:00:00",""
"4128618","30.2467","0.0004","30.2467","0.0004","40.3458","0.0009","90","","90","","90","","36910.9","1.1","100.01","0.1","100.01","0.1","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","neiti17","","","- C108 H104 Br0.55 Cl1.45 Fe2 Mg N8 O4 P4 -","- C108 H104 Br0.554 Cl1.446 Fe2 Mg N8 O4 P4 -","- C864 H832 Br4.432 Cl11.568 Fe16 Mg8 N64 O32 P32 -","8","1","","Boddie, Theresa E.; Carpenter, Stephanie H.; Baker, Tessa M.; DeMuth, Joshua C.; Cera, Gianpiero; Brennessel, William W.; Ackermann, Lutz; Neidig, Michael L.","Identification and Reactivity of Cyclometalated Iron(II) Intermediates in Triazole-Directed Iron-Catalyzed C-H Activation.","Journal of the American Chemical Society","2019","141","31","12338","12345","10.1021/jacs.9b05269","","x-ray","1.54184","CuKα","","0.0925","0.0587","","","0.15","0.1745","","","","","","1.033","","","","has coordinates,has disorder","221699","2020-10-21","18:00:00",""
"4129040","8.7471","0.0001","8.7471","0.0001","32.7688","0.0014","90","","90","","90","","2507.2","0.11","180","0.1","180","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C104 H104 N8 O24 S8 -","8","1","","Yuan, Jingsong; Xiong, Wei; Zhou, Xuhao; Zhang, Yi; Shi, Dong; Li, Zichen; Lu, Hua","4-Hydroxyproline-Derived Sustainable Polythioesters: Controlled Ring-Opening Polymerization, Complete Recyclability, and Facile Functionalization.","Journal of the American Chemical Society","2019","141","12","4928","4935","10.1021/jacs.9b00031","","","0.71073","MoKα","","0.0355","0.0312","","","0.0791","0.081","","","","","","1.052","","","","has coordinates","222047","2020-10-21","18:00:00",""
"4129211","8.9596","0.0002","8.9596","0.0002","38.488","0.0011","90","","90","","90","","3089.6","0.13","180","2","180","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C15 H16 Br N3 O -","- C15 H16 Br N3 O -","- C120 H128 Br8 N24 O8 -","8","1","","Reid, Jolene P.; Proctor, Rupert S. J.; Sigman, Matthew S.; Phipps, Robert J.","Predictive Multivariate Linear Regression Analysis Guides Successful Catalytic Enantioselective Minisci Reactions of Diazines.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11658","","","1.54178","CuKα","","0.0381","0.0304","","","0.0603","0.0629","","","","","","1.028","","","","has coordinates","231174","2020-10-21","18:00:00",""
"4129346","9.3843","0.0002","9.3843","0.0002","51.04","0.002","90","","90","","90","","4494.8","0.2","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C32 H76 Li2 N2 O6 Si4 -","- C32 H76 Li2 N2 O6 Si4 -","- C128 H304 Li8 N8 O24 Si16 -","4","0.5","","Bauer, Jonathan O.; Strohmann, Carsten","Stereocontrol in nucleophilic substitution reactions at silicon: the role of permutation in generating silicon-centered chirality.","Journal of the American Chemical Society","2015","137","13","4304","4307","10.1021/jacs.5b00861","","","0.71073","MoKα","","0.0493","0.0443","","","0.1041","0.1067","","","","","","1","","","","has coordinates","240081","2020-10-21","18:00:00",""
"4130138","16.2377","0.0003","16.2377","0.0003","36.5045","0.0007","90","","90","","90","","9624.9","0.3","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C50 H37 B F15 N3 O Re -","- C46.5 H33 B F15 N3 O Re -","- C372 H264 B8 F120 N24 O8 Re8 -","8","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Transition-Metal Oxos as the Lewis Basic Component of Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","14","4832","4842","10.1021/jacs.6b00705","","","0.71073","MoKα","","0.033","0.0299","","","0.0683","0.0695","","","","","","1.103","","","","has coordinates,has disorder","240698","2020-10-21","18:00:00",""
"4130938","9.591","0.0002","9.591","0.0002","43.0251","0.0013","90","","90","","90","","3957.76","0.17","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C22.5 H17 Br Cl N2 -","- C22.5 H17 Br Cl N2 -","- C180 H136 Br8 Cl8 N16 -","8","1","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","1.54178","CuKα","","0.0294","0.0294","","","0.11","0.11","","","","","","1.021","","","","has coordinates,has disorder","241270","2020-10-21","18:00:00",""
"4131094","15.7617","0.0003","15.7617","0.0003","23.1201","0.0005","90","","90","","90","","5743.8","0.2","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C54 H66 Cl F12 N7 O2 S2 -","- C54 H66 Cl F12 N7 O2 S2 -","- C216 H264 Cl4 F48 N28 O8 S8 -","4","0.5","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0667","0.0571","","","0.1431","0.1531","","","","","","1.069","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131176","24.5299","0.0016","24.5299","0.0016","16.0593","0.0011","90","","90","","90","","9663.1","1.1","173","2","173.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C46 H48 Cl2 N10 O10 Zn2 -","- C46 H48 Cl2 N10 O10 Zn2 -","- C368 H384 Cl16 N80 O80 Zn16 -","8","1","","Pramanik, Susnata; Aprahamian, Ivan","Hydrazone Switch-Based Negative Feedback Loop.","Journal of the American Chemical Society","2016","138","46","15142","15145","10.1021/jacs.6b10542","","","0.71073","MoKα","","0.0907","0.0524","","","0.1152","0.1356","","","","","","1.025","","","","has coordinates","241452","2020-10-21","18:00:00",""
"4131304","11.833","0.0015","11.833","0.0015","24.665","0.004","90","","90","","90","","3453.6","0.8","113","","113","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C17 H21 O7 -","- C17 H20 O7 -","- C136 H160 O56 -","8","1","","Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu","Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.","Journal of the American Chemical Society","2017","139","31","10693","10701","10.1021/jacs.7b03867","","","0.7107","MoKα","","","0.0369","","","","0.1135","","","","","","1.105","","","","has coordinates","241537","2020-10-21","18:00:00",""
"4131881","17.0979","0.0005","17.0979","0.0005","28.8128","0.0011","90","","90","","90","","8423.1","0.5","100","2","99.99","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C123 H166 Cl7 N33 O30 S7 -","- C123 H166 Cl7 N33 O30 S7 -","- C246 H332 Cl14 N66 O60 S14 -","2","0.25","","Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng","Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper.","Journal of the American Chemical Society","2018","140","17","5661","5665","10.1021/jacs.7b11997","","","1.54178","CuKα","","0.1558","0.1106","","","0.3013","0.3544","","","","","","1.094","","","","has coordinates,has disorder","241975","2020-10-21","18:00:00",""
"4132496","28.3931","0.0003","28.3931","0.0003","84.817","0.003","90","","90","","90","","68377","3","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C174 H211 Br6 N33 O32 Zn3 -","- C174 H201 Br6 N33 O32 Zn3 -","- C1392 H1608 Br48 N264 O256 Zn24 -","8","1","","Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto","Synthetic β-Barrel by Metal-Induced Folding and Assembly.","Journal of the American Chemical Society","2018","140","28","8644","8647","10.1021/jacs.8b04284","","","1","Synchrotron","","0.3104","0.2404","","","0.5093","0.5531","","","","","","1.61","","","","has coordinates,has disorder","242469","2020-10-21","18:00:00",""
"4132497","28.3964","0.0003","28.3964","0.0003","84.3978","0.0018","90","","90","","90","","68054.6","1.8","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C174 H201.88 Cl6 N33 O30.5 Zn3 -","- C174 H201 Cl6 N33 O30.5 Zn3 -","- C1392 H1608 Cl48 N264 O244 Zn24 -","8","1","","Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto","Synthetic β-Barrel by Metal-Induced Folding and Assembly.","Journal of the American Chemical Society","2018","140","28","8644","8647","10.1021/jacs.8b04284","","","1","Synchrotron","","0.3474","0.2744","","","0.5541","0.5938","","","","","","1.951","","","","has coordinates","242470","2020-10-21","18:00:00",""
"4132498","28.4415","0.0003","28.4415","0.0003","85.872","0.002","90","","90","","90","","69463.5","1.9","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C174 H202 I6 N33 O31 Zn3 -","- C174 H201 I6 N33 O31 Zn3 -","- C1392 H1608 I48 N264 O248 Zn24 -","8","1","","Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto","Synthetic β-Barrel by Metal-Induced Folding and Assembly.","Journal of the American Chemical Society","2018","140","28","8644","8647","10.1021/jacs.8b04284","","","1","Synchrotron","","0.257","0.1957","","","0.4512","0.4922","","","","","","1.564","","","","has coordinates,has disorder","242471","2020-10-21","18:00:00",""
"4133392","9.5716","0.0004","9.5716","0.0004","64.226","0.003","90","","90","","90","","5884.1","0.4","200","1","200","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H31 Ge N O2 -","- C36 H31 Ge N O2 -","- C288 H248 Ge8 N8 O16 -","8","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","1.54178","CuKα","","0.0318","0.0307","","","0.0773","0.078","","","","","","1.065","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133801","14.4418","0.0001","14.4418","0.0001","40.013","0.0008","90","","90","","90","","8345.33","0.19","180","0.1","180","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C44 H58 F2 O7 Si -","- C44 H58 F2 O7 Si -","- C352 H464 F16 O56 Si8 -","8","1","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","","0.71073","MoKα","","0.0884","0.0675","","","0.179","0.1928","","","","","","1.035","","","","has coordinates,has disorder","245285","2020-10-21","18:00:00",""
"4300629","13.564","0.0003","13.564","0.0003","17.015","0.0004","90","","90","","90","","3130.46","0.12","173","2","173","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C160 H112 O32 -","8","1","","Dickie, Diane A.; Schatte, Gabriele; Jennings, Michael C.; Jenkins, Hilary A.; Khoo, Sarah Y. L.; Clyburne, Jason A. C.","Structure of Organic and Metal-Organic Networks Based on a Bifunctionalm-Terphenyl Carboxylic Acid","Inorganic Chemistry","2006","45","4","1646","1655","10.1021/ic051690g","","","","","","","","","","","","","","","","","","","","","has coordinates","198546","2020-10-21","18:00:00",""
"4301914","13.3505","0.0004","13.3505","0.0004","14.7128","0.0004","90","","90","","90","","2622.35","0.13","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Manganese dilapacholate","Bis-(2-hydroxy-3-(3-methyl-2-butenyl)- 1,4-naphtoquinonate)manganese(II)","","- C30 H26 Mn O6 -","- C30 H26 Mn O6 -","- C120 H104 Mn4 O24 -","4","0.5","","Francesco Caruso; Miguel A. Martínez; Miriam Rossi; Alexander Goldberg; M. Elizabeth Chacón Villalba; Pedro J. Aymonino","Crystal and Molecular Structure of Manganese(II) Lapacholate, a Novel Polymeric Species Undergoing Temperature-Reversible Metal to Ligand Electron Transfer","Inorganic Chemistry","2009","48","","3529","3534","10.1021/ic8015194","","","0.71073","MoKα","","0.0333","0.0275","","","0.0711","0.0753","","","","","","1.081","","","","has coordinates","201211","2020-10-21","18:00:00",""
"4301915","13.2925","0.0004","13.2925","0.0004","14.6653","0.0004","90","","90","","90","","2591.22","0.13","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Manganese dilapacholate","Bis-(2-hydroxy-3-(3-methyl-2-butenyl)- 1,4-naphtoquinonate)manganese(II)","","- C30 H26 Mn O6 -","- C30 H26 Mn O6 -","- C120 H104 Mn4 O24 -","4","0.5","","Francesco Caruso; Miguel A. Martínez; Miriam Rossi; Alexander Goldberg; M. Elizabeth Chacón Villalba; Pedro J. Aymonino","Crystal and Molecular Structure of Manganese(II) Lapacholate, a Novel Polymeric Species Undergoing Temperature-Reversible Metal to Ligand Electron Transfer","Inorganic Chemistry","2009","48","","3529","3534","10.1021/ic8015194","","","0.71073","MoKα","","0.0272","0.0249","","","0.0654","0.0669","","","","","","1.077","","","","has coordinates","201211","2020-10-21","18:00:00",""
"4301916","13.2486","0.0001","13.2486","0.0001","14.6401","0.0001","90","","90","","90","","2569.71","0.03","125","2","125","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Manganese dilapacholate","Bis-(2-hydroxy-3-(3-methyl-2-butenyl)- 1,4-naphtoquinonate)manganese(II)","","- C30 H26 Mn O6 -","- C30 H26 Mn O6 -","- C120 H104 Mn4 O24 -","4","0.5","","Francesco Caruso; Miguel A. Martínez; Miriam Rossi; Alexander Goldberg; M. Elizabeth Chacón Villalba; Pedro J. Aymonino","Crystal and Molecular Structure of Manganese(II) Lapacholate, a Novel Polymeric Species Undergoing Temperature-Reversible Metal to Ligand Electron Transfer","Inorganic Chemistry","2009","48","","3529","3534","10.1021/ic8015194","","","0.71073","MoKα","","0.0311","0.0278","","","0.0708","0.073","","","","","","1.031","","","","has coordinates","201211","2020-10-21","18:00:00",""
"4301960","13.6286","0.0001","13.6286","0.0001","24.8038","0.0003","90","","90","","90","","4607.03","0.07","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C18 H44 Cl6 O12 P2 S2 Sn3 -","- C18 H44 Cl6 O12 P2 S2 Sn3 -","- C72 H176 Cl24 O48 P8 S8 Sn12 -","4","0.5","","Ravi Shankar; Archana Jain; Atul Pratap Singh; Gabriele Kociok-Köhn; Kieran C. Molloy","Facile Synthesis of Novel Two- And Three-Dimensional Coordination Polymers Containing Dialkyltin Phosphonate-Based Tri/Tetra-Nuclear Clusters with Appended Sulfonate Groups","Inorganic Chemistry","2009","48","","3608","3616","10.1021/ic802160a","","","0.71073","MoKα","","0.043","0.0331","","","0.0759","0.0801","","","","","","1.09","","","","has coordinates,has disorder","179057","2020-10-21","18:00:00",""
"4302464","16.0978","0.0008","16.0978","0.0008","13.5668","0.001","90","","90","","90","","3515.7","0.4","150","2","150","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C32 H47 Cl N4 Ni2 O11 -","- C32 H47 Cl N4 Ni2 O11 -","- C128 H188 Cl4 N16 Ni8 O44 -","4","0.5","","Pampa Mukherjee; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh","The Crucial Role of Polyatomic Anions in Molecular Architecture: Structural And Magnetic Versatility of Five Nickel(II) Complexes Derived from A N,N,O-Donor Schiff Base Ligand","Inorganic Chemistry","2009","48","","5848","5860","10.1021/ic9001863","","","0.71073","MoKα","","0.0931","0.0572","","","0.1355","0.152","","","","","","0.802","","","","has coordinates","179062","2020-10-21","18:00:00",""
"4305005","8.6173","0.0006","8.6173","0.0006","37.986","0.005","90","","90","","90","","2820.8","0.5","298","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H18 Cu3 N8 O8 -","- C30 H18 Cu3 N8 O8 -","- C120 H72 Cu12 N32 O32 -","4","0.5","","Feng-Qin Wang; Wei-Hua Mu; Xiang-Jun Zheng; Li-Cun Li; De-Cai Fang; Lin-Pei Jin","Hydrothermal Reaction of Cu(II)/Pyrazine-2,3,5-tricarboxylic acid and Characterization of the Copper(II) Complexes","Inorganic Chemistry","2008","47","","5225","5233","10.1021/ic8001916","","","0.71073","MoKα","","0.0446","0.037","","","0.0822","0.0849","","","","","","1.073","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305198","12.0818","0.0004","12.0818","0.0004","37.624","0.002","90","","90","","90","","5492","0.4","","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","?","- C320 H384 Cu4 N24 O56 -","- C320 H384 Cu4 N24 O56 -","","","","Björn Bräuer; Florian Weigend; Maria Fittipaldi; Dante Gatteschi; Edward J. Reijerse; Annalisa Guerri; Samuele Ciattini; Georgeta Salvan; Tobias Rüffer","Electron Paramagnetic Resonance and Density-Functional Theory Studies of Cu(II)-bis(oxamato) Complexes","Inorganic Chemistry","2008","47","","6633","6644","10.1021/ic702460t","","","","","","","","","","","","","","","","","","","","","has coordinates","179089","2020-10-21","18:00:00",""
"4305335","13.633","0.003","13.633","0.003","21.512","0.009","90","","90","","90","","3998","2","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C36 H60 Cu N10 -","- C36 H60 Cu N10 -","- C144 H240 Cu4 N40 -","4","0.5","","Meisu Zhou; Yanping Song; Tao Gong; Hongbo Tong; Jianping Guo; Linhong Weng; Diansheng Liu","Synthesis and Structures of Selected Triazapentadienate of Li, Mn, Fe, Co, Ni, Cu(I), and Cu(II) using 2,4-N,N'-Disubstituted 1,3,5-Triazapentadienate Anions as Ancillary Ligands: [N(Ar)C(NMe2)NC(NMe2)N(R)]- (Ar = Ph, 2,6-iPr2-C6H3; R = H, SiMe3)","Inorganic Chemistry","2008","47","","6692","6700","10.1021/ic800320e","","","0.71073","MoKα","","0.0457","0.0431","","","0.1033","0.1048","","","","","","1.095","","","","has coordinates","179091","2020-10-21","18:00:00",""
"4306908","11.705","0.001","11.705","0.001","64.778","0.005","90","","90","","90","","8875","1.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C45 H54 Au Cl2 S4 -","- C45 H54 Au Cl2 S4 -","- C360 H432 Au8 Cl16 S32 -","8","1","","Swarnalatha Kokatam; Kallol Ray; Joseph Pap; Eckhard Bill; William E. Geiger; Robert J. LeSuer; Philip H. Rieger; Thomas Weyhermüller; Frank Neese; Karl Wieghardt","Molecular and Electronic Structure of Square-Planar Gold Complexes Containing Two 1,2-Di(4-tert-butylphenyl)ethylene-1,2-dithiolato Ligands: [Au(2L)2]1+/0/1-/2-. A Combined Experimental and Computational Study","Inorganic Chemistry","2007","46","","1100","1111","10.1021/ic061181u","","","0.71073","MoKα","","0.1641","0.0746","","","0.0971","0.1196","","","","","","1.029","","","","has coordinates,has disorder","179107","2020-10-21","18:00:00",""
"4306948","11.4967","0.001","11.4967","0.001","18.224","0.004","90","","90","","90","","2408.7","0.6","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C12 H8 Cu N5 -","- C12 H8 Cu N5 -","- C96 H64 Cu8 N40 -","8","1","","Lin Cheng; Wei-Xiong Zhang; Bao-Hui Ye; Jian-Bin Lin; Xiao-Ming Chen","In Situ Solvothermal Generation of 1,2,4-Triazolates and Related Compounds from Organonitrile and Hydrazine Hydrate: A Mechanism Study","Inorganic Chemistry","2007","46","","1135","1143","10.1021/ic061303i","","","0.71073","MoKα","","0.1012","0.0673","","","0.127","0.1395","","","","","","1.079","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4306990","12.0023","0.001","12.0023","0.001","26.132","0.004","90","","90","","90","","3764.5","0.7","100","0.1","100","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","eisaa03","","","- C45 H32 I Ir O P2 -","- C45 H32 I Ir O P2 -","- C180 H128 I4 Ir4 O4 P8 -","4","0.5","","Abdurrahman Ç. Atesin; Simon B. Duckett; Christine Flaschenriem; William W. Brennessel; Richard Eisenberg","Diastereoselective Oxidative Addition of Dihydrogen to IrI(CO)((R)-BINAP) and [Ir(CO)2((R)-BINAP)][SbF6]","Inorganic Chemistry","2007","46","","1196","1204","10.1021/ic061471a","","","0.71073","MoKα","","0.0729","0.0353","","","0.0598","0.0689","","","","","","1.01","","","","has coordinates,has disorder","179107","2020-10-21","18:00:00",""
"4307006","11.9425","0.0017","11.9425","0.0017","33.669","0.007","90","","90","","90","","4802","1.4","253","2","253","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C44 H44 Cl2 N8 O12 Ru S -","- C44 H38 Cl2 N8 O12 Ru S -","- C176 H152 Cl8 N32 O48 Ru4 S4 -","4","0.5","","Mei-Jin Li; Ben Wai-Kin Chu; Nianyong Zhu; Vivian Wing-Wah Yam","Synthesis, Structure, Photophysics, Electrochemistry, and Ion-Binding Studies of Ruthenium(II) 1,10-Phenanthroline Complexes Containing Thia-, Selena-, and Aza-Crown Pendants","Inorganic Chemistry","2007","46","","720","733","10.1021/ic061507z","","","0.71073","MoKα","","0.1227","0.0731","","","0.2003","0.2192","","","","","","0.906","","","","has coordinates","179108","2020-10-21","18:00:00",""
"4307327","12.2302","0.0015","12.2302","0.0015","24.401","0.005","90","","90","","90","","3649.8","1","293","2","293","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C7 H21.5 Br3.5 Cd Co N5 O2 S -","- C7 H21.5 Br3.5 Cd Co N5 O2 S -","- C56 H172 Br28 Cd8 Co8 N40 O16 S8 -","8","1","","Takashi Aridomi; Tatsuya Kawamoto; Takumi Konno","Controlled Binding of al-Cysteinato Cobalt(III) Octahedron to a Cadmium(II) Center","Inorganic Chemistry","2007","46","","1343","1353","10.1021/ic061868e","","","0.71069","MoKα","","0.1227","0.0428","","","0.1016","0.1251","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307376","16.612","0.001","16.612","0.001","20.53","0.002","90","","90","","90","","5665.4","0.7","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","μ-Diiodo-μ-(bis(bis(o-methoxyphenoxy)phosphino)phenylamine) bis(pyridine)dicopper(I) Water solvate","","- C44 H47 Cu2 I2 N3 O10 P2 -","- C44 H43 Cu2 I2 N3 O10 P2 -","- C176 H172 Cu8 I8 N12 O40 P8 -","4","0.5","","Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Paulose P. George; Joel T. Mague","Di- and Tetranuclear Copper(I) Complexes Containing Phenylaminobis(phosphonite), PhN{P(OC6H4OMe-o)2}2, and Their Reactivity toward Bipyridyl Ligands","Inorganic Chemistry","2007","46","","848","858","10.1021/ic061883j","","","0.71073","MoKα","","0.0484","0.0466","","","0.1438","0.1454","","","","","","1.164","","","","has coordinates,has disorder","179111","2020-10-21","18:00:00",""
"4308345","8.8379","0.0006","8.8379","0.0006","18.423","0.002","90","","90","","90","","1439","0.2","93","2","93","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C12 H12 Cl2 N2 S Zn -","- C12 H12 Cl2 N2 S Zn -","- C48 H48 Cl8 N8 S4 Zn4 -","4","0.5","","Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide","Inorganic Chemistry","2005","44","","27","39","10.1021/ic048915s","","","0.71073","MoKα","","0.019","0.0185","","","0.0463","0.0466","","","","","","1.117","","","","has coordinates","179121","2020-10-21","18:00:00",""
"4308500","8.1469","0.0002","8.1469","0.0002","17.8046","0.0005","90","","90","","90","","1181.73","0.05","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","Mn-formate-Bipyridine","","","- C12 H10 Mn N2 O4 -","- C12 H10 Mn N2 O4 -","- C48 H40 Mn4 N8 O16 -","4","0.5","","Xin-Yi Wang; Hai-Yan Wei; Zhe-Ming Wang; Zhi-Da Chen; Song Gao","Formate The Analogue of Azide: Structural and Magnetic Properties of M(HCOO)2(4,4'-bpy).nH2O (M = Mn, Co, Ni; n= 0, 5)","Inorganic Chemistry","2005","44","","572","583","10.1021/ic049170t","","","0.71073","MoKα","","0.0375","0.0243","","","0.0458","0.0473","","","","","","0.961","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308501","7.9861","0.0002","7.9861","0.0002","17.4996","0.0005","90","","90","","90","","1116.09","0.05","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H10 Co N2 O4 -","- C12 H10 Co N2 O4 -","- C48 H40 Co4 N8 O16 -","4","0.5","","Xin-Yi Wang; Hai-Yan Wei; Zhe-Ming Wang; Zhi-Da Chen; Song Gao","Formate The Analogue of Azide: Structural and Magnetic Properties of M(HCOO)2(4,4'-bpy).nH2O (M = Mn, Co, Ni; n= 0, 5)","Inorganic Chemistry","2005","44","","572","583","10.1021/ic049170t","","","0.71073","MoKα","","0.0398","0.0255","","","0.0481","0.0503","","","","","","0.931","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308534","13.564","0.0003","13.564","0.0003","17.015","0.0004","90","","90","","90","","3130.46","0.12","173","2","173","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C160 H112 O32 -","8","1","","Diane A. Dickie; Michael C. Jennings; Hilary A. Jenkins; Jason A. C. Clyburne","A Zinc Carboxylate Network Containing Metal Sites with Low Coordination Numbers","Inorganic Chemistry","2005","44","","828","830","10.1021/ic048443h","","","0.71073","MoKα","","0.0574","0.0396","","","0.0808","0.0885","","","","","","1.041","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4309036","11.6124","0.0001","11.6124","0.0001","15.5183","0.0002","90","","90","","90","","2092.61","0.04","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Bis[N-methyl-(2-oxy-2-phenylethyl)-(2-oxyethyl)amine]germanium","","- C22 H30 Ge N2 O4 -","- C22 H30 Ge N2 O4 -","- C88 H120 Ge4 N8 O16 -","4","0.5","","Sergey S. Karlov; Elmira Kh. Lermontova; Maxim V. Zabalov; Anastasia A. Selina; Andrei V. Churakov; Judith A. K. Howard; Mikhail Yu. Antipin; Galina S. Zaitseva","Synthesis, X-ray Diffraction Studies, and DFT Calculations on Hexacoordinated Germanium Derivatives: The Case of Germaspirobis(ocanes)","Inorganic Chemistry","2005","44","","4879","4886","10.1021/ic048165m","","","0.71073","MoKα","","0.0289","0.0246","","","0.0559","0.057","","","","","","1.068","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309146","15.067","0.0005","15.067","0.0005","13.135","0.0005","90","","90","","90","","2981.84","0.18","110","2","110","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C28 H38 Cl4 N2 O4 Ti -","- C28 H38 Cl4 N2 O4 Ti -","- C112 H152 Cl16 N8 O16 Ti4 -","4","0.5","","Adi Yeori; Stanislav Groysman; Israel Goldberg; Moshe Kol","Diastereoisomerically Selective Enantiomerically Pure Titanium Complexes of Salan Ligands: Synthesis, Structure, and Preliminary Activity Studies","Inorganic Chemistry","2005","44","","4466","4468","10.1021/ic050745b","","","0.71073","MoKα","","0.1058","0.0585","","","0.1068","0.122","","","","","","0.966","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309512","16.4355","0.0006","16.4355","0.0006","13.9077","0.0006","90","","90","","90","","3756.8","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H18 Cu N8 O3 -","- C24 H18 Cu N8 O3 -","- C96 H72 Cu4 N32 O12 -","4","0.5","","Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang; Mark D. Smith; Cheng-Yong Su","Spontaneously Resolved Chiral Three-Fold Interpenetrating Diamondoidlike Cu(II) Coordination Polymers with Temperature-Driven Crystal-to-Crystal Transformation","Inorganic Chemistry","2005","44","","6143","6145","10.1021/ic0505504","","","0.71073","MoKα","","0.0328","0.0291","","","0.0746","0.0755","","","","","","0.971","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309514","16.403","0.002","16.403","0.002","13.905","0.003","90","","90","","90","","3741.3","1","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C24 H22 Cl2 Cu N8 O12 -","- C24 H20 Cl2 Cu N8 O12 -","- C96 H80 Cl8 Cu4 N32 O48 -","4","0.5","","Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang; Mark D. Smith; Cheng-Yong Su","Spontaneously Resolved Chiral Three-Fold Interpenetrating Diamondoidlike Cu(II) Coordination Polymers with Temperature-Driven Crystal-to-Crystal Transformation","Inorganic Chemistry","2005","44","","6143","6145","10.1021/ic0505504","","","0.71073","MoKα","","0.1084","0.071","","","0.1689","0.1871","","","","","","0.979","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4311142","20.2791","0.001","20.2791","0.001","54.873","0.006","90","","90","","90","","22566","3","193","2","193","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C186 H138 Mn9 N46 O30 -","- C186 H138 Mn9 N46 O30 -","- C744 H552 Mn36 N184 O120 -","4","0.5","","Liang Zhao; Zhiqiang Xu; Hilde Grove; Victoria A. Milway; Louise N. Dawe; Tareque S. M. Abedin; Laurence K. Thompson; Timothy L. Kelly; Rosemary G. Harvey; David O. Miller; Laura Weeks; Joseph G. Shapter; Kenneth J. Pope","Supramolecular Mn(II) and Mn(II)/Mn(III) Grid Complexes with [Mn9(μ2-O)12] Core Structures. Structural, Magnetic, and Redox Properties and Surface Studies","Inorganic Chemistry","2004","43","","3812","3824","10.1021/ic030319v","","","0.71073","MoKα","","0.1503","0.1106","","","0.3011","0.3229","","","","","","1.117","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311862","10.6519","0.0003","10.6519","0.0003","24.0758","0.0006","90","","90","","90","","2731.71","0.13","200","2","202","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","diiodo-bis(hexamethylphosphoramide)dioxouranium(VI)","diiodo-bis(hexamethylphosphoramide)dioxouranium(VI)","","- C12 H36 I2 N6 O4 P2 U -","- C12 H36 I2 N6 O4 P2 U -","- C48 H144 I8 N24 O16 P8 U4 -","4","0.5","","Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer; Heinrich Nöth; Max Suter","Synthesis and Characterization of Heavier Dioxouranium(VI) Dihalides","Inorganic Chemistry","2004","43","","7120","7126","10.1021/ic0354926","","","0.71073","MoKα","","0.05","0.0464","","","0.1374","0.1405","","","","","","1.11","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311865","10.4645","0.0001","10.4645","0.0001","23.7805","0.0003","90","","90","","90","","2604.1","0.05","200","2","202","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C12 H36 Br2 N6 O4 P2 U -","- C12 H36 Br2 N6 O4 P2 U -","- C48 H144 Br8 N24 O16 P8 U4 -","4","0.5","","Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer; Heinrich Nöth; Max Suter","Synthesis and Characterization of Heavier Dioxouranium(VI) Dihalides","Inorganic Chemistry","2004","43","","7120","7126","10.1021/ic0354926","","","0.71073","MoKα","","0.0487","0.0392","","","0.0942","0.0986","","","","","","1.097","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4312193","10.7737","0.001","10.7737","0.001","28.19","0.005","90","","90","","90","","3272.1","0.7","293","2","293","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C30 H24 F12 N2 O2 P2 Pd Se2 -","- C30 H24 F12 N2 O2 P2 Pd Se2 -","- C120 H96 F48 N8 O8 P8 Pd4 Se8 -","4","0.5","","Snigdha Panda; Harkesh B. Singh; Ray J. Butcher","Synthesis and Structure of Mercurous Ion and Dinuclear Lead(II) Complexes of the 28-Membered Selenaaza Macrocycle: Dominance of the Chelate Ring Size Effect and Conformational Requirement over Soft-Soft Interactions","Inorganic Chemistry","2004","43","","8532","8537","10.1021/ic0351949","","","0.71073","MoKα","","0.089","0.0499","","0.1006","0.0837","","","","1.039","1.074","1.074","","","","","has coordinates,has disorder","179160","2020-10-21","18:00:00",""
"4314685","13.6939","0.0007","13.6939","0.0007","34.408","0.003","90","","90","","90","","6452.3","0.7","220","2","220","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C54 H72 B3 F24 N2 P2 Rh -","- C54 H72 B3 F24 N2 P2 Rh -","- C216 H288 B12 F96 N8 P8 Rh4 -","4","0.5","","Adrian B. Chaplin; Andrew S. Weller","Amine- and Dimeric Amino-Borane Complexes of the {Rh(PiPr3)2}+ Fragment and Their Relevance to the Transition-Metal-Mediated Dehydrocoupling of Amine-Boranes","Inorganic Chemistry","2010","49","","1111","1121","10.1021/ic9020542","","","0.71073","MoKα","","0.0978","0.0692","","","0.1507","0.1702","","","","","","1.057","","","","has coordinates,has disorder","179224","2020-10-21","18:00:00",""
"4314699","16.592","0.002","16.592","0.002","10.856","0.003","90","","90","","90","","2988.6","1","103","2","103","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C12.5 H11.5 Li N0.5 O7.5 Zn -","- C11.25 H6 Li N0.5 O7 Zn -","- C90 H48 Li8 N4 O56 Zn8 -","8","1","","Lin-Hua Xie; Jian-Bin Lin; Xiao-Min Liu; Yu Wang; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Porous Coordination Polymer with Flexibility Imparted by Coordinatively Changeable Lithium Ions on the Pore Surface","Inorganic Chemistry","2010","49","","1158","1165","10.1021/ic902077j","","","0.71073","MoKα","","0.0514","0.0483","","","0.1342","0.1359","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314700","16.6332","0.0009","16.6332","0.0009","10.7833","0.0011","90","","90","","90","","2983.3","0.4","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C11 H11 Li O8 Zn -","- C9 H3 Li O7 Zn -","- C72 H24 Li8 O56 Zn8 -","8","1","","Lin-Hua Xie; Jian-Bin Lin; Xiao-Min Liu; Yu Wang; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Porous Coordination Polymer with Flexibility Imparted by Coordinatively Changeable Lithium Ions on the Pore Surface","Inorganic Chemistry","2010","49","","1158","1165","10.1021/ic902077j","","","0.71073","MoKα","","0.0586","0.047","","","0.1023","0.1074","","","","","","0.994","","","","has coordinates","179227","2020-10-21","18:00:00",""
"4314701","16.3463","0.001","16.3463","0.001","11.2519","0.0013","90","","90","","90","","3006.5","0.4","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C9 H3 Li O6 Zn -","- C9 H3 Li O6 Zn -","- C72 H24 Li8 O48 Zn8 -","8","1","","Lin-Hua Xie; Jian-Bin Lin; Xiao-Min Liu; Yu Wang; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Porous Coordination Polymer with Flexibility Imparted by Coordinatively Changeable Lithium Ions on the Pore Surface","Inorganic Chemistry","2010","49","","1158","1165","10.1021/ic902077j","","","0.71073","MoKα","","0.044","0.0366","","","0.0931","0.0971","","","","","","1.093","","","","has coordinates","179227","2020-10-21","18:00:00",""
"4314703","16.3514","0.0006","16.3514","0.0006","11.2764","0.0008","90","","90","","90","","3015","0.3","103","2","103","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C9 H3 Li N0 O6 Zn -","- C9 H3 Li O6 Zn -","- C72 H24 Li8 O48 Zn8 -","8","1","","Lin-Hua Xie; Jian-Bin Lin; Xiao-Min Liu; Yu Wang; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Porous Coordination Polymer with Flexibility Imparted by Coordinatively Changeable Lithium Ions on the Pore Surface","Inorganic Chemistry","2010","49","","1158","1165","10.1021/ic902077j","","","0.71073","MoKα","","0.0377","0.0337","","","0.0781","0.0805","","","","","","1.06","","","","has coordinates","179227","2020-10-21","18:00:00",""
"4314704","16.3136","0.0001","16.3136","0.0001","11.3049","0.0002","90","","90","","90","","3008.61","0.06","195","2","195","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C9 H3 Li O6 Zn -","- C9 H3 Li O6 Zn -","- C72 H24 Li8 O48 Zn8 -","8","1","","Lin-Hua Xie; Jian-Bin Lin; Xiao-Min Liu; Yu Wang; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Porous Coordination Polymer with Flexibility Imparted by Coordinatively Changeable Lithium Ions on the Pore Surface","Inorganic Chemistry","2010","49","","1158","1165","10.1021/ic902077j","","","1.54178","CuKα","","0.0654","0.0624","","","0.2035","0.2129","","","","","","1.338","","","","has coordinates","179227","2020-10-21","18:00:00",""
"4316032","6.5418","0.0003","6.5418","0.0003","25.782","0.002","90","","90","","90","","1103.34","0.11","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- Ba2 Cu3.26 Se0.73 Te4.27 -","- Ba2 Cu3.258 Se0.729 Te4.271 -","- Ba8 Cu13.032 Se2.916 Te17.084 -","4","0.5","","Oottil Mayasree; Yanjie Cui; Abdeljalil Assoud; Holger Kleinke","Structure Change via Partial Se/Te Substitution: Crystal Structure and Physical Properties of the Telluride Ba2Cu4-xTe5 in Contrast to the Selenide-Telluride Ba2Cu4-xSeyTe5-y","Inorganic Chemistry","2010","49","","6518","6524","10.1021/ic100268q","","","0.71073","MoKα","","0.0283","0.0254","","","0.0553","0.0574","","","","","","1.119","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316033","6.6049","0.0007","6.6049","0.0007","26.026","0.003","90","","90","","90","","1135.4","0.2","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- Ba2 Cu3.19 Se0.29 Te4.71 -","- Ba2 Cu3.19 Se0.288 Te4.712 -","- Ba8 Cu12.76 Se1.152 Te18.848 -","4","0.5","","Oottil Mayasree; Yanjie Cui; Abdeljalil Assoud; Holger Kleinke","Structure Change via Partial Se/Te Substitution: Crystal Structure and Physical Properties of the Telluride Ba2Cu4-xTe5 in Contrast to the Selenide-Telluride Ba2Cu4-xSeyTe5-y","Inorganic Chemistry","2010","49","","6518","6524","10.1021/ic100268q","","","0.71073","MoKα","","0.0245","0.0211","","","0.0421","0.0452","","","","","","0.906","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316034","6.6263","0.0005","6.6263","0.0005","26.0448","0.0018","90","","90","","90","","1143.57","0.15","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- Ba2 Cu3.23 Se0.13 Te4.87 -","- Ba2 Cu3.23 Se0.13 Te4.87 -","- Ba8 Cu12.92 Se0.52 Te19.48 -","4","0.5","","Oottil Mayasree; Yanjie Cui; Abdeljalil Assoud; Holger Kleinke","Structure Change via Partial Se/Te Substitution: Crystal Structure and Physical Properties of the Telluride Ba2Cu4-xTe5 in Contrast to the Selenide-Telluride Ba2Cu4-xSeyTe5-y","Inorganic Chemistry","2010","49","","6518","6524","10.1021/ic100268q","","","0.71073","MoKα","","0.0243","0.02","","","0.0346","0.0364","","","","","","1.269","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316782","14.7006","0.0006","14.7006","0.0006","38.764","0.002","90","","90","","90","","8377.2","0.6","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C100 H104 Na4 O6 -","- C100 H104 Na4 O6 -","- C400 H416 Na16 O24 -","4","0.5","","Yong Huang; Yueh-Hsuan Tsai; Wen-Chou Hung; Chieh-Shen Lin; Wei Wang; Jui-Hsien Huang; Saikat Dutta; Chu-Chieh Lin","Synthesis and Structural Studies of Lithium and Sodium Complexes with OOO-Tridentate Bis(phenolate) Ligands: Effective Catalysts for the Ring-Opening Polymerization of l-Lactide","Inorganic Chemistry","2010","49","","9416","9425","10.1021/ic1011154","","","0.71073","MoKα","","0.0697","0.0444","","","0.1122","0.1243","","","","","","1.019","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316879","7.8001","0.0008","7.8001","0.0008","41.53","0.004","90","","90","","90","","2526.7","0.4","135","2","135","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H18 Fe0.5 P Se -","- C12 H18 Fe0.5 P Se -","- C96 H144 Fe4 P8 Se8 -","8","1","","Chelsea L. Mandell; Shannon S. Kleinbach; William G. Dougherty; W. Scott Kassel; Chip Nataro","Electrochemistry of 1,1'-Bis(2,4-dialkylphosphetanyl)ferrocene and 1,1'-Bis(2,5-dialkylphospholanyl)ferrocene Ligands: Free Phosphines, Metal Complexes, and Chalcogenides","Inorganic Chemistry","2010","49","","9718","9727","10.1021/ic1016164","","","0.71073","MoKα","","0.0452","0.0337","","","0.0715","0.0752","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317140","10.3795","0.0015","10.3795","0.0015","14.391","0.003","90","","90","","90","","1550.4","0.5","293","2","293","2","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- B44 Mg5 -","- B44 Mg4.7746 -","- B176 Mg19.0984 -","4","0.5","","Alexis Pediaditakis; Melanie Schroeder; Vanessa Sagawe; Thilo Ludwig; Harald Hillebrecht","Binary Boron-Rich Borides of Magnesium: Single-Crystal Investigations and Properties of MgB7 and the New Boride Mg~5B44","Inorganic Chemistry","2010","49","","10882","10893","10.1021/ic1012389","","","0.71073","MoKα","","0.0265","0.0251","","","0.0634","0.064","","","","","","1.143","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317617","10.7328","0.0001","10.7328","0.0001","46.1644","0.0006","90","","90","","90","","5317.82","0.1","203","","203","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","1,4,7,10-tetrakis((S)-2-hydroxy-3-phenoxypropyl) -1,4,7,10-tetraazacyclododecanecadmium(II) bis(p-nitrophenolate)","","- C56 H68 Cd N6 O14 -","- C56 H68 Cd N6 O14 -","- C224 H272 Cd4 N24 O56 -","4","0.5","","Christopher B. Smith; Ashley K. W. Stephens; Kia S. Wallwork; Stephen F. Lincoln; Max R. Taylor; Kevin P. Wainwright","Metal Ion-Dependent Molecular Inclusion Chemistry: Inclusion of Aromatic Anions by Coordinated 1,4,7,10-Tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetraazacyclododecane","Inorganic Chemistry","2002","41","","1093","1100","10.1021/ic010694s","","","0.71073","MoKα","","0.04","0.039","","0.06","","0.06","","","1.73","","","1.73","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4318951","12.097","0.009","12.097","","15.843","0.011","90","","90","","90","","2318","2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C6 H9 Cl2 N3 O3.5 Re -","- C6 H9 Cl2 N3 O3.5 Re -","- C48 H72 Cl16 N24 O28 Re8 -","8","1","","Christian Tessier; Fernande D. Rochon; André L. Beauchamp","Oxorhenium(V) Complexes with the Non-Sulfur-Containing Amino Acid Histidine","Inorganic Chemistry","2002","41","","6527","6536","10.1021/ic025809m","","","1.54178","CuKα","","0.0333","0.0332","","","0.0891","0.0893","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318952","12.25","0.002","12.25","0.002","16.02","0.005","90","","90","","90","","2404","0.9","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C6 H9 Br2 N3 O3.5 Re -","- C6 H9 Br2 N3 O3.5 Re -","- C48 H72 Br16 N24 O28 Re8 -","8","1","","Christian Tessier; Fernande D. Rochon; André L. Beauchamp","Oxorhenium(V) Complexes with the Non-Sulfur-Containing Amino Acid Histidine","Inorganic Chemistry","2002","41","","6527","6536","10.1021/ic025809m","","","0.71073","MoKα","","0.0598","0.0414","","","0.0739","0.0795","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321279","10.4396","0.0001","10.4396","0.0001","36.2157","0.0007","90","","90","","90","","3946.98","0.09","293","2","295","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C32 H46 N4 O20 Ru2 S2 -","- C32 H44 N4 O19 Ru2 S2 -","- C128 H176 N16 O76 Ru8 S8 -","4","0.5","","Beth R. Cameron; Gary J. Bridger; Kevin P. Maresca; Jon Zubieta","Synthesis of Bis-Thiolato-Bridged Ru(III) Dimers. The Crystal Structure of [Ru(H2edta)(μ-SC6H5)]2","Inorganic Chemistry","2000","39","","3928","3930","10.1021/ic990787y","","","0.71073","MoKα","","0.0714","0.0635","","","0.0976","0.0998","","","","","","1.395","","","","has coordinates","179315","2020-10-21","18:00:00",""
"4321565","16.628","0.001","16.628","0.001","22.78","0.001","90","","90","","90","","6298.5","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30.5 H18 Fe N6 O0.5 S2 -","- C30.5 H16 Fe N6 O0.5 S2 -","- C244 H128 Fe8 N48 O4 S16 -","8","1","","Nicolás Moliner; Carmen Muñoz; Sylvie Létard; Xavier Solans; Nieves Menéndez; Antoine Goujon; François Varret; José Antonio Real","Spin Crossover Bistability in Three Mutually Perpendicular Interpenetrated (4,4) Nets","Inorganic Chemistry","2000","39","","5390","5393","10.1021/ic0005588","","","0.71069","MoKα","","0.0926","0.0634","","","0.1904","0.204","","","","","","1.162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322271","13.6404","0.0003","13.6404","0.0003","19.1118","0.0004","90","","90","","90","","3555.95","0.13","218","2","218","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C33 H47 Er N8 -","- C33 H47 Er N8 -","- C132 H188 Er4 N32 -","4","0.5","","Dirk Pfeiffer; Bhekumusa J. Ximba; Louise M. Liable-Sands; Arnold L. Rheingold; Mary Jane Heeg; David M. Coleman; H. Bernhard Schlegel; Thomas F. Kuech; Charles H. Winter","Synthesis, Structure, and Molecular Orbital Studies of Yttrium, Erbium, and Lutetium Complexes Bearing η2-Pyrazolato Ligands: Development of a New Class of Precursors for Doping Semiconductors","Inorganic Chemistry","1999","38","","4539","4548","10.1021/ic990319o","","","0.71073","MoKα","","0.0392","0.0269","","0.0831","0.0501","","","","0.88","0.889","0.889","","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4322499","8.759","0.006","8.7586","","39.967","0.008","90","","90","","90","","3066","2","296.2","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H26 Ag2 Cl2 O10 -","- C32 H12 Ag2 Cl2 O10 -","- C128 H48 Ag8 Cl8 O40 -","4","0.5","","Megumu Munakata; Liang Ping Wu; Kunihisa Sugimoto; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Naoto Maeno; Motoshi Fujita","Silver(I) Complex Assemblies with Nonplanar Aromatic Compounds","Inorganic Chemistry","1999","38","","5674","5680","10.1021/ic990391m","","","0.7107","MoKα","","","0.0622","","","","0.1771","","","","","","1.189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322586","14.477","0.005","14.4767","","35.221","0.004","90","","90","","90","","7382","3","296","","296","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C66 H106 Fe N8 O4 S4 -","- C78 H132 Fe N8 O4 S4 -","- C312 H528 Fe4 N32 O16 S16 -","4","0.5","","Taka-aki Okamura; Satoshi Takamizawa; Norikazu Ueyama; Akira Nakamura","Novel Rubredoxin Model Tetrathiolato Iron(II) and Cobalt(II) Complexes Containing Intramolecular Single and Double NH...S Hydrogen Bonds","Inorganic Chemistry","1998","37","","18","28","10.1021/ic970640b","","","0.7107","MoKalpha","","","0.0774","","","0.0757","","","","","2.769","2.769","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322587","14.475","0.008","14.4754","","35.14","0.01","90","","90","","90","","7363","5","296","","296","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C66 H106 Co N8 O4 S4 -","- C88 H146 Co N8 O4 S4 -","- C352 H584 Co4 N32 O16 S16 -","4","0.5","","Taka-aki Okamura; Satoshi Takamizawa; Norikazu Ueyama; Akira Nakamura","Novel Rubredoxin Model Tetrathiolato Iron(II) and Cobalt(II) Complexes Containing Intramolecular Single and Double NH...S Hydrogen Bonds","Inorganic Chemistry","1998","37","","18","28","10.1021/ic970640b","","","0.7107","MoKalpha","","","0.0771","","","0.0889","","","","","3.2","3.2","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323129","15.564","0.003","15.564","0.003","11.166","0.005","90","","90","","90","","2704.8","1.4","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C8 H8 Ag B F4 N4 -","- C8 H8 Ag B F4 N4 -","- C64 H64 Ag8 B8 F32 N32 -","8","1","","Lucia Carlucci; Gianfranco Ciani; Davide M. Proserpio; Angelo Sironi","Polymeric Helical Motifs from the Self-Assembly of Silver Salts and Pyridazine","Inorganic Chemistry","1998","37","","5941","5943","10.1021/ic9805022","","","0.71069","MoKa","","","0.0789","","","0.2004","","","","","1.206","1.206","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323924","18.352","0.001","18.352","0.001","17.067","0.001","90","","90","","90","","5748.1","0.6","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C54 H53 N11 O16 Rh2 -","- C54 H50 N11 O16 Rh2 -","- C216 H200 N44 O64 Rh8 -","4","0.5","","Michael P. Doyle; Qi-Lin Zhou; Conrad E. Raab; Gregory H. P. Roos; Stanley H. Simonsen; Vincent Lynch","Synthesis and Structures of (2,2-cis)-Dirhodium(II) Tetrakis[methyl 1-acyl-2-oxoimidazolidine-4(S)-carboxylates]. Chiral Catalysts for Highly Stereoselective Metal Carbene Transformations","Inorganic Chemistry","1996","35","","6064","6073","10.1021/ic960249a","","","0.71073","MoKα","","0.0567","0.0373","","0.0902","0.082","","","","1.022","1.05","1.05","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4324628","21.9176","0.0004","21.9176","0.0004","36.9948","0.0008","90","","90","","90","","17771.6","0.6","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","[K-crypt]3[Ge9Tl].2py","","","- C64 H118 Ge9 K3 N8 O18 Tl -","- C64 H118 Ge9 K3 N8 O18 Tl -","- C512 H944 Ge72 K24 N64 O144 Tl8 -","8","1","","Daniel Rios; Miriam M. Gillett-Kunnath; Jacob D. Taylor; Allen G. Oliver; Slavi C. Sevov","Addition of a Thallium Vertex to Empty and Centered Nine-Atom Deltahedral Zintl Ions of Germanium and Tin","Inorganic Chemistry","2011","50","","2373","2377","10.1021/ic102152e","","","0.71073","MoKα","","0.0339","0.0301","","","0.0792","0.0816","","","","","","1.087","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324679","15.247","0.0005","15.247","0.0005","43.4821","0.0018","90","","90","","90","","10108.3","0.6","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 N3 O12 P3 Sm -","- C36 H81 N3 O12 P3 Sm -","- C288 H648 N24 O96 P24 Sm8 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.1418","0.0826","","","0.1576","0.1826","","","","","","1.036","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324680","15.2683","0.0004","15.2683","0.0004","43.334","0.0016","90","","90","","90","","10102.1","0.5","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 Gd N3 O12 P3 -","- C36 H81 Gd N3 O12 P3 -","- C288 H648 Gd8 N24 O96 P24 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.0902","0.0518","","","0.1081","0.1239","","","","","","1.049","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324682","15.2959","0.0006","15.2959","0.0006","43.217","0.002","90","","90","","90","","10111.2","0.7","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 Ho N3 O12 P3 -","- C36 H81 Ho N3 O12 P3 -","- C288 H648 Ho8 N24 O96 P24 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.086","0.0591","","","0.1401","0.1558","","","","","","1.039","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324683","15.3066","0.0007","15.3066","0.0007","43.17","0.003","90","","90","","90","","10114.4","1","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 Er N3 O12 P3 -","- C36 H81 Er N3 O12 P3 -","- C288 H648 Er8 N24 O96 P24 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.1422","0.0636","","","0.1107","0.1337","","","","","","1.028","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4325251","9.4879","0.0009","9.4879","0.0009","21.584","0.004","90","","90","","90","","1943","0.4","173","2","173","2","","","101","","","","","6","P 41 21 2","P 4abw 2nw","92","N-Sulfurylchloride-N,N'-benzamidine","N-Sulfurylchloride-N,N'-benzamidine","","- C7 H7 Cl N2 O2 S -","- C7 H7 Cl N2 O2 S -","- C56 H56 Cl8 N16 O16 S8 -","8","1","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.061","0.0421","","","0.1101","0.1166","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326870","9.3901","0.0001","9.3901","0.0001","32.1248","0.0006","90","","90","","90","","2832.57","0.07","295","2","295","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H36 N6 Ni O10 -","- C24 H36 N6 Ni O10 -","- C96 H144 N24 Ni4 O40 -","4","0.5","","Agnieszka Wojciechowska; Marek Daszkiewicz; Zbigniew Staszak; Agnieszka Trusz-Zdybek; Alina Bieńko; Andrzej Ozarowski","Synthesis, Crystal Structure, Spectroscopic, Magnetic, Theoretical, and Microbiological Studies of a Nickel(II) Complex ofl-Tyrosine and Imidazole, [Ni(Im)2(l-tyr)2].4H2O","Inorganic Chemistry","2011","50","","11532","11542","10.1021/ic201471f","","","0.71073","MoKα","","0.0365","0.0262","","","0.0573","0.0644","","","","","","1.095","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4327156","7.808","0.0011","7.808","0.0011","14.396","0.003","90","","90","","90","","877.7","0.3","273","2","273","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- La1.85 Si4 Y3.15 -","- La1.856 Si4 Y3.144 -","- La7.424 Si16 Y12.576 -","4","0.5","","Hui Wang; Fei Wang; Karah Jones; Gordon J. Miller","Chemical Pressure and Rare-Earth Orbital Contributions in Mixed Rare-Earth Silicides La5-xYxSi4 (0 <=x<= 5)","Inorganic Chemistry","2011","50","","12714","12723","10.1021/ic201840q","","","0.71073","MoKα","","0.062","0.0408","","","0.0628","0.0684","","","","","","1.005","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327157","7.9727","0.0015","7.9727","0.0015","15.013","0.004","90","","90","","90","","954.3","0.4","298","2","298","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- La3.97 Si4 Y1.02 -","- La3.976 Si4 Y1.024 -","- La15.904 Si16 Y4.096 -","4","0.5","","Hui Wang; Fei Wang; Karah Jones; Gordon J. Miller","Chemical Pressure and Rare-Earth Orbital Contributions in Mixed Rare-Earth Silicides La5-xYxSi4 (0 <=x<= 5)","Inorganic Chemistry","2011","50","","12714","12723","10.1021/ic201840q","","","0.71073","MoKα","","0.06","0.04","","","0.0662","0.0709","","","","","","1.094","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4328889","16.4964","0.0003","16.4964","0.0003","61.5156","0.0018","90","","90","","90","","16740.3","0.7","85","2","85","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","La[15-MC Cu(II), L-homopheHA-5](isonicotinate)","","- C63 H94.5 Cu5 La N13 O29.25 -","- C62.75 H71 Cu5 La N13 O31 -","- C502 H568 Cu40 La8 N104 O248 -","8","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.1051","0.0948","","","0.2034","0.2075","","","","","","1.244","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330298","22.5663","0.0014","22.5663","0.0014","13.8877","0.0018","90","","90","","90","","7072.1","1.1","123","2","123","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C62 H74 Cd2 N6 O25 -","- C62 H74 Cd2 N6 O25 -","- C248 H296 Cd8 N24 O100 -","4","0.5","","Yan-An Li; Shu-Kui Ren; Qi-Kui Liu; Jian-Ping Ma; Xueyuan Chen; Haomiao Zhu; Yu-Bin Dong","Encapsulation and Sensitization of UV-vis and Near Infrared Lanthanide Hydrate Emitters for Dual- and Bimodal-Emissions in Both Air and Aqueous Media Based on a Porous Heteroatom-Rich Cd(II)-Framework","Inorganic Chemistry","2012","51","","9629","9635","10.1021/ic300665a","","","0.71073","MoKα","","0.0399","0.0378","","","0.0933","0.0945","","","","","","1.106","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330927","12.954","0.003","12.954","0.003","35.031","0.012","90","","90","","90","","5878","3","130","2","130","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C52 H76 N4 P6 -","- C52 H76 N4 P6 -","- C208 H304 N16 P24 -","4","0.5","","Nick A. Giffin; Arthur D. Hendsbee; Tracey L. Roemmele; Michael D. Lumsden; Cory C. Pye; Jason D. Masuda","Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations","Inorganic Chemistry","2012","51","","11837","11850","10.1021/ic301758k","","","0.71073","MoKα","","0.072","0.0631","","","0.1631","0.1689","","","","","","1.07","","","","has coordinates,has disorder","179412","2020-10-21","18:00:00",""
"4331044","12.8822","0.0001","12.8822","0.0001","27.3451","0.0002","90","","90","","90","","4537.95","0.06","150","2","150","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","[K(2,2,2-crypt)][Co(2,2'-bipy)(Mes)2]","","- C46 H66 Co K N4 O6 -","- C46 H66 Co K N4 O6 -","- C184 H264 Co4 K4 N16 O24 -","4","0.5","","Mark Irwin; Laurence R. Doyle; Tobias Krämer; Radovan Herchel; John E. McGrady; Jose M. Goicoechea","A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding","Inorganic Chemistry","2012","51","","12301","12312","10.1021/ic301587f","","","0.71073","MoKα","","0.0329","0.0281","","","0.0718","0.0738","","","","","","1.025","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331899","13.6929","0.0019","13.6929","0.0019","50.664","0.01","90","","90","","90","","9499","3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H34 N4 O18 Zn3 -","- C30 H34 N4 O18 Zn3 -","- C240 H272 N32 O144 Zn24 -","8","1","","Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Sun, Jinyu; Sun, Fuxing; Qiu, Shilun","Structure, Luminescence, and Adsorption Properties of Two Chiral Microporous Metal−Organic Frameworks","Inorganic Chemistry","2006","45","9","3582","3587","10.1021/ic051810k","","","0.71073","MoKα","","0.1081","0.0761","","","0.2","0.2191","","","","","","1.079","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4332217","14.9346","0.0007","14.9346","0.0007","24.8","0.002","90","","90","","90","","5531.4","0.6","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H20 Cu F12 N4 O6 -","- C22 H20 Cu F12 N4 O6 -","- C176 H160 Cu8 F96 N32 O48 -","8","1","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.028","0.0269","","","0.0719","0.0725","","","","","","0.976","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332218","15.0952","0.0012","15.0952","0.0012","24.85","0.003","90","","90","","90","","5662.4","0.9","240","2","240","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H20 Cu F12 N4 O6 -","- C22 H20 Cu F12 N4 O6 -","- C176 H160 Cu8 F96 N32 O48 -","8","1","","Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor","2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals","Inorganic Chemistry","2006","45","9","3671","3678","10.1021/ic060132e","","","0.71073","MoKα","","0.0399","0.037","","","0.0945","0.0961","","","","","","1.16","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332469","18.881","0.0008","18.881","0.0008","21.9839","0.001","90","","90","","90","","7837.1","0.6","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H54 I6 N3 Nd -","- C24 H54 I6 N3 Nd -","- C192 H432 I48 N24 Nd8 -","8","1","","Babai, Arash; Mudring, Anja-Verena","Crystal Engineering in Ionic Liquids. The Crystal Structures of [Mppyr]3[NdI6] and [Bmpyr]4[NdI6][Tf2N]","Inorganic Chemistry","2006","45","13","4874","4876","10.1021/ic060414e","","","0.71073","MoKα","","0.0654","0.0463","","","0.1051","0.1136","","","","","","0.963","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4333017","10.7034","0.0004","10.7034","0.0004","46.411","0.002","90","","90","","90","","5317","0.4","150","2","150","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C29 H23 Fe O4 P W -","- C29 H23 Fe O4 P W -","- C232 H184 Fe8 O32 P8 W8 -","8","1","","Štěpnička, Petr; Císařová, Ivana","Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines","Inorganic Chemistry","2006","45","21","8785","8798","10.1021/ic061278g","","","0.71073","MoKα","","0.0444","0.0267","","","0.048","0.0492","","","","","","0.907","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333154","8.1259","0.0001","8.1259","","17.4953","0.0002","90","","90","","90","","1155.22","0.019","","","298","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","potassium orthoselenate(VI)","","","- K6 O9 Se2 -","- K6 O9 Se2 -","- K24 O36 Se8 -","4","0.5","","Orosel, Denis; Dinnebier, Robert; Jansen, Martin","High-Pressure Synthesis and Structure Determination of K6(SeO4)(SeO5), the First Potassium Orthoselenate(VI)","Inorganic Chemistry","2006","45","26","10947","10950","10.1021/ic061548v","powder diffraction","x-ray","0.64895","","","","","","","","","0.07964","","1.48","","","","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4334717","20.588","0.0013","20.588","0.0013","14.8432","0.001","90","","90","","90","","6291.5","0.7","200","2","200","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C44 H58 Cd Cl2 N4 O34 Pt2 S4 -","- C44 H58 Cd Cl2 N4 O34 Pt2 S4 -","- C176 H232 Cd4 Cl8 N16 O136 Pt8 S16 -","4","0.5","","Takaaki Tsuji; Naoto Kuwamura; Nobuto Yoshinari; Takumi Konno","Synthesis and Coordination Behavior of a Bipyridine Platinum(II) Complex with Thioglucose","Inorganic Chemistry","2013","52","","5350","5358","10.1021/ic400287g","","","0.71075","MoKα","","0.0418","0.0383","","","0.0746","0.0754","","","","","","1.253","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4336798","26.3718","0.0003","26.3718","0.0003","36.6258","0.0006","90","","90","","90","","25472.2","0.6","291","2","291.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C112 H80 Eu4.5 F8 O21 -","- C112 H80 Eu4.5 F8 O21 -","- C896 H640 Eu36 F64 O168 -","8","1","","Bin Zhang; Ting Xiao; Chunmei Liu; Qian Li; Yanyan Zhu; Mingsheng Tang; Chenxia Du; Maoping Song","Systematic Study of the Luminescent Europium-Based Nonanuclear Clusters with Modified 2-Hydroxybenzophenone Ligands","Inorganic Chemistry","2013","52","","13332","13340","10.1021/ic401191e","","","0.71073","MoKα","","0.0608","0.0414","","","0.0805","0.0875","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338273","13.533","0.002","13.533","0.002","14.972","0.004","90","","90","","90","","2742","0.9","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C19 H24 Cu2 N6 O6 -","- C19 H24 Cu2 N6 O6 -","- C76 H96 Cu8 N24 O24 -","4","0.5","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0781","0.064","","","0.1847","0.2008","","","","","","0.997","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338412","7.3537","0.0004","7.3537","0.0004","38.8642","0.0018","90","","90","","90","","2101.66","0.19","90","","90","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C14 H32 Cl2 Co N4 O7 -","- C14 H32 Cl2 Co N4 O7 -","- C56 H128 Cl8 Co4 N16 O28 -","4","0.5","","Olatunde, Abiola O.; Cox, Jordan M.; Daddario, Michael D.; Spernyak, Joseph A.; Benedict, Jason B.; Morrow, Janet R.","Seven-Coordinate Co(II), Fe(II) and Six-Coordinate Ni(II) Amide-Appended Macrocyclic Complexes as ParaCEST Agents in Biological Media.","Inorganic chemistry","2014","53","16","8311","8321","10.1021/ic5006083","","x-ray","0.71073","MoKα","","0.0302","0.0277","","","0.0639","0.0648","","","","","","1.062","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4340947","19.868","0.003","19.868","0.003","14.975","0.004","90","","90","","90","","5911","2","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H28.04 N2 O12.02 Sr -","- C30 H22 N2 O12.023 Sr -","- C240 H176 N16 O96.184 Sr8 -","8","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.079","0.0538","","","0.1118","0.1239","","","","","","1.03","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340949","19.03","0.005","19.03","0.005","14.797","0.007","90","","90","","90","","5359","3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H22 N2 O9 Sr -","- C30 H20 N2 O9 Sr -","- C240 H160 N16 O72 Sr8 -","8","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.1515","0.1329","","","0.3251","0.3373","","","","","","1.113","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340950","19.9232","0.0012","19.9232","0.0012","14.9716","0.0018","90","","90","","90","","5942.7","0.9","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H28.66 N2 O12.33 Sr -","- C30 H20 N2 O12.33 Sr -","- C240 H160 N16 O98.64 Sr8 -","8","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.0469","0.0404","","","0.1039","0.1062","","","","","","1.001","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340951","19.9537","0.001","19.9537","0.001","14.9778","0.0015","90","","90","","90","","5963.4","0.7","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H20 D7.97 N2 O11.99 Sr -","- C30 H20 D2 N2 O11.988 Sr -","- C240 H160 D16 N16 O95.904 Sr8 -","8","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.0495","0.0412","","","0.1027","0.1071","","","","","","1.063","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4341421","12.4736","0.0001","12.4736","0.0001","70.2884","0.0008","90","","90","","90","","10936.2","0.18","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C35 H35 Cu4 N2.5 O22.5 -","- C35.5 H20 Cu4 N2 O23 -","- C284 H160 Cu32 N16 O184 -","8","1","","Xu, Zhong-Xuan; Tan, Yan-Xi; Fu, Hong-Ru; Liu, Juan; Zhang, Jian","Homochiral Metal‒Organic Frameworks with Enantiopure Proline Units for the Catalytic Synthesis of β-Lactams","Inorganic Chemistry","2014","","","141031102220000","","10.1021/ic501849g","","","1.54178","CuKα","","0.0894","0.0848","","","0.2432","0.2519","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4345649","19.3748","0.0005","19.3748","0.0005","43.244","0.002","90","","90","","90","","16233.1","1","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H38 F9 N2 O6 Tb -","- C36 H38 F9 N2 O6 Tb -","- C576 H608 F144 N32 O96 Tb16 -","16","2","","Wong, Ho-Yin; Lo, Wai-Sum; Chan, Wesley Ting Kwok; Law, Ga-Lai","Mechanistic Investigation of Inducing Triboluminescence in Lanthanide(III) β-Diketonate Complexes.","Inorganic chemistry","2017","56","9","5135","5140","10.1021/acs.inorgchem.7b00273","","","0.71073","MoKα","","0.1178","0.0741","","","0.1762","0.1995","","","","","","1.058","","","","has coordinates,has disorder","196132","2020-10-21","18:00:00",""
"4345830","19.3489","0.0009","19.3489","0.0009","43.5781","0.0039","90","","90","","90","","16314.8","1.8","294","2","294","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H38 F9 N2 O6 Sm -","- C36 H38 F9 N2 O6 Sm -","- C576 H608 F144 N32 O96 Sm16 -","16","2","","Wong, Ho-Yin; Lo, Wai-Sum; Chan, Wesley Ting Kwok; Law, Ga-Lai","Mechanistic Investigation of Inducing Triboluminescence in Lanthanide(III) β-Diketonate Complexes.","Inorganic chemistry","2017","56","9","5135","5140","10.1021/acs.inorgchem.7b00273","","","0.71073","MoKα","","0.0586","0.0403","","","0.087","0.097","","","","","","1.091","","","","has coordinates,has disorder","195996","2020-10-21","18:00:00",""
"4347044","16.3201","0.0016","16.3201","0.0016","47.25","0.004","90","","90","","90","","12585","2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C25 H64 Cu8 N3 Na5 O58 -","- C25 H64 Cu8 N3 Na5 O58 -","- C200 H512 Cu64 N24 Na40 O464 -","8","1","","Meng, Wei; Xu, Feng; Xu, Weijian","Enantiomerically Pure Chiral {Cu(II)32}-Based 2D-Layered Frameworks: From the Asymmetric Octacopper(II) Subcomponents to 3D Hierarchical Supramolecular Structures.","Inorganic chemistry","2016","55","6","2673","2675","10.1021/acs.inorgchem.5b02654","","","0.71073","MoKα","","0.1127","0.0882","","","0.1971","0.2071","","","","","","1.12","","","","has coordinates,has disorder","232139","2020-10-21","18:00:00",""
"4347058","12.5389","0.0001","12.5389","0.0001","27.2742","0.0004","90","","90","","90","","4288.16","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H62 B22 Cs2 N2 -","- C24 H62 B22 Cs2 N2 -","- C96 H248 B88 Cs8 N8 -","4","0.5","","Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef","Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).","Inorganic chemistry","2016","55","8","3797","3806","10.1021/acs.inorgchem.5b02678","","","0.71073","MoKα","","0.0386","0.0348","","","0.0839","0.0855","","","","","","1.114","","","","has coordinates,has disorder","232148","2020-10-21","18:00:00",""
"4347255","15.7496","0.0004","15.7496","0.0004","35.867","0.002","90","","90","","90","","8896.8","0.6","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C34 H40 Cl2 N2 O9 P2 Zn2 -","- C34 H40 Cl2 N2 O9 P2 Zn2 -","- C272 H320 Cl16 N16 O72 P16 Zn16 -","8","1","","Dar, Aijaz A.; Bhat, Gulzar A.; Murugavel, Ramaswamy","Dimensionality Alteration and Intra- versus Inter-SBU Void Encapsulation in Zinc Phosphate Frameworks.","Inorganic chemistry","2016","55","11","5180","5190","10.1021/acs.inorgchem.5b02949","","","0.71073","MoKα","","0.0617","0.0512","","","0.1451","0.149","","","","","","1.052","","","","has coordinates","232237","2020-10-21","18:00:00",""
"4347256","15.7636","0.0017","15.7636","0.0017","36.843","0.004","90","","90","","90","","9155.2","1.7","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C36 H40 Br2 N2 O11 P2 Zn2 -","- C36 H40 Br2 N2 O11 P2 Zn2 -","- C288 H320 Br16 N16 O88 P16 Zn16 -","8","1","","Dar, Aijaz A.; Bhat, Gulzar A.; Murugavel, Ramaswamy","Dimensionality Alteration and Intra- versus Inter-SBU Void Encapsulation in Zinc Phosphate Frameworks.","Inorganic chemistry","2016","55","11","5180","5190","10.1021/acs.inorgchem.5b02949","","","0.71075","MoKα","","0.0536","0.0532","","","0.1516","0.152","","","","","","1.149","","","","has coordinates","232237","2020-10-21","18:00:00",""
"4348172","11.8168","0.0001","11.8168","0.0001","14.8474","0.00018","90","","90","","90","","2073.24","0.04","200","","200","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H11 N Ni0.5 O2 -","- C12 H12 N2 Ni0.5 O -","- C96 H96 N16 Ni4 O8 -","8","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","","1.54184","CuKα","","0.0222","0.0218","","","0.0594","0.0598","","","","","","1.105","","","","has coordinates","232809","2020-10-21","18:00:00",""
"4348213","18.057","0.0003","18.057","0.0003","13.4495","0.0005","90","","90","","90","","4385.28","0.19","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C8.5 H In0.5 N0 O4.5 -","- C8.936 H In0.5 O4.064 -","- C71.488 H8 In4 O32.512 -","8","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.0344","0.0276","","","0.052","0.053","","","","","","1.026","","","","has coordinates,has disorder","232830","2020-10-21","18:00:00",""
"4348659","16.7895","0.0012","16.7895","0.0012","25.613","0.004","90","","90","","90","","7220","1.3","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C66 H84 Cl4 N8 O18 Zn2 -","- C66 H84 Cl4 N8 O18 Zn2 -","- C264 H336 Cl16 N32 O72 Zn8 -","4","0.5","","Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei","Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.","Inorganic chemistry","2016","55","17","8260","8262","10.1021/acs.inorgchem.6b01493","","","0.71073","MoKα","","0.072","0.0436","","","0.1128","0.1299","","","","","","1.009","","","","has coordinates","233234","2020-10-21","18:00:00",""
"4348661","14.83","0.002","14.83","0.002","33.197","0.007","90","","90","","90","","7301","2","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C68 H88 Cl4 N8 O16 Zn2 -","- C68 H88 Cl4 N8 O16 Zn2 -","- C272 H352 Cl16 N32 O64 Zn8 -","4","0.5","","Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei","Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.","Inorganic chemistry","2016","55","17","8260","8262","10.1021/acs.inorgchem.6b01493","","","0.71073","MoKα","","0.0421","0.0399","","","0.0969","0.0979","","","","","","1.079","","","","has coordinates","233234","2020-10-21","18:00:00",""
"4500460","15.8417","0.0006","15.8417","0.0006","19.1079","0.0013","90","","90","","90","","4795.3","0.4","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C17.5 H22 Br4 N2 O5.5 S -","- C17.5 H16 Br4 N2 O5.5 S -","- C140 H128 Br32 N16 O44 S8 -","8","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Organic Complexes Built by Halogenated Molecules: Unexpectedin SituC‒N Bond Formation in Metal-Free Solvothermal Conditions","Crystal Growth & Design","2011","11","6","2035","","10.1021/cg101550w","","","0.71073","MoKα","","0.0797","0.0618","","","0.1717","0.1884","","","","","","1.154","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500914","17.6574","0.0004","17.6574","0.0004","18.6518","0.0009","90","","90","","90","","5815.3","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H21 N3 Ni2 O10.5 -","- C25 H21 N3 Ni2 O10.5 -","- C200 H168 N24 Ni16 O84 -","8","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Han, Dong; Feng, Rui; Hong, Mao-Chun","Construction of 5-Aminodiacetic Isophthalate Based Nickel(II) Complexes with Diverse Topologies through Modulating the Auxiliary Ligands","Crystal Growth & Design","2011","11","7","3273","","10.1021/cg200511q","","","0.71073","MoKα","","0.051","0.0471","","","0.1336","0.1402","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501768","8.7337","0.0003","8.7337","0.0003","30.2147","0.0012","90","","90","","90","","2304.7","0.14","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C12 H13 O2 S -","- C12 H13 O2 S -","- C96 H104 O16 S8 -","8","1","","Lee, Tu; Peng, Jen Fan","Photoluminescence and Crystal Structures of Chiro-Optical 1,1′-Bi-2-naphthol Crystals and Their Inclusion Compounds with Dimethyl Sulfoxide","Crystal Growth & Design","2010","10","8","3547","","10.1021/cg1004648","","","","","","0.136","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503808","5.7486","0.0006","5.7486","0.0006","31.437","0.005","90","","90","","90","","1038.9","0.2","295","2","295","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","dihyanthraquin_P41212_RT","dihyanthraquin_P41212_RT","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","0.5","","Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart","Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone","Crystal Growth & Design","2008","8","12","4517","","10.1021/cg8005212","","","0.71073","MoKα","","0.1311","0.0721","","","0.1717","0.1989","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504206","14.8219","0.0006","14.8219","0.0006","11.5312","0.0007","90","","90","","90","","2533.3","0.2","150","2","150","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H28 N2 O6 S2 Zn -","- C22 H28 N2 O6 S2 Zn -","- C88 H112 N8 O24 S8 Zn4 -","4","0.5","","Won, Tae-Jin; Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.","Cobalt(II), Copper(II), and Zinc(II) Framework Systems Derived from Ditopic Pyridyl-Acetylacetone and Pyridyl-Pyrazole Ligands","Crystal Growth & Design","2007","7","5","972","","10.1021/cg0700317","","","0.71073","MoKα","","0.038","0.0353","","","0.0983","0.0996","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504393","11.1513","0.0006","11.1513","0.0006","19.3206","0.0014","90","","90","","90","","2402.5","0.3","173","2","173","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","Cu-pyrimidine helix","","","- C4 H14 Cu F6 N2 O5 Si -","- C4 H14 Cu F6 N2 O5 Si -","- C32 H112 Cu8 F48 N16 O40 Si8 -","8","1","","Cordes, David, B.; Rogers, Robin D.","Enantiomorphic Helical Coordination Polymers of {[M(pyrimidine)(OH2)4][SiF6]·H2O}∞(M = Co2+, Cu2+, Zn2+)","Crystal Growth & Design","2007","7","10","1943","","10.1021/cg070462p","","","0.71073","MoKα","","0.0484","0.0295","","","0.0521","0.0561","","","","","","0.927","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504394","11.186","0.0002","11.186","0.0002","19.7088","0.0004","90","","90","","90","","2466.1","0.08","173","2","173","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","Zn-pyrimidine helix","","","- C4 H14 F6 N2 O5 Si Zn -","- C4 H14 F6 N2 O5 Si Zn -","- C32 H112 F48 N16 O40 Si8 Zn8 -","8","1","","Cordes, David, B.; Rogers, Robin D.","Enantiomorphic Helical Coordination Polymers of {[M(pyrimidine)(OH2)4][SiF6]·H2O}∞(M = Co2+, Cu2+, Zn2+)","Crystal Growth & Design","2007","7","10","1943","","10.1021/cg070462p","","","0.71073","MoKα","","0.09","0.0482","","","0.0755","0.0853","","","","","","0.65","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504656","6.6387","0.0004","6.6387","0.0004","23.471","0.003","90","","90","","90","","1034.42","0.16","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","5-fluorocytosine Form I","","- C4 H4 F N3 O -","- C4 H4 F N3 O -","- C32 H32 F8 N24 O8 -","8","1","","Hulme, Ashley T.; Tocher, Derek A.","The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction","Crystal Growth & Design","2006","6","2","481","487","10.1021/cg050398g","","","0.71073","MoKα","","0.034","0.0334","","","0.0854","0.086","","","","","","1.089","","","","has coordinates","211129","2020-10-21","18:00:00",""
"4504677","16.829","0.003","16.829","0.003","13.423","0.005","90","","90","","90","","3801.6","1.7","273","2","273","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","3,35,5-Tetrakis(4-cyanophenyl)bimesityl","","- C46 H34 N4 -","- C46 H34 N4 -","- C184 H136 N16 -","4","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Ramalingam; Savitha, Govardhan; Venugopalan, Paloth","Influence of Weaker Interactions on the Self-Assembly of Rigid Molecular Scaffolds Based on Tetraarylbimesityls","Crystal Growth & Design","2006","6","4","919","","10.1021/cg0504410","","","0.71073","MoKα","","0.1695","0.0772","","","0.1754","0.2128","","","","","","1.011","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4505205","9.6903","0.0012","9.6903","0.0012","34.257","0.006","90","","90","","90","","3216.8","0.8","203","2","203","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H26 Br N3 O -","- C10 H26 Br N3 O -","- C80 H208 Br8 N24 O8 -","8","1","","Said, Farouq F.; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin","Strong and Weak Hydrogen-Bonding Interactions in the Structures ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Chlorides and Bromides","Crystal Growth & Design","2005","5","5","1881","","10.1021/cg050172d","","","0.71073","MoKα","","0.1457","0.0585","","","0.0764","0.0922","","","","","","1.026","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4507375","24.3687","0.0014","24.3687","0.0014","47.322","0.006","90","","90","","90","","28101","4","293","2","293","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H184 Ag8 Cl La N12 Ni6 O61 S12 -","- C62 H87 Ag8 Cl La N12 Ni6 O30 S12 -","- C496 H696 Ag64 Cl8 La8 N96 Ni48 O240 S96 -","8","1","","Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization","Crystal Growth & Design","2013","13","2","918","","10.1021/cg301649p","","","0.71073","MoKα","","0.0631","0.0468","","","0.1024","0.1084","","","","","","0.981","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507982","8.299","0.002","8.299","0.002","25.826","0.006","90","","90","","90","","1778.7","0.7","293","2","293","2","","","","","","","synthesis as described","3","P 41 21 2","P 4abw 2nw","92","","","","- C11 H11 O2 -","- C11 H11 O2 -","- C88 H88 O16 -","8","1","","Mahieux, J.; Sanselme, M.; Harthong, S.; Melan, C.; Aronica, C.; Guy, L.; Coquerel, G.","Preparative Resolution of (±)-Bis-tetralone by Means of Autoseeded Preferential Crystallization Induced by Solvent Evaporation (ASPreCISE)","Crystal Growth & Design","2013","13","8","3621","","10.1021/cg400589u","","x-ray","0.71073","MoKα","","0.0426","0.0411","","","0.1149","0.1166","","","","","","1.061","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4508127","14.34228","0.00016","14.34228","0.00016","32.9099","0.0006","90","","90","","90","","6769.6","0.16","100","0.1","100","0.1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C60 H55 Ag2 F6 N18 O6.5 S2 -","- C60 H55 Ag2 F6 N18 O6.5 S2 -","- C240 H220 Ag8 F24 N72 O26 S8 -","4","0.5","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","1.5418","CuKα","","0.056","0.0526","","","0.1431","0.1471","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508765","9.83","0.0018","9.83","0.0018","37.502","0.008","90","","90","","90","","3623.8","1.2","233","2","233","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H29 N3 O4.5 -","- C14 H29 N3 O4.5 -","- C112 H232 N24 O36 -","8","1","","Said, Farouq F.; Ong, Tiow-Gan; Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Linking Hydrogen Dicarboxylate Synthons with Substituted Guanidinium Cations: Transforming Rings and Chains into Two- and Three-Dimensional Structures","Crystal Growth & Design","2006","6","8","1848","","10.1021/cg060167p","","","0.71073","MoKα","","0.0837","0.0768","","","0.2237","0.2326","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509469","16.8687","0.0005","16.8687","0.0005","28.5613","0.0009","90","","90","","90","","8127.2","0.4","150","1","150","1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C57 H54 Cd2 Cl16 N10 O19 S5 -","- C57 H50 Cd2 Cl16 N10 O19 S5 -","- C228 H200 Cd8 Cl64 N40 O76 S20 -","4","0.5","","Tzeng, Biing-Chiau; Yeh, Hsien-Te; Chang, Tsung-Yi; Lee, Gene-Hsiang","Novel Coordinated-Solvent Induced Assembly of Cd(II) Coordination Polymers Containing 4,4′-Dipyridylsulfide","Crystal Growth & Design","2009","9","6","2552","","10.1021/cg900119a","","","0.71073","MoKα","","0.0407","0.0364","","","0.0853","0.0872","","","","","","1.059","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509488","13.4503","0.0003","13.4503","0.0003","21.212","0.0008","90","","90","","90","","3837.48","0.19","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C17 H24 N4 O5 Zn -","- C17 H24 N4 O5 Zn -","- C136 H192 N32 O40 Zn8 -","8","1","","Basu, Tannistha; Sparkes, Hazel A.; Bhunia, Manas Kumar; Mondal, Raju","Identification of Reaction Conditions That Can Reproducibly Lead to a Particular Vertex Geometry: Quest for a Robust and Reproducible Metal-Carboxylate Noncluster-type SBU","Crystal Growth & Design","2009","9","8","3488","","10.1021/cg900195f","","","0.71073","MoKα","","0.0325","0.0266","","","0.061","0.0634","","","","","","1.044","","","","has coordinates,has disorder","179630","2020-10-21","18:00:00",""
"4510442","23.139","0.002","23.139","0.002","10.5768","0.0019","90","","90","","90","","5663","1.2","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C43 H58 Ag2 N16 O4 -","- C43 H58 Ag2 N16 O4 -","- C172 H232 Ag8 N64 O16 -","4","0.5","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1005","0.0785","","","0.1793","0.1906","","","","","","1.028","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4511559","9.631","0.003","9.631","0.003","12.325","0.004","90","","90","","90","","1143.2","0.6","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C6 H8 Cl2 N6 Zn -","- C6 H8 Cl2 N6 Zn -","- C24 H32 Cl8 N24 Zn4 -","4","0.5","","Yi, Long; Yang, Xing; Lu, Tongbu; Cheng, Peng","Self-Assembly of Right-Handed Helical Infinite Chain, One- and Two-Dimensional Coordination Polymers Tuned via Anions","Crystal Growth & Design","2005","5","3","1215","","10.1021/cg049587+","","","0.71073","MoKα","","0.0571","0.0493","","","0.162","0.1685","","","","","","1.125","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4512828","6.8566","0.0004","6.8566","0.0004","25.535","0.002","90","","90","","90","","1200.48","0.14","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","dibromoimidazole","4,5-dibromo-1H-imidazole","","- C3 H2 Br2 N2 -","- C3 H2 Br2 N2 -","- C24 H16 Br16 N16 -","8","1","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.2279","0.0766","","","0.1659","0.2121","","","","","","0.888","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512829","6.8867","0.0004","6.8867","0.0004","28.275","0.003","90","","90","","90","","1340.99","0.18","296","","296.1","0.7","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","diiodoimidazole","4,5-diiodo-1H-imidazole","","- C3 H2 I2 N2 -","- C3 H2 I2 N2 -","- C24 H16 I16 N16 -","8","1","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.2999","0.0803","","","0.1297","0.1923","","","","","","0.984","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4513219","14.5165","0.0002","14.5165","0.0002","37.1387","0.001","90","","90","","90","","7826.2","0.3","293","","293","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C43 H38 N O3.5 P Pd S -","- C43 H38 N O3.5 P Pd S -","- C344 H304 N8 O28 P8 Pd8 S8 -","8","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0649","0.0523","","0.0505","0.0457","0.0442","","","","","","1.0811","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4514788","7.262","0.0002","7.262","","41.516","0.001","90","","90","","90","","2189.41","0.08","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C11 H11 F3 O2 -","- C11 H11 F3 O2 -","- C88 H88 F24 O16 -","8","1","","Kerdphon, Sutthichat; Ponra, Sudipta; Yang, Jianping; Wu, Haibo; Eriksson, Lars; Andersson, Pher G.","Diastereo- and Enantioselective Synthesis of Structurally Diverse Succinate, Butyrolactone, and Trifluoromethyl Derivatives by Iridium-Catalyzed Hydrogenation of Tetrasubstituted Olefins","ACS Catalysis","2019","9","7","6169","","10.1021/acscatal.9b01508","","","1.54184","CuKα","","0.0285","0.0281","","","0.0777","0.078","","","","","","1.11","","","","has coordinates","219948","2020-10-21","18:00:00",""
"4514803","9.0322","0.0001","9.0322","0.0001","68.9818","0.0006","90","","90","","90","","5627.58","0.1","294.15","","294.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H36 B N3 O3 -","- C30 H36 B N3 O3 -","- C240 H288 B8 N24 O24 -","8","1","","Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang","Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand","ACS Catalysis","2019","9","7","6502","","10.1021/acscatal.9b01350","","x-ray","1.54184","CuKα","","0.0617","0.0584","","","0.1624","0.1657","","","","","","1.033","","","","has coordinates,has disorder","219964","2020-10-21","18:00:00",""
"4515593","12.0633","0.0003","12.0633","0.0003","21.8421","0.0007","90","","90","","90","","3178.53","0.15","100","1","100","1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C31 H45 Cl2 Co Li N2 O2 -","- C31 H45 Cl2 Co Li N2 O2 -","- C124 H180 Cl8 Co4 Li4 N8 O8 -","4","0.5","","Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme","Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines","ACS Catalysis","2018","8","5","4446","","10.1021/acscatal.8b00631","","x-ray","0.71073","MoKα","","0.0346","0.0293","","","0.0702","0.0726","","","","","","1.084","","","","has coordinates","225742","2020-10-21","18:00:00",""
"4515795","11.3157","0.0004","11.3157","0.0004","31.5787","0.0014","90","","90","","90","","4043.5","0.3","100","","99.97","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C40 H32 N12 Ni2 -","- C40 H32 N12 Ni2 -","- C160 H128 N48 Ni8 -","4","0.5","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C–H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.02","0.0196","","","0.0534","0.0536","","","","","","1.047","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4517292","9.2782","0.0001","9.2782","0.0001","39.8985","0.0013","90","","90","","90","","3434.66","0.12","296","2","296","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H23 N O -","- C18 H23 N O -","- C144 H184 N8 O8 -","8","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0873","0.0735","","","0.2262","0.2407","","","","","","1.062","","","","has coordinates","246429","2020-10-21","18:00:00",""
"4517426","7.97639","0.00005","7.97639","0.00005","34.7863","0.0003","90","","90","","90","","2213.2","0.03","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond","C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles","ACS Catalysis","2020","","","2929","2941","10.1021/acscatal.9b04551","","","1.54184","CuKα","","0.0268","0.0265","","","0.0663","0.0665","","","","","","1.058","","","","has coordinates","257056","2020-10-21","18:00:00",""
"4517487","14.5374","0.0008","14.5374","0.0008","29.782","0.003","90","","90","","90","","6294","0.8","296","2","296","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C16 H16 Cl Cu12 Mo12 N24 O42 P V2 -","- C16 H16 Cl Cu12 Mo12 N24 O42 P V2 -","- C64 H64 Cl4 Cu48 Mo48 N96 O168 P4 V8 -","4","0.5","","Yang, Xiya; Sha, Jingquan; Li, Wenjing; Tan, Zenglong; Hou, Liran; Jiang, Jianzhuang","Ternary Cross-Vanadium Tetra-Capped POMOFs@PPy/RGO Nanocomposites with Hybrid Battery-Supercapacitor Behavior for Enhancing Lithium Battery Storage","ACS Sustainable Chemistry & Engineering","2020","8","11","4667","4675","10.1021/acssuschemeng.0c01162","","","0.71073","MoKα","","0.108","0.0947","","","0.2358","0.245","","","","","","1.116","","","","has coordinates","257094","2020-10-21","18:00:00",""
"4518582","7.4865","0.0002","7.4865","0.0002","59.274","0.0019","90","","90","","90","","3322.17","0.16","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","1","","Zhang, Xiao-Yu; Wu, Xiao-Yun; Zhang, Bo; Wei, Yin; Shi, Min","Silyl Radical-Mediated Carbocyclization of Acrylamide-/Vinyl Sulfonamide-Attached Alkylidenecyclopropanes via Photoredox Catalysis with a Catalytic Amount of Silane Reagent","ACS Catalysis","2021","","","4372","4380","10.1021/acscatal.1c00240","","","0.71073","MoKα","","0.0786","0.0684","","","0.175","0.1823","","","","","","1.098","","","","has coordinates","263327","2021-03-25","22:27:16",""
"5000351","13.622","0.0011","13.622","0.0011","34.616","0.003","90","","90","","90","","6423.3","1.8","99","2","99","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C54 H61 B F24 O2 P2 Ru -","- C57 H61 B F24 O2 P2 Ru -","- C228 H244 B4 F96 O8 P8 Ru4 -","4","0.5","","","","","","","","","","","","","0.71073","MoKα","","0.1083","0.0663","","","0.1439","0.1574","","","","","","1.314","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"5900020","6.01","","6.01","","29.4","","90","","90","","90","","1061.93","","","","","","","","","","","","","4","P 41 21 2","","92","","2,2- Diiodide diethylene trisulfide","","- C4 H8 I2 S3 -","- C4 I2 S4 -","- C16 I8 S16 -","4","0.5","","","","J. Am. Chem. Soc.","1950","72","","2701","","10.1021/ja01162a098","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"6000211","9.214","","9.214","","49.452","","90","","90","","90","","4198.37","","","","","","","","","","","","","4","P 41 21 2","","","","","","- C23 H29 F O6 -","","","","","","Valente, E. J.; Zubkowski, J. D.; Lee, K. S.; Driessen, R. A. J.; Goubitz, K.; Numan, M.; Schenk, H.; Lee, H. J.; Ko, D. H.","9α-fluoro-11β,17α,21-trihydroxy-1,4-pregnadiene-3,20-dione-21-acetate (9-fluoroprednisolone-21-acetate)","Journal of Chemical Crystallography","1997","27","4","219","222","10.1007/BF02575958","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000136","10.7004","0.0015","10.7004","0.0015","34.398","0.007","90","","90","","90","","3938.5","1.1","223","2","223","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","calix(4)phyrin (4)","","","- C48 H48 Fe2 N4 O Zn -","- C48 H48 Fe2 N4 O Zn -","- C192 H192 Fe8 N16 O4 Zn4 -","4","0.5","","Bucher, Christophe; Devillers, Charles H.; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Thomas, Fabrice","Calix[4]phyrin based redox architectures: towards new molecular tools for electrochemical sensing.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3620","3631","10.1039/b507144e","","","0.71073","MoKα","","0.0342","0.0312","","","0.0719","0.0727","","","","","","1.162","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000865","9.2473","0.0001","9.2473","0.0001","23.1554","0.0009","90","","90","","90","","1980.08","0.08","120","2","120","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C23 H25 N3 O5 -","- C23 H25 N3 O5 -","- C92 H100 N12 O20 -","4","0.5","","Reed, Julie E.; White, Andrew J. P.; Neidle, Stephen; Vilar, Ramón","Effect of metal coordination on the interaction of substituted phenanthroline and pyridine ligands with quadruplex DNA","Dalton Transactions","2009","","14","2558","2568","10.1039/b820086f","","","0.71073","MoKα","","0.0648","0.0483","","","0.1019","0.1086","","","","","","1.039","","","","has coordinates","179686","2020-10-21","18:00:00",""
"7001071","22.138","0.003","22.138","0.003","14.532","0.003","90","","90","","90","","7122","2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C76 H68 Br4 O2 P4 Pd4 -","- C76 H68 Br4 O2 P4 Pd4 -","- C304 H272 Br16 O8 P16 Pd16 -","4","0.5","","Koshevoy, Igor O.; Gutierrez-Puebla, Enrique; Lahuerta, Pascual; Monge, Angeles; Ubeda, M.Angeles; Sanaú, Mercedes","Isolation of enantiomerically pure organometallic palladium compounds: synthesis of the triangles prepared from enantiopure [cis-Pd2(C6H4PPh2)2(NCCH3)4]2+","Dalton Transactions","2009","","16","2993","2998","10.1039/b816803b","","","0.71073","MoKα","","0.0735","0.056","","","0.1321","0.1397","","","","","","1.057","","","","has coordinates","179688","2020-10-21","18:00:00",""
"7003358","18.8646","0.0002","18.8646","0.0002","33.0288","0.0003","90","","90","","90","","11754.1","0.2","295","","295","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C54 H62 Cl2 Cu4 N8 O18 -","- C54 H54 Cl2 Cu4 N8 O18 -","- C432 H432 Cl16 Cu32 N64 O144 -","8","1","","Paital, Alok Ranjan; Bertolasi, Valerio; Aromí, Guillem; Ribas-Ariño, Jordi; Ray, Debashis","A novel [CuII4] cluster from the assembly of two [CuII2L]+ units by a central µ4-1,1,2,2 perchlorate ligand","Dalton Transactions","2008","","7","861","864","10.1039/b715768a","","","0.71073","MoKα","","0.0719","0.0454","","","0.1087","0.1192","","","","","","1.072","","","","has coordinates","179737","2020-10-21","18:00:00",""
"7005749","12.9335","0.0004","12.9335","0.0004","32.623","0.0013","90","","90","","90","","5457","0.3","173.1","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C54 H66 Cl2 Mn2 N10 O12 -","- C54 H66 Cl2 Mn2 N10 O12 -","- C216 H264 Cl8 Mn8 N40 O48 -","4","0.5","","Mikata, Yuji; So, Haruka; Yamashita, Azusa; Kawamura, Ayano; Mikuriya, Masahiro; Fukui, Kôichi; Ichimura, Akio; Yano, Shigenobu","Quinoline-based tetradendate nitrogen ligands stabilize the bis(micro-oxo) dinuclear manganese(iii,iii) core.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3330","3334","10.1039/b705080a","","","0.7107","MoKα","","","0.0503","","","","0.136","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006159","6.6519","0.0002","6.6519","0.0002","56.855","0.003","90","","90","","90","","2515.71","0.17","173","2","173","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","1,2-bis(benzoquinoline imine) cyclohexane","","- C34 H28 N4 -","- C34 H28 N4 -","- C136 H112 N16 -","4","0.5","","Prema, Dipesh; Wiznycia, Alexander V.; Scott, Benjamin M. T.; Hilborn, Jessica; Desper, John; Levy, Christopher J.","Dinuclear zinc(II) complexes of symmetric Schiff-base ligands with extended quinoline sidearms.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4788","4796","10.1039/b709454j","","","0.71073","MoKα","","0.0557","0.0487","","","0.113","0.1178","","","","","","1.127","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006813","10.9088","0.0018","10.9088","0.0018","22.362","0.005","90","","90","","90","","2661.1","0.9","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C14 H16 Mn N10 O0 S2 -","- C14 H16 Mn N10 S2 -","- C56 H64 Mn4 N40 S8 -","4","0.5","","Li, Mingxue; Sun, Qiaozhen; Bai, Yan; Duan, Chunying; Zhang, Bingguang; Meng, Qingjin","Chiral aggregation and spontaneous resolution of thiosemicarbazone metal complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2572","2578","10.1039/b514425f","","","0.71073","MoKα","","0.0511","0.05","","","0.1614","0.1626","","","","","","1.022","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006905","17.393","0.0002","17.393","0.0002","28.006","0.0005","90","","90","","90","","8472.3","0.2","150","1","150","1","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","(Co6(bpyany)4(NCS)2)(PF6)2","","","- C78 H56 Cl8 Co6 F12 N26 P2 S2 -","- C78 H56 Cl8 Co6 F12 N26 P2 S2 -","- C312 H224 Cl32 Co24 F48 N104 P8 S8 -","4","0.5","","Chien, Chih-Hsien; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Fang, Jim-Min; Peng, Shie-Ming","Novel linear hexanuclear cobalt string complexes (Co6(12+)) and one-electron reduction products (Co6(11+)) supported by four bpyany2- ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2106","2113","10.1039/b515311e","","","0.71073","MoKα","","0.0778","0.0502","","","0.1229","0.1369","","","","","","1.019","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7007848","10.7884","0.0014","10.7884","0.0014","14.867","0.004","90","","90","","90","","1730.4","0.6","168","2","168","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","Cmpd2","","","- C20 H28 N2 -","- C20 H28 N2 -","- C80 H112 N8 -","4","0.5","","Fitchett, Christopher M.; Steel, Peter J.","Chiral heterocyclic ligands. XIV. Control of directionality in silver coordination polymers through ligand design.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4886","4888","10.1039/b611622c","","","0.71073","MoKα","","0.0392","0.0379","","","0.1045","0.1063","","","","","","1.07","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7008148","15.016","0.002","15.016","0.002","14.129","0.003","90","","90","","90","","3185.8","0.9","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H35 Cl O P2 Pd -","- C36 H35 Cl O P2 Pd -","- C144 H140 Cl4 O4 P8 Pd4 -","4","0.5","","Olsson, Daniel; Nilsson, Patrik; El Masnaouy, Mostafa; Wendt, Ola F.","A catalytic and mechanistic investigation of a PCP pincer palladium complex in the Stille reaction.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1924","1929","10.1039/b417908k","","","0.71073","MoKα","","0.05","0.0299","","","0.0691","0.074","","","","","","0.993","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008712","21.0783","0.0016","21.0783","0.0016","29.741","0.003","90","","90","","90","","13213.8","1.9","120","2","120","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C69 H100 Cl N2 O3 P Pd -","- C69 H100 Cl N2 O3 P Pd -","- C552 H800 Cl8 N16 O24 P8 Pd8 -","8","1","","Bedford, Robin B.; Betham, Michael; Blake, Michael E.; Frost, Robert M.; Horton, Peter N.; Hursthouse, Michael B.; López-Nicolás, Rosa-María","N-Heterocyclic carbene adducts of orthopalladated triarylphosphite complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2774","2779","10.1039/b506286a","","","0.71073","MoKα","","0.0864","0.0531","","","0.0683","0.075","","","","","","1.033","","","","has coordinates,has disorder","179791","2020-10-21","18:00:00",""
"7008909","17.717","0.0003","17.717","0.0003","29.18","","90","0.1","90","0.1","90","","9159.4","0.2","193","2","193","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C40 H55 Dy2 N11 O16 -","- C40 H49 Dy2 N11 O16 -","- C320 H392 Dy16 N88 O128 -","8","1","","Platas, Carlos; Avecilla, Fernando; de Blas, Andrés; Rodríguez-Blas, Teresa; Geraldes, Carlos F. G. C.; Tóth, Éva; Merbach, André E.; Bünzli, Jean-Claude G.","Mono- and bimetallic lanthanide(III) phenolic cryptates obtained by template reaction: solid state structure, photophysical properties and relaxivity †","Journal of the Chemical Society, Dalton Transactions","2000","","4","611","","10.1039/a906675f","","","0.71073","MoKα","","0.0621","0.0432","","","0.0937","0.1021","","","","","","1.043","","","","has coordinates,has disorder","179793","2020-10-21","18:00:00",""
"7010484","9.0931","0.0007","9.0931","0.0007","38.333","0.003","90","","90","","90","","3169.5","0.4","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C6 H18 N9 O9 Zn1.5 -","- C6 H18 N9 O9 Zn1.5 -","- C48 H144 N72 O72 Zn12 -","8","1","","Harrison, William T. A.; Phillips, Mark L. F.; Nenoff, Tina M.; MacLean, Elizabeth J.; Teat, Simon J.; Maxwell, Robert S.","[CN3H6]2[Zn(CO3)2], the first organically templated open-framework carbonate","Journal of the Chemical Society, Dalton Transactions","2001","","5","546","","10.1039/b009641p","","","0.71073","MoKα","","","0.0305","","","0.0313","","","","","1.0943","1.0943","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010692","13.7029","0.0001","13.7029","0.0001","25.8838","0.0001","90","","90","","90","","4860.19","0.05","218","2","218","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C16.5 H27 B Cl F11 O P Rh -","- C16.5 H27 B Cl F11 O P Rh -","- C132 H216 B8 Cl8 F88 O8 P8 Rh8 -","8","1","","Hughes, Russell P.; Lindner, Danielle C.; Smith, Jeremy M.; Zhang, Donghui; Incarvito, Christopher D.; Lam, Kin-Chung; Liable-Sands, Louise M.; Sommer, Roger D.; Rheingold, Arnold L.","Water, water, everywhere.† Synthesis and structures of perfluoroalkyl rhodium and iridium(III) compounds containing water ligands","Journal of the Chemical Society, Dalton Transactions","2001","","15","2270","","10.1039/b102482p","","","0.71073","MoKα","","0.0641","0.0426","","0.0806","0.0737","","","","1.091","1.12","1.12","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010693","13.7243","0.0004","13.7243","0.0004","26.0997","0.0007","90","","90","","90","","4916","0.2","198","2","198","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C16.5 H27 B Cl F11 Ir O P -","- C16.5 H25 B Cl F11 Ir O P -","- C132 H200 B8 Cl8 F88 Ir8 O8 P8 -","8","1","","Hughes, Russell P.; Lindner, Danielle C.; Smith, Jeremy M.; Zhang, Donghui; Incarvito, Christopher D.; Lam, Kin-Chung; Liable-Sands, Louise M.; Sommer, Roger D.; Rheingold, Arnold L.","Water, water, everywhere.† Synthesis and structures of perfluoroalkyl rhodium and iridium(III) compounds containing water ligands","Journal of the Chemical Society, Dalton Transactions","2001","","15","2270","","10.1039/b102482p","","","0.71073","MoKα","","0.0883","0.0517","","0.1004","0.0868","","","","1.084","1.11","1.11","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7010944","17.302","0.004","17.302","0.004","38.128","0.005","90","","90","","90","","11414","4","180","2","180","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C23 H12 O14 Pt Ru5 -","- C23 H12 O14 Pt Ru5 -","- C368 H192 O224 Pt16 Ru80 -","16","2","","Hermans, Sophie; Khimyak, Tetyana; Johnson, Brian F. G.","High yield synthesis of Ru–Pt mixed-metal cluster compounds","Journal of the Chemical Society, Dalton Transactions","2001","","22","3295","","10.1039/b105844b","","","0.71073","MoKα","","0.0768","0.0433","","0.1101","0.0937","","","","0.694","0.826","0.826","","","","","has coordinates","179813","2020-10-21","18:00:00",""
"7011165","11.2374","0.0001","11.2374","0.0001","9.6576","0.0001","90","","90","","90","","1219.55","0.02","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","structure_3","","","- C4.67 H11.33 Cl4 N2 O2 Pt -","- C4.66 H11.32 Cl4 N2 O2 Pt -","- C18.64 H45.28 Cl16 N8 O8 Pt4 -","4","0.5","","Luzyanin, Konstantin V.; Haukka, Matti; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.","Platinum(iv)-mediated hydrolysis of nitriles giving metal-bound iminols","Journal of the Chemical Society, Dalton Transactions","2002","","9","1882","","10.1039/b108327a","","","0.71073","MoKα","","0.0096","0.0095","","","0.0248","0.0249","","","","","","1.17","","","","has coordinates,has disorder","179815","2020-10-21","18:00:00",""
"7012041","18.1205","0.0016","18.1205","0.0016","35.052","0.006","90","","90","","90","","11509","2","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C50 H66 Cl8 N4 Ni O6 S -","- C46 H58 N4 Ni O6 S -","- C368 H464 N32 Ni8 O48 S8 -","8","1","","Coxall, Robert A.; Lindoy, Leonard F.; Miller, Hamish A.; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; White, David J.","Solvent extraction of metal sulfates by zwitterionic forms of ditopic ligands","Dalton Transactions","2003","","1","55","","10.1039/b207015b","","","1.54184","CuKα","","0.1955","0.1069","","","0.2389","0.2957","","","","","","0.93","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7012386","13.6771","0.0019","13.6771","0.0019","39.271","0.008","90","","90","","90","","7346","2","298","2","298","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","7","","","- C37 H39 F6 O P3 Ru -","- C37 H39 F6 O P3 Ru -","- C296 H312 F48 O8 P24 Ru8 -","8","1","","Duraczyńska, Dorota; Nelson, John H.","Diphenylvinylphosphine (DPVP) complexes containing the (η5-MeC5H4)Ru(ii) moiety: synthesis, characterization and reactions","Dalton Transactions","2003","","3","449","457","10.1039/b210492j","","","0.71073","MoKα","","0.1151","0.0598","","","0.1089","0.1286","","","","","","1.024","","","","has coordinates","179827","2020-10-21","18:00:00",""
"7012492","15.315","0.002","15.315","0.002","13.764","0.003","90","","90","","90","","3228.3","0.9","296.2","","296.2","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C28 H54 Cl3 Co N6 O4 -","- C28 H54 Cl3 Co N6 O4 -","- C112 H216 Cl12 Co4 N24 O16 -","4","0.5","","Walker, Glen W.; Geue, Rodney J.; Haller, Kenneth J.; David Rae, A.; Sargeson, Alan M.","New synthetic routes to hexa-aza cages using cobalt(iii) tris(1,2-diamine) templates","Dalton Transactions","2003","","3","279","","10.1039/b211343k","","","1.5418","CuKα","","0.0681","0.0395","","0.0582","","0.0526","","","1.3","","","1.376","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012925","7.8534","0.0002","7.8534","0.0002","18.4799","0.0008","90","","90","","90","","1139.76","0.06","295","2","295","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H10 Cu N2 O4 -","- C12 H10 Cu N2 O4 -","- C48 H40 Cu4 N8 O16 -","4","0.5","","Manson, Jamie L.; Lecher, Jana G.; Gu, Jiyeong; Geiser, Urs; Schlueter, John A.; Henning, Robert; Wang, Xiaoping; Schultz, Arthur J.; Koo, Hyun-Joo; Whangbo, Myung-Hwan","Cu(HCO2)2L {L = pyrazine, 4,4?-bipyridine}: employing the formate anion as a building block in three-dimensional coordination polymersElectronic supplementary information (ESI) available: Table S1, Exponents and valence shell ionization potentials. See http://www.rsc.org/suppdata/dt/b3/b302631k/","Dalton Transactions","2003","","14","2905","","10.1039/b302631k","","","0.71073","MoKα","","0.0267","0.0228","","","0.062","0.0631","","","","","","1.084","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7014061","12.272","0.003","12.272","0.003","27.26","0.012","90","","90","","90","","4105","2","190","2","190","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C21 H26 Cl N O2 Ru -","- C21 H26 Cl N O2 Ru -","- C168 H208 Cl8 N8 O16 Ru8 -","8","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Arene-ruthenium complexes with salicyloxazolines: diastereoselective synthesis, configurational stability and applications as asymmetric catalysts for Diels-Alder reactions.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1481","1492","10.1039/b400747f","","","0.71073","MoKα","","0.095","0.0637","","","0.1422","0.169","","","","","","1.105","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014120","9.3579","0.0015","9.3579","0.0015","22.554","0.005","90","","90","","90","","1975.1","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","[Zn(L4)2]0.5(H2O)","","","- C12 H17 N6 O4.5 S2 Zn -","- C12 H17 N6 O4.5 S2 Zn -","- C48 H68 N24 O18 S8 Zn4 -","4","0.5","","Casas, José S; Castaño, María V; García-Tasende, María S; Rodríguez-Castellón, Enrique; Sánchez, Agustín; Sanjuán, Luisa M; Sordo, José","Reactions of thiosemicarbazones derived from beta-keto amides and beta-keto esters with Zn(II) and Cd(II) acetates: influence of metal, substitution, reagent ratio and temperature on metal-induced cyclization.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2019","2026","10.1039/b401674b","","","0.71073","MoKα","","0.0418","0.0313","","","0.0823","0.0854","","","","","","1.149","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7014200","15.079","0.001","15.079","0.001","25.97","0.003","90","","90","","90","","5905","0.9","293","2","293","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C57 H48 Br Cl2 N O P4 Pd2 -","- C57 H48 Br Cl2 N O P4 Pd2 -","- C228 H192 Br4 Cl8 N4 O4 P16 Pd8 -","4","0.5","","Besenyei, Gábor; Párkányi, László; Szalontai, Gábor; Holly, Sándor; Pápai, Imre; Keresztury, Gábor; Nagy, Andrea","N-benzoylimido complexes of palladium. Synthesis, structural characterisation and structure-reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2041","2050","10.1039/b403200d","","","1.5418","CuKα","","0.069","0.061","","","0.1501","0.1564","","","","","","1.041","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014701","13.6859","0.0009","13.6859","0.0009","19.184","0.002","90","","90","","90","","3593.2","0.5","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H32 Co N8 O9 S2 -","- C30 H30 Co N8 O9 S2 -","- C120 H120 Co4 N32 O36 S8 -","4","0.5","","Kawade, Vitthal A.; Kumbhar, Anupa A.; Kumbhar, Avinash S.; Näther, Christian; Erxleben, Andrea; Sonawane, Uddhavesh B.; Joshi, Rajendra R.","Mixed ligand cobalt(II) picolinate complexes: synthesis, characterization, DNA binding and photocleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","639","650","10.1039/c0dt01078b","","","0.71073","MoKα","","0.0983","0.0863","","","0.2283","0.2339","","","","","","1.178","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014963","15.5258","0.0004","15.5258","0.0004","33.505","0.0008","90","","90","","90","","8076.4","0.4","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C78 H86 Fe4 N2 O9 P4 S4 -","- C78 H86 Fe4 N2 O9 P4 S4 -","- C312 H344 Fe16 N8 O36 P16 S16 -","4","0.5","","Liu, Yu-Chiao; Tu, Ling-Kuang; Yen, Tao-Hung; Lee, Gene-Hsiang; Chiang, Ming-Hsi","Influences on the rotated structure of diiron dithiolate complexes: electronic asymmetry vs. secondary coordination sphere interaction","Dalton Transactions","2011","40","11","2528","","10.1039/c0dt01332c","","","0.71073","MoKα","","0.0706","0.0487","","","0.1344","0.1466","","","","","","1.068","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7015316","12.2767","0.0005","12.2767","0.0005","42.514","0.002","90","","90","","90","","6407.6","0.5","173","2","173","2","","","","","","","synthesis as described","6","P 41 21 2","P 4abw 2nw","92","","","","- C58 H94 Li6 N4 O6 Si2 -","- C58 H94 Li6 N4 O6 Si2 -","- C232 H376 Li24 N16 O24 Si8 -","4","0.5","","Coles, Martyn P.; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Maron, Laurent","Synthesis and structures of the [benzamidinato]3- complexes Li3(tmeda)(L1)]2 and [Li(thf)4][Li5(L2)(OEt2)2] [L1 = N(SiMe3)C(Ph)N(SiMe3) and L2 = N(SiMe3)C(C6H4-4)NPh].","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3047","3052","10.1039/c0dt01482f","","x-ray","0.71073","MoKα","","0.0987","0.0733","","","0.1877","0.2081","","","","","","1.025","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015682","7.1857","0.0004","7.1857","0.0004","13.1344","0.0008","90","","90","","90","","678.19","0.07","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Gd0.6 Si4 Zr4.4 -","- Gd0.602 Si4 Zr4.398 -","- Gd2.408 Si16 Zr17.592 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.0348","0.0264","","","0.0384","0.0397","","","","","","0.829","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015683","7.3253","0.0009","7.3253","0.0009","13.416","0.002","90","","90","","90","","719.9","0.16","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Gd1.95 Si4 Zr3.05 -","- Gd1.952 Si4 Zr3.048 -","- Gd7.808 Si16 Zr12.192 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.0733","0.0445","","","0.053","0.057","","","","","","0.917","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015684","7.4607","0.0006","7.4607","0.0006","13.7196","0.0014","90","","90","","90","","763.66","0.12","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Gd2.82 Si4 Zr2.18 -","- Gd2.808 Si4 Zr2.192 -","- Gd11.232 Si16 Zr8.768 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.0558","0.0386","","","0.0673","0.0714","","","","","","0.968","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015685","7.6324","0.0008","7.6324","0.0008","14.0623","0.0019","90","","90","","90","","819.18","0.16","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Gd3.81 Si4 Zr1.19 -","- Gd3.812 Si4 Zr1.188 -","- Gd15.248 Si16 Zr4.752 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.078","0.0551","","","0.0973","0.1038","","","","","","1.037","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015686","7.6294","0.0007","7.6294","0.0007","14.0623","0.0015","90","","90","","90","","818.53","0.14","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Gd4.07 Si4 Zr0.93 -","- Gd4.067 Si4 Zr0.933 -","- Gd16.268 Si16 Zr3.732 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.0831","0.0549","","","0.0751","0.0809","","","","","","0.977","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7017069","24.927","0.004","24.927","0.004","46.045","0.01","90","","90","","90","","28610","9","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H183 Ag8 Cl La2 N12 O62 Pd6 S12 -","- C62 H111 Ag8 Cl La2 N12 O62 Pd6 S12 -","- C496 H888 Ag64 Cl8 La16 N96 O496 Pd48 S96 -","8","1","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71073","MoKα","","0.1111","0.0601","","","0.1384","0.1491","","","","","","0.933","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017070","24.4191","0.0005","24.4191","0.0005","47.638","0.0009","90","","90","","90","","28406.2","1","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H184 Ag8 Cl La2 N12 Ni6 O62.5 S12 -","- C62 H111 Ag8 Cl La2 N12 Ni6 O60 S12 -","- C496 H888 Ag64 Cl8 La16 N96 Ni48 O480 S96 -","8","1","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71075","MoKα","","0.127","0.1151","","","0.2553","0.2628","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017071","24.8446","0.0013","24.8446","0.0013","47.2409","0.001","90","","90","","90","","29160","2","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H167 Ag8 Br La2 N12 O54 Pd6 S12 -","- C62 H111 Ag8 Br La2 N12 O54 Pd6 S12 -","- C496 H888 Ag64 Br8 La16 N96 O432 Pd48 S96 -","8","1","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71075","MoKα","","0.111","0.0542","","","0.1299","0.141","","","","","","0.842","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017072","24.614","0.0019","24.614","0.0019","47.332","0.002","90","","90","","90","","28676","3","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H173 Ag8 I La2 N12 O57 Pd6 S12 -","- C62 H111 Ag8 I La2.03 N12 O57 Pd6 S12 -","- C496 H888 Ag64 I8 La16.24 N96 O456 Pd48 S96 -","8","1","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71075","MoKα","","0.1572","0.0723","","","0.1496","0.1806","","","","","","0.955","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017073","24.605","0.0011","24.605","0.0011","46.814","0.002","90","","90","","90","","28341","2","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H162 Ag8 Cl La2 N12 O51.5 Pt6 S12 -","- C62 H111 Ag8 Cl La2.02 N12 O51.5 Pt6 S12 -","- C496 H888 Ag64 Cl8 La16.16 N96 O412 Pt48 S96 -","8","1","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71075","MoKα","","0.1142","0.0671","","","0.1592","0.1828","","","","","","0.978","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017207","24.927","0.004","24.927","0.004","46.045","0.01","90","","90","","90","","28610","9","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H183 Ag8 Cl La2 N12 O62 Pd6 S12 -","- C62 H111 Ag8 Cl La2 N12 O62 Pd6 S12 -","- C496 H888 Ag64 Cl8 La16 N96 O496 Pd48 S96 -","8","1","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71073","MoKα","","0.1111","0.0601","","","0.1384","0.1491","","","","","","0.933","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017208","24.4191","0.0005","24.4191","0.0005","47.638","0.0009","90","","90","","90","","28406.2","1","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H184 Ag8 Cl La2 N12 Ni6 O62.5 S12 -","- C62 H111 Ag8 Cl La2 N12 Ni6 O60 S12 -","- C496 H888 Ag64 Cl8 La16 N96 Ni48 O480 S96 -","8","1","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71075","MoKα","","0.127","0.1151","","","0.2553","0.2628","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017209","24.8446","0.0013","24.8446","0.0013","47.2409","0.001","90","","90","","90","","29160","2","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H167 Ag8 Br La2 N12 O54 Pd6 S12 -","- C62 H111 Ag8 Br La2 N12 O54 Pd6 S12 -","- C496 H888 Ag64 Br8 La16 N96 O432 Pd48 S96 -","8","1","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71075","MoKα","","0.111","0.0542","","","0.1299","0.141","","","","","","0.842","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017210","24.614","0.0019","24.614","0.0019","47.332","0.002","90","","90","","90","","28676","3","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H173 Ag8 I La2 N12 O57 Pd6 S12 -","- C62 H111 Ag8 I La2.03 N12 O57 Pd6 S12 -","- C496 H888 Ag64 I8 La16.24 N96 O456 Pd48 S96 -","8","1","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71075","MoKα","","0.1572","0.0723","","","0.1496","0.1806","","","","","","0.955","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017211","24.605","0.0011","24.605","0.0011","46.814","0.002","90","","90","","90","","28341","2","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H162 Ag8 Cl La2 N12 O51.5 Pt6 S12 -","- C62 H111 Ag8 Cl La2.02 N12 O51.5 Pt6 S12 -","- C496 H888 Ag64 Cl8 La16.16 N96 O412 Pt48 S96 -","8","1","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71075","MoKα","","0.1142","0.0671","","","0.1592","0.1828","","","","","","0.978","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017613","16.1864","0.0017","16.1864","0.0017","50.752","0.007","90","","90","","90","","13297","3","160","2","160","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C100 H222 Mo10 N8 O37 Ti2 -","- C100 H216 Mo10 N8 O37 Ti2 -","- C400 H864 Mo40 N32 O148 Ti8 -","4","0.5","","Coyle, Laura; Middleton, Paul S.; Murphy, Christopher J.; Clegg, William; Harrington, Ross W.; Errington, R. John","Protonolysis of [((i)PrO)TiMo5O18]3-: access to a family of TiMo5 Lindqvist type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","971","981","10.1039/c1dt11256b","","","0.71073","MoKα","","0.0484","0.04","","","0.0874","0.0907","","","","","","1.114","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7018210","9.2048","0.0004","9.2048","0.0004","28.69","0.0017","90","","90","","90","","2430.9","0.2","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C10 H16 N2 S2 -","- C10 H16 N2 S2 -","- C80 H128 N16 S16 -","8","1","","Siemeling, Ulrich; Memczak, Henry; Bruhn, Clemens; Vogel, Florian; Träger, Frank; Baio, Joe E.; Weidner, Tobias","Zwitterionic dithiocarboxylates derived from N-heterocyclic carbenes: coordination to gold surfaces.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2986","2994","10.1039/c2dt11976e","","","0.71073","MoKα","","0.036","0.0338","","","0.0853","0.0862","","","","","","1.027","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018265","22.0466","0.0002","22.0466","0.0002","36.772","0.0007","90","","90","","90","","17873.1","0.4","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C43 H26 In3 O16.5 -","- C43 H26 In3 O16.5 -","- C344 H208 In24 O132 -","8","1","","Yang, Hui; Wang, Fei; Kang, Yao; Li, Tie-Hu; Zhang, Jian","A microporous indium-organic framework with high capacity and selectivity for CO(2) or organosulfurs.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2873","2876","10.1039/c2dt12261h","","","0.71073","MoKα","","0.0831","0.0562","","","0.1588","0.1799","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019240","12.1649","0.0004","12.1649","0.0004","24.8696","0.0017","90","","90","","90","","3680.3","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C38 H34 Br4 O2 Ti2 -","- C38 H34 Br4 O2 Ti2 -","- C152 H136 Br16 O8 Ti8 -","4","0.5","","Wang, Li; Wu, Qiaolin; Xu, Hao; Mu, Ying","Synthesis and structures of (R)-cyclopentadienyl-binaphthoxy titanium(iv) complexes and catalytic properties for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7350","7357","10.1039/c2dt12471h","","","0.71073","MoKα","","0.0676","0.0436","","","0.0772","0.0843","","","","","","1.018","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7020057","15.182","0.0014","15.182","0.0014","23.151","0.002","90","","90","","90","","5336.1","0.8","123","","123","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C24 H27 F6 N2 O3 Sb Sn -","- C24 H28 F6 N2 O3 Sb Sn -","- C192 H224 F48 N16 O24 Sb8 Sn8 -","8","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.0587","0.0583","","","0.1342","0.1344","","","","","","1.074","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020059","15.2143","0.0009","15.2143","0.0009","23.8249","0.0015","90","","90","","90","","5514.9","0.6","123","","123","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C25 H29 F6 N2 O3 Sb Sn -","- C25 H28 F6 N2 O3 Sb Sn -","- C200 H224 F48 N16 O24 Sb8 Sn8 -","8","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.035","0.032","","","0.0735","0.0751","","","","","","1.04","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020060","15.2892","0.0013","15.2892","0.0013","23.565","0.003","90","","90","","90","","5508.5","1","123","","123","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C26 H29 F3 N2 O6 S Sn -","- C26 H28 F3 N2 O6 S Sn -","- C208 H224 F24 N16 O48 S8 Sn8 -","8","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.0374","0.0345","","","0.0786","0.0807","","","","","","1.1","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020061","15.0665","0.0012","15.0665","0.0012","23.9834","0.0019","90","","90","","90","","5444.2","0.7","123","","123","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C25 H29 F6 Ge N2 O3 Sb -","- C25 H28 F6 Ge N2 O3 Sb -","- C200 H224 F48 Ge8 N16 O24 Sb8 -","8","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.0433","0.0391","","","0.0898","0.0925","","","","","","1.08","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7021515","10.4573","0.0015","10.4573","0.0015","17.728","0.004","90","","90","","90","","1938.6","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C15 H10 Co2 N5 Na O9 -","- C15 H10 Co2 N5 Na O9 -","- C60 H40 Co8 N20 Na4 O36 -","4","0.5","","Zhao, Jiong-Peng; Yang, Qian; Han, Song-De; Han, Jie; Zhao, Ran; Hu, Bo-Wen; Bu, Xian-He","A chiral 2p-3d heterometallic azido complex with 2,6-pyridinedicarboxylate as the co-ligand showing magnetic order.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8201","8204","10.1039/c3dt50835h","","","0.71073","MoKα","","0.0377","0.0354","","","0.0633","0.064","","","","","","1.203","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021594","12.6359","0.0001","12.6359","0.0001","22.6693","0.0002","90","","90","","90","","3619.52","0.05","170","2","170","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C28 H64 B2 N2 Si4 U -","- C28 H64 B2 N2 Si4 U -","- C112 H256 B8 N8 Si16 U4 -","4","0.5","","Mansell, Stephen M.; Bonnet, Fanny; Visseaux, Marc; Arnold, Polly L.","Uranium(iv) amido-borohydrides as highly active diene polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9033","9039","10.1039/c3dt50131k","","","0.71073","MoKα","","0.0311","0.0256","","","0.05","0.0515","","","","","","1.089","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021873","11.873","0.005","11.873","0.005","9.961","0.006","90","","90","","90","","1404.2","1.2","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H10 F6 N2 O2 -","- C14 H10 F6 N2 O2 -","- C56 H40 F24 N8 O8 -","4","0.5","","Güden-Silber, Tuba; Klein, Kathrin; Seitz, Michael","4,4'-Bis(trifluoromethyl)-2,2'-bipyridine - a multipurpose ligand scaffold for lanthanoid-based luminescence/(19)F NMR probes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13882","13888","10.1039/c3dt50842k","","","0.71075","MoKα","","0.075","0.0573","","","0.125","0.1352","","","","","","1.108","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7022036","10.2349","0.0004","10.2349","0.0004","68.165","0.006","90","","90","","90","","7140.5","0.7","100","1","100","1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C40 H50 Cl N2 O2.5 Y -","- C40 H50 Cl N2 O2.5 Y -","- C320 H400 Cl8 N16 O20 Y8 -","8","1","","Chapurina, Yulia; Guillot, Régis; Lyubov, Dmitrii; Trifonov, Alexander; Hannedouche, Jérôme; Schulz, Emmanuelle","LiCl-effect on asymmetric intramolecular hydroamination catalyzed by binaphthylamido yttrium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","507","520","10.1039/c2dt31265d","","x-ray","0.71073","MoKα","","0.0616","0.0489","","","0.1028","0.1071","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022532","6.7718","0.0012","6.7718","0.0012","40.619","0.007","90","","90","","90","","1862.7","0.6","173","1","173","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C18 H28.9 Al Cl0.1 N2 -","- C18 H28.9 Al Cl0.1 N2 -","- C72 H115.6 Al4 Cl0.4 N8 -","4","0.5","","Humphries, Terry D.; Munroe, Keelie T.; Decken, Andreas; McGrady, G. Sean","Lewis base complexes of AlH3: structural determination of monomeric and polymeric adducts by X-ray crystallography and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6953","6964","10.1039/c3dt00046j","","x-ray","0.71073","MoKα","","0.0399","0.0316","","","0.0796","0.0867","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022643","19.5078","0.0011","19.5078","0.0011","13.815","0.0008","90","","90","","90","","5257.4","0.5","200","2","200","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H8 O12 Zn2 -","- C18 H7 O12 Zn2 -","- C144 H56 O96 Zn16 -","8","1","","Dau, Phuong V.; Polanco, Luis R.; Cohen, Seth M.","Dioxole functionalized metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","4013","4018","10.1039/c3dt32588a","","","0.71073","MoKα","","0.0533","0.0466","","","0.1169","0.1198","","","","","","1.065","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7023426","10.453","0.005","10.453","0.005","35.841","0.005","90","0.005","90","0.005","90","0.005","3916","3","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C40 H35 Co N11 Ni2 O4 -","- C40 H35 Co N11 Ni2 O4 -","- C160 H140 Co4 N44 Ni8 O16 -","4","0.5","","Ghosh, Soumavo; Mukherjee, Sandip; Seth, Piya; Mukherjee, Partha Sarathi; Ghosh, Ashutosh","Solvent-templated supramolecular isomerism in 2D coordination polymer constructed by Ni(II)2Co(II) nodes and dicyanamido spacers: drastic change in magnetic behaviours.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13554","13564","10.1039/c3dt51326b","","","0.71073","MoKα","","0.0461","0.0393","","","0.0987","0.103","","","","","","1.088","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7024029","10.7396","0.0003","10.7396","0.0003","23.2848","0.0007","90","","90","","90","","2685.65","0.13","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H28 Cl Fe N2 O2 -","- C30 H28 Cl Fe N2 O2 -","- C120 H112 Cl4 Fe4 N8 O8 -","4","0.5","","Becker, Jan M.; Barker, James; Clarkson, Guy J.; van Gorkum, Remy; Johal, Gursharon K.; Walton, Richard I.; Scott, Peter","Chirality and diastereoselection in the mu-oxo diiron complexes L(2)Fe-O-FeL(2) (L = bidentate salicylaldiminato).","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2309","2326","10.1039/b905706d","","","0.71073","MoKα","","0.058","0.0419","","","0.08","0.086","","","","","","1.037","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024035","10.7333","0.0003","10.7333","0.0003","23.1718","0.0007","90","","90","","90","","2669.48","0.13","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H28 Cl Ga N2 O2 -","- C30 H28 Cl Ga N2 O2 -","- C120 H112 Cl4 Ga4 N8 O8 -","4","0.5","","Becker, Jan M.; Barker, James; Clarkson, Guy J.; van Gorkum, Remy; Johal, Gursharon K.; Walton, Richard I.; Scott, Peter","Chirality and diastereoselection in the mu-oxo diiron complexes L(2)Fe-O-FeL(2) (L = bidentate salicylaldiminato).","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2309","2326","10.1039/b905706d","","","0.71073","MoKα","","0.0798","0.0565","","","0.0942","0.1014","","","","","","1.102","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024036","13.5299","0.0002","13.5299","0.0002","16.1972","0.0003","90","","90","","90","","2965.03","0.08","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C34 H36 Cl Ga N2 O2 -","- C34 H36 Cl Ga N2 O2 -","- C136 H144 Cl4 Ga4 N8 O8 -","4","0.5","","Becker, Jan M.; Barker, James; Clarkson, Guy J.; van Gorkum, Remy; Johal, Gursharon K.; Walton, Richard I.; Scott, Peter","Chirality and diastereoselection in the mu-oxo diiron complexes L(2)Fe-O-FeL(2) (L = bidentate salicylaldiminato).","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2309","2326","10.1039/b905706d","","","0.71073","MoKα","","0.038","0.0307","","","0.065","0.0673","","","","","","1.044","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024664","7.2392","0.001","7.2392","0.001","14.87","0.003","90","","90","","90","","779.3","0.2","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- B H9 N2 O8 P2 -","- B H9 N2 O8 P2 -","- B4 H36 N8 O32 P8 -","4","0.5","","Xing, Hongzhu; Li, Yi; Su, Tan; Xu, Jin; Yang, Weiting; Zhu, Enbo; Yu, Jihong; Xu, Ruren","Spontaneous crystallization of a new chiral open-framework borophosphate in the ionothermal system.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1713","1715","10.1039/b919933k","","","0.71073","MoKα","","0.0214","0.0211","","","0.0572","0.0574","","","","","","1.144","","","","has coordinates,has disorder","179951","2020-10-21","18:00:00",""
"7025010","14.203","0.002","14.203","0.002","33.354","0.007","90","","90","","90","","6728.3","1.9","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C68 H110 N6 Sm -","- C68 H110 N6 Sm -","- C272 H440 N24 Sm4 -","4","0.5","","Heitmann, Dennis; Jones, Cameron; Mills, David P.; Stasch, Andreas","Low coordinate lanthanide(II) complexes supported by bulky guanidinato and amidinato ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1877","1882","10.1039/b924367d","","","0.71073","MoKα","","0.0451","0.0367","","","0.0771","0.0799","","","","","","1.036","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025011","14.193","0.002","14.193","0.002","33.38","0.007","90","","90","","90","","6724.1","1.9","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C68 H110 Eu N6 -","- C68 H110 Eu N6 -","- C272 H440 Eu4 N24 -","4","0.5","","Heitmann, Dennis; Jones, Cameron; Mills, David P.; Stasch, Andreas","Low coordinate lanthanide(II) complexes supported by bulky guanidinato and amidinato ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1877","1882","10.1039/b924367d","","","0.71073","MoKα","","0.0314","0.0271","","","0.0594","0.0608","","","","","","1.065","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025328","22.1611","0.0009","22.1611","0.0009","43.735","0.002","90","","90","","90","","21478.9","1.6","100","","100","","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C50 H48 B F4 N3 O9 Pt S2 -","- C50 H48 B F4 N3 O9 Pt S2 -","- C800 H768 B16 F64 N48 O144 Pt16 S32 -","16","2","","Vetter, Cornelia; Pornsuriyasak, Papapida; Schmidt, Jürgen; Rath, Nigam P.; Rüffer, Tobias; Demchenko, Alexei V.; Steinborn, Dirk","Synthesis, characterization and reactivity of carbohydrate platinum(IV) complexes with thioglycoside ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","27","6327","6338","10.1039/b927058b","","","1.54184","CuKα","","0.1755","0.0481","","","0.0785","0.0966","","","","","","0.617","","","","has coordinates,has disorder","179959","2020-10-21","18:00:00",""
"7026391","13.1075","0.0003","13.1075","0.0003","50.615","0.003","90","","90","","90","","8696","0.6","200","2","200","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C42 H42 Cl2 Cu N6 O8 -","- C42 H42 Cl2 Cu N6 O8 -","- C336 H336 Cl16 Cu8 N48 O64 -","8","1","","Min, Kil Sik; Park, A. Hyun; Shin, Jong Won; Rowthu, Sankara Rao; Kim, Seog K.; Ryoo, Jae Jeong","Synthesis and characterization of enantiopure copper(II) complexes using chiral bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8741","8747","10.1039/c0dt00380h","","","0.71073","MoKα","","0.2593","0.0858","","","0.177","0.2433","","","","","","0.938","","","","has coordinates","179969","2020-10-21","18:00:00",""
"7027837","12.731","0.002","12.731","0.002","14.653","0.004","90","","90","","90","","2374.9","0.8","298","2","298","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","bis(1,2-diphenylethane-1,2-diol)diboron","","- C28 H24 B2 O4 -","- C28 H24 B2 O4 -","- C112 H96 B8 O16 -","4","0.5","","Clegg, William; Johann, Thorsten R. F.; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Peakman, Torren M.; Quayle, Michael J.; Rice, Craig R.; Scott, Andrew J.","Platinum-catalysed 1,4-diboration of 1,3-dienes","Journal of the Chemical Society, Dalton Transactions","1998","","9","1431","","10.1039/a800108a","","","0.71073","MoKα","","0.0506","0.0384","","0.0974","0.0888","","","","1.092","1.09","1.09","","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7029140","7.5161","0.0006","7.5161","0.0006","29.023","0.002","90","","90","","90","","1639.6","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","Kuwar 1948","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","0.5","","Tayade, Kundan; Gallucci, Judith; Sharma, Hemant; Attarde, Sanjay; Patil, Rahul; Singh, Narinder; Kuwar, Anil","Exploration of selective recognition of iodide with dipodal sensor: 2,2'-[ethane-1,2-diylbis(iminoethane-1,1-diyl)]diphenol.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3584","3588","10.1039/c3dt52690a","","x-ray","0.71073","MoKα","","0.0807","0.059","","","0.1365","0.1539","","","","","","1.041","","","","has coordinates","296814","2024-12-10","08:46:16",""
"7029953","19.248","0.006","19.248","0.006","23.08","0.014","90","","90","","90","","8551","6","120","2","120","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C22 H38 Cl4 N4 O4 Pt2 S2 -","- C22 H38 Cl4 N4 O4 Pt2 S2 -","- C176 H304 Cl32 N32 O32 Pt16 S16 -","8","1","","Marshall, Paul; Jenkins, Robert L.; Clegg, William; Harrington, Ross W.; Callear, Samantha K.; Coles, Simon J.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Ag(I) and Pt(II) complexes of ditopic NHC ligands: synthesis, structural and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12839","12846","10.1039/c2dt31740k","","","0.6889","synchrotron","","0.0694","0.053","","","0.1377","0.1457","","","","","","0.982","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7030019","8.9","0.005","8.9","0.005","42.382","0.014","90","","90","","90","","3357","3","298","2","298","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C12 H22 Au N2 P Se -","- C12 H22 Au N2 P Se -","- C96 H176 Au8 N16 P8 Se8 -","8","1","","Sharma, Rakesh K.; Wadawale, Amey; Kedarnath, G.; Manna, Debashree; Ghanty, Tapan K.; Vishwanadh, B.; Jain, Vimal K.","Synthesis, structures and DFT calculations of 2-(4,6-dimethyl pyrimidyl)selenolate complexes of Cu(i), Ag(i) and Au(i) and their conversion into metal selenide nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6525","6535","10.1039/c4dt00012a","","","0.71069","MoKα","","0.1921","0.0422","","","0.0818","0.119","","","","","","1.003","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7033726","14.0744","0.0006","14.0744","0.0006","12.4525","0.0011","90","","90","","90","","2466.7","0.3","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C21 H39 N5 Pt -","- C21 H39 N5 Pt -","- C84 H156 N20 Pt4 -","4","0.5","","Janzen, Daron E.; Mann, Kent R.","Heteroleptic platinum(ii) isocyanide complexes: convenient synthetic access, polymorphs, and vapoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4223","4237","10.1039/c4dt03820g","","","0.71073","MoKα","","0.022","0.019","","","0.0412","0.042","","","","","","1.034","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7034302","14.3061","0.0002","14.3061","0.0002","15.3464","0.0002","90","","90","","90","","3140.86","0.07","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C34 H44 Ni O2 P2 -","- C34 H44 Ni O2 P2 -","- C136 H176 Ni4 O8 P8 -","4","0.5","","Wilson, Gleason L. O.; Abraha, Medhanei; Krause, Jeanette A.; Guan, Hairong","Reactions of phenylacetylene with nickel POCOP-pincer hydride complexes resulting in different outcomes from their palladium analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12128","12136","10.1039/c5dt00161g","","","1.54178","CuKα","","0.0408","0.036","","","0.0906","0.094","","","","","","1.048","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034322","7.8882","0.0002","7.8882","0.0002","38.0767","0.0007","90","","90","","90","","2369.27","0.1","298","","298","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","copper(II) hexafluoroacetylacetonate bipyridine [Cu(hfacac)2(bpy)]","","","- C20 H10 Cu F12 N2 O4 -","- C20 H10 Cu F12 N2 O4 -","- C80 H40 Cu4 F48 N8 O16 -","4","0.5","","López-Periago, A; Vallcorba, O.; Frontera, C.; Domingo, C.; Ayllón, J A","Exploring a novel preparation method of 1D metal organic frameworks based on supercritical CO2.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7548","7553","10.1039/c5dt00521c","powder diffraction","","0.61978","Synchrotron","","","","","","","","","0.028","5.309","","","","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7035082","8.1172","0.0011","8.1172","0.0011","16.652","0.003","90","","90","","90","","1097.2","0.3","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C10 H8 Co N8 -","- C10 H8 Co N8 -","- C40 H32 Co4 N32 -","4","0.5","","Zhao, Jiong-Peng; Zhao, Cui; Song, Wei-Chao; Wang, Lei; Xie, Yabo; Li, Jian-Rong; Bu, Xian-He","4-Substituent pyridine directed cobalt(ii) azides: solvothermal synthesis, structure, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10289","10296","10.1039/c5dt00568j","","","0.71073","MoKα","","0.0301","0.0263","","","0.0534","0.0545","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035226","8.2128","0.0018","8.2128","0.0018","20.989","0.007","90","","90","","90","","1415.7","0.6","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C6 H16 N2 O6 P2 Pb -","- C6 H16 N2 O6 P2 Pb -","- C24 H64 N8 O24 P8 Pb4 -","4","0.5","","Burt, Jennifer; Grantham, William; Levason, William; Reid, Gillian","Lead(ii) nitrate and hexafluorosilicate complexes with neutral diphosphine coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11533","11541","10.1039/c5dt01448d","","","0.71073","MoKα","","0.0294","0.0255","","","0.0554","0.0562","","","","","","0.951","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035521","26.8901","0.0002","26.8901","0.0002","13.2591","0.0003","90","","90","","90","","9587.4","0.2","173","2","173.15","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C41 H52 Br Cd N4 O5.5 Ti -","- C41 H52 Br Cd N4 O5.5 Ti -","- C328 H416 Br8 Cd8 N32 O44 Ti8 -","8","1","","Du, Xia; Li, Zijian; Liu, Yan; Yang, Shiping; Cui, Yong","Chiral porous metal-organic frameworks containing μ-oxo-bis[Ti(salan)] units for asymmetric cyanation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12999","13002","10.1039/c5dt01682g","","","1.54178","CuKα","","0.0775","0.0672","","","0.1965","0.2117","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035763","13.0082","0.0004","13.0082","0.0004","38.517","0.003","90","","90","","90","","6517.6","0.6","298","2","298","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C27 H45 F6 Fe2 O2 P S2 -","- C27 H45 F6 Fe2 O2 P S2 -","- C216 H360 F48 Fe16 O16 P8 S16 -","8","1","","Dong, Xiaoliang; Liu, Litao; Zhou, Yuhan; Liu, Jun; Zhang, Yixin; Chen, Yanhui; Qu, Jingping","Synthesis of carboxylate-bridged iron-thiolate clusters from alcohols/aldehydes or carboxylate salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14952","14958","10.1039/c5dt01445j","","","0.71073","MoKα","","0.0574","0.0471","","","0.129","0.1355","","","","","","1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036803","9.4921","0.0004","9.4921","0.0004","43.0304","0.0017","90","","90","","90","","3877","0.3","103","2","103","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C49 H39 N O2 P2 Pt -","- C49 H39 N O2 P2 Pt -","- C196 H156 N4 O8 P8 Pt4 -","4","0.5","","Jia, Yu-Xiang; Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Xu, Kai; Hirao, Hajime; Leung, Pak-Hing","Computational and carbon-13 NMR studies of Pt-C bonds in P-C-P pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2095","2101","10.1039/c5dt02049b","","","0.71073","MoKα","","0.0336","0.0294","","","0.0555","0.0564","","","","","","1.18","","","","has coordinates","176087","2020-10-21","18:00:00",""
"7038604","13.6871","0.0003","13.6871","0.0003","25.6258","0.0006","90","","90","","90","","4800.65","0.19","123","","123","","","","","","","","see text","7","P 41 21 2","P 4abw 2nw","92","","","","- C32 H32 F24 Fe2 N16 O P4 -","- C32 H32 F24 Fe2 N16 O P4 -","- C128 H128 F96 Fe8 N64 O4 P16 -","4","0.5","","Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; D'Elia, Valerio; Högerl, Manuel P; Basset, Jean-Marie; Kühn, Fritz E","Binding of molecular oxygen by an artificial heme analogue: investigation on the formation of an Fe-tetracarbene superoxo complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6449","6455","10.1039/c6dt00538a","","x-ray","0.71073","MoKα","","0.0427","0.0393","","","0.0952","0.0973","","","","","","1.088","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7038689","26.0104","0.0006","26.0104","0.0006","14.1858","0.0008","90","","90","","90","","9597.3","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C56 H64 Cl4 Cu8 N4 O32 -","- C56 H64 Cl4 Cu8 N4 O32 -","- C224 H256 Cl16 Cu32 N16 O128 -","4","0.5","","Xu, Mei-Yu; Wang, Ya-Ting; Ni, Qing-Ling; Zhang, Zi-Hao; Wang, Xiu-Jian; Liang, Guang-Ming; Gui, Liu-Cheng","Aggregation of the metallocycles {Cu8} and {Cu20} using [Cu(bp)] units (H2bp = bis(2-hydroxybenzyl)amine): structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4993","4997","10.1039/c6dt00174b","","","0.71073","MoKα","","0.1893","0.0997","","","0.2679","0.3207","","","","","","0.971","","","","has coordinates","181659","2020-10-21","18:00:00",""
"7041259","7.7613","0.0004","7.7613","0.0004","35.852","0.003","90","","90","","90","","2159.6","0.2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C18 H10 Cd Cl4 N8 O2 -","- C18 H10 Cd Cl4 N8 O2 -","- C72 H40 Cd4 Cl16 N32 O8 -","4","0.5","","Zhang, Shu-Hua; Wang, Ji-Ming; Zhang, Hai-Yang; Fan, Yi-Peng; Xiao, Yu","Highly efficient electrochemiluminescence based on 4-amino-1,2,4-triazole Schiff base two-dimensional Zn/Cd coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","410","419","10.1039/c6dt04059d","","","0.71073","MoKα","","0.0887","0.0787","","","0.2148","0.2216","","","","","","1.002","","","","has coordinates","191588","2020-10-21","18:00:00",""
"7041414","12.5474","0.0001","12.5474","0.0001","49.8245","0.0005","90","","90","","90","","7844.23","0.12","180","2","180","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C27 H63 Cl O10 Ti3 -","- C27 H63 Cl O10 Ti3 -","- C216 H504 Cl8 O80 Ti24 -","8","1","","Hanf, Schirin; Matthews, Peter D.; Li, Ning; Luo, He-Kuan; Wright, Dominic S.","The influence of halides in polyoxotitanate cages; dipole moment, splitting and expansion of d-orbitals and electron-electron repulsion.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","578","585","10.1039/c6dt04288k","","","0.7107","MoKα","","0.097","0.0598","","","0.1507","0.1671","","","","","","1.05","","","","has coordinates,has disorder","191593","2020-10-21","18:00:00",""
"7041548","10.3994","0.0004","10.3994","0.0004","18.7146","0.0009","90","","90","","90","","2023.94","0.15","100","","99.99","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","MoO2(R-AMD)2 (AMD = N,N?-di-R-acetamidinate) R = isopropyl","","- C16 H34 Mo N4 O2 -","- C16 H34 Mo N4 O2 -","- C64 H136 Mo4 N16 O8 -","4","0.5","","Jurca, T.; Peters, A. W.; Mouat, A. R.; Farha, O. K.; Hupp, J. T.; Lohr, T. L.; Delferro, M.; Marks, T. J.","Second-generation hexavalent molybdenum oxo-amidinate precursors for atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1172","1178","10.1039/c6dt03952a","","","0.71073","MoKα","","0.0358","0.0257","","","0.0537","0.0564","","","","","","1.026","","","","has coordinates,has disorder","191608","2020-10-21","18:00:00",""
"7043481","13.61144","0.00009","13.61144","0.00009","24.0699","0.0003","90","","90","","90","","4459.46","0.07","179.9","0.3","179.9","0.3","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H20 Cl6 Cr2 N6 -","- C30 H20 Cl6 Cr2 N6 -","- C120 H80 Cl24 Cr8 N24 -","4","0.5","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","x-ray","1.5418","CuKα","","0.0358","0.0338","","","0.0902","0.0917","","","","","","1.06","","","","has coordinates","198191","2020-10-21","18:00:00",""
"7043903","12.1768","0.0003","12.1768","0.0003","30.2213","0.0017","90","","90","","90","","4481","0.3","173","0.1","173","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C44 H52 N7 O11 Tb -","- C44 H52 N7 O11 Tb -","- C176 H208 N28 O44 Tb4 -","4","0.5","","Larionov, Stanislav V.; Bryleva, Yuliya; Glinskaya, Ludmila Alexsandrovna; Plyusnin, Victor F.; Kupryakov, Arkady S.; Agafontsev, Alexander; Tkachev, Alexey V.; Bogomyakov, Artem Stepanovich; Piryazev, Dmitry A.; Korolkov, Ilya V.","Ln(III) complexes (Ln = Eu, Gd, Tb, Dy) with chiral ligand containing 1,10-phenanthroline and (‒)-menthol fragments: synthesis, structure, magnetic properties and photoluminescence","Dalton Trans.","2017","","","","","10.1039/C7DT01536D","","","0.71073","MoKα","","0.0724","0.0439","","","0.0556","0.0627","","","","","","0.977","","","","has coordinates","199488","2020-10-21","18:00:00",""
"7044726","17.9561","0.0001","17.9561","0.0001","14.8394","0.0001","90","","90","","90","","4784.54","0.05","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C54 H58 O2 P2 Pd S2 -","- C54 H58 O2 P2 Pd S2 -","- C216 H232 O8 P8 Pd4 S8 -","4","0.5","","Martyanov, Konstantin A.; Cherkasov, Vladimir Kuz'mich; Abakumov, Gleb Arsent'evich; Baranov, Evgeny V.; Shavyrin, Andrey; Kuropatov, Viacheslav","Regioisomerism in coordination chemistry: oxidative addition of bifunctional ligand to palladium, stabilized with 1,2-bis(diphenylphosphino)ethane","Dalton Transactions","2017","","","","","10.1039/C7DT03891G","","","0.71073","MoKα","","0.0255","0.0219","","","0.0487","0.0499","","","","","","1.094","","","","has coordinates,has disorder","203025","2020-10-21","18:00:00",""
"7044740","10.4271","0.0002","10.4271","0.0002","34.2548","0.0011","90","","90","","90","","3724.33","0.16","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C12 H22 Cs4 Mo5 O27 P2 -","- C12 H10 Cs4 Mo5 O27 P2 -","- C48 H40 Cs16 Mo20 O108 P8 -","4","0.5","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Syntheses and characterization of phosphonates and diphosphonates of molybdenum, A4[(MoO3)5(O3PR)2]·xH2O, A2[Mo2O5(O3PR)2] and A2[Mo2O5(O3P-R-PO3)] (A = K, Rb, Cs, Tl, NH4)","Dalton Transactions","2017","","","","","10.1039/C7DT03012F","","","0.71073","MoKα","","0.0316","0.0309","","","0.0653","0.0656","","","","","","1.146","","","","has coordinates","203098","2020-10-21","18:00:00",""
"7045490","19.7785","0.001","19.7785","0.001","35.613","0.002","90","","90","","90","","13931.4","1.3","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","'compound 7'","","- C66.5 H77 Au4 Cl5 Fe4 N4 O4 -","- C66.5 H77 Au4 Cl5 Fe4 N4 O4 -","- C532 H616 Au32 Cl40 Fe32 N32 O32 -","8","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0316","0.0244","","","0.0538","0.0561","","","","","","1.037","","","","has coordinates,has disorder","229993","2020-10-21","18:00:00",""
"7046113","17.3875","0.0012","17.3875","0.0012","18.3017","0.0009","90","","90","","90","","5533.1","0.6","177","30","177","30","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C23 H13 Mn N3 O4 -","- C23 H13 Mn N3 O4 -","- C184 H104 Mn8 N24 O32 -","8","1","","Kang, Xiao-Min; Wang, Wen-Min; Yao, Lin-Hong; Ren, Hong-Xia; Zhao, Bin","Solvent-dependent variations of both structure and catalytic performance in three manganese coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6986","6994","10.1039/c8dt01103f","","x-ray","0.71073","MoKα","","0.1021","0.0676","","","0.1181","0.1324","","","","","","0.98","","","","has coordinates","229698","2020-10-21","18:00:00",""
"7046294","13.8177","0.0005","13.8177","0.0005","16.3601","0.0011","90","","90","","90","","3123.6","0.3","295.15","","295.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H32 Br3 N3 O8 Pb2 -","- C22 H32 Br3 N3 O8 Pb2 -","- C88 H128 Br12 N12 O32 Pb8 -","4","0.5","","Liu, Shao-Xian; Yuan, Guo-Jun; Zhai, Lu; Wang, Lifeng; Luo, Hong-Bin; Ren, Xiao-Ming","Dual emissions and thermochromic luminescences of isomorphic chiral twofold interpenetrated 3-D nets built from I<sup>1</sup>O<sup>2</sup> type hybrid inorganic-organic frameworks of [NH<sub>2</sub>(CH<sub>3</sub>)<sub>2</sub>]<sub>3</sub>[Pb<sub>2</sub>X<sub>3</sub>(BDC)<sub>2</sub>] (X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14233","14240","10.1039/c8dt01469h","","","0.71076","MoKα","","0.0336","0.0269","","","0.05","0.0517","","","","","","1.074","","","","has coordinates","229734","2020-10-21","18:00:00",""
"7046295","13.919","0.001","13.919","0.001","17.003","0.003","90","","90","","90","","3294.1","0.7","278.15","","278.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H32 I3 N3 O8 Pb2 -","- C22 H32 I3 N3 O8 Pb2 -","- C88 H128 I12 N12 O32 Pb8 -","4","0.5","","Liu, Shao-Xian; Yuan, Guo-Jun; Zhai, Lu; Wang, Lifeng; Luo, Hong-Bin; Ren, Xiao-Ming","Dual emissions and thermochromic luminescences of isomorphic chiral twofold interpenetrated 3-D nets built from I<sup>1</sup>O<sup>2</sup> type hybrid inorganic-organic frameworks of [NH<sub>2</sub>(CH<sub>3</sub>)<sub>2</sub>]<sub>3</sub>[Pb<sub>2</sub>X<sub>3</sub>(BDC)<sub>2</sub>] (X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14233","14240","10.1039/c8dt01469h","","","0.71076","MoKα","","0.0193","0.0171","","","0.0364","0.0369","","","","","","1.105","","","","has coordinates","229734","2020-10-21","18:00:00",""
"7046649","11.888","0.001","11.888","0.001","32.757","0.005","90","","90","","90","","4629.4","0.9","143","2","143","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C27 H16.5 F N2.5 O4 W -","- C27 H16.5 F N2.5 O4 W -","- C216 H132 F8 N20 O32 W8 -","8","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.0773","0.0422","","","0.0765","0.0863","","","","","","1.138","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7047953","9.3461","0.0003","9.3461","0.0003","32.8191","0.0012","90","","90","","90","","2866.73","0.17","173","2","173","2","","","101.3","","","","synthesis","7","P 41 21 2","P 4abw 2nw","92","work","","","- C20 H30 F6 Mn N6 O6 S2 -","- C20 H30 F6 Mn N6 O6 S2 -","- C80 H120 F24 Mn4 N24 O24 S8 -","4","0.5","","Vermaak, Vincent; Young, Desmond A.; Swarts, Andrew J.","Catalytic oxidation of alcohols with novel non-heme N<sub>4</sub>-tetradentate manganese(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16534","16542","10.1039/c8dt03808b","","x-ray","0.71073","MoKα","","0.0645","0.0561","","","0.1523","0.1646","","","","","","1.078","","","","has coordinates","229652","2020-10-21","18:00:00",""
"7048052","5.4973","0.0015","5.4973","0.0015","16.475","0.005","90","","90","","90","","497.9","0.2","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","AsF5HCN","","","- C H As F5 N -","- C H As F5 N -","- C4 H4 As4 F20 N4 -","4","0.5","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0288","0.0246","","","0.0552","0.0567","","","","","","1.195","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7049001","13.0946","0.001","13.0946","0.001","11.3554","0.0009","90","","90","","90","","1947.1","0.3","120","2","120.15","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C8 H4 Cu N8 -","- C8 H4 Cu N8 -","- C64 H32 Cu8 N64 -","8","1","","Zhong, Li; Xie, Shang-Fang; He, Jian-Qiang; Zhong, Qi-Sui; Yang, Meng; Chen, Wen-Bin; Dong, Wen","Syntheses, structures, magnetism and electrocatalytic oxygen evolution for four cobalt, manganese and copper complexes with dinuclear, 1D and 3D structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3467","3475","10.1039/c9dt00227h","","x-ray","0.71073","MoKα","","0.0375","0.0289","","","0.0622","0.0657","","","","","","1.045","","","","has coordinates","223816","2020-10-21","18:00:00",""
"7049033","13.2635","0.0003","13.2635","0.0003","17.6166","0.0005","90","","90","","90","","3099.12","0.13","130","2","130","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C21 H30 Li N3 O9 Zn -","- C21 H30 Li N3 O9 Zn -","- C84 H120 Li4 N12 O36 Zn4 -","4","0.5","","Sapianik, Aleksandr A.; Kiskin, Mikhail A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Audebrand, Nathalie; Sun, Yaguang; Fedin, Vladimir P.","Rational synthesis and dimensionality tuning of MOFs from preorganized heterometallic molecular complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3676","3686","10.1039/c8dt05136d","","x-ray","0.71073","MoKα","","0.0713","0.0637","","","0.1844","0.1947","","","","","","1.117","","","","has coordinates,has disorder","224534","2020-10-21","18:00:00",""
"7049604","21.863","0.003","21.863","0.003","58.231","0.008","90","","90","","90","","27834","7","125","2","125","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C66 H53 Cl12 Co3 K3 N6 O13 -","- C66 H53 Cl12 Co3 K3 N6 O13 -","- C528 H424 Cl96 Co24 K24 N48 O104 -","8","1","","Ambrose, Kenson; Robertson, Katherine N.; Kozak, Christopher M.","Cobalt amino-bis(phenolate) complexes for coupling and copolymerization of epoxides with carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6248","6260","10.1039/c9dt00996e","","","0.71073","MoKα","","0.125","0.0695","","","0.1689","0.1974","","","","","","1.032","","","","has coordinates","224406","2020-10-21","18:00:00",""
"7050169","16.513","0.018","16.513","0.018","39.02","0.04","90","","90","","90","","10640","2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C52.5 H42 Cl3 N8 O8.5 Zn -","- C52.5 H40 Cl3.02 N8 O8.5 Zn -","- C420 H320 Cl24.16 N64 O68 Zn8 -","8","1","","Drew, Michael G. B.; Tocher, Derek A.; Chowdhury, Kiranmoy; Chowdhury, Shubhamoy; Datta, Dipankar","Zinc(ii) mediated synthesis of an N-substituted 2-(2-pyridyl)imidazole from a 1,2-diketone and 2-(aminomethyl)pyridine and its ligational behaviour","New Journal of Chemistry","2004","28","2","323","","10.1039/b308294f","","","0.71073","MoKα","","0.1336","0.1177","","","0.2299","0.2402","","","","","","1.243","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050315","7.5335","0.0011","7.5335","0.0011","71.976","0.014","90","","90","","90","","4084.9","1.2","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C21 H26 Cl N O6 -","- C21 H26 Cl N O6 -","- C168 H208 Cl8 N8 O48 -","8","1","","John Smith; Elizabeth Balchin; Mike Bearpark; Anthony J. Horsewill; D. Malcolme-Lawes; M.Rowe; Jonathan Steed; David Stephenson; Weimin Wu","The Unusual Solid State Structure of Heroin Hydrochloride Monohydrate and its Selective Detection Using NQR Spectroscopy.","New J.Chem.(Nouv.J.Chim.)","2004","28","","1309","1314","10.1039/b401797h","","","0.71073","MoKα","","0.2057","0.0778","","","0.0943","0.1267","","","","","","1","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050771","23.9653","0.0002","23.9653","0.0002","11.3015","0.0001","90","","90","","90","","6490.85","0.1","150","","150","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C33.7 H33.4 Cl2.4 Fe O2 P Ru -","- C33.7 H33.4 Cl2.4 Fe O2 P Ru -","- C269.6 H267.2 Cl19.2 Fe8 O16 P8 Ru8 -","8","1","","Štěpnička, Petr","Synthesis, characterization and diastereoselective coordination of a planarly chiral, hybrid ferrocene ligand, (Sp)-2-(diphenylphosphino)ferrocenecarboxylic acid","New Journal of Chemistry","2002","26","5","567","","10.1039/b109495p","","","0.71073","MoKα","","0.0539","0.0495","","","0.1427","0.146","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050893","14.2352","0.0013","14.2352","0.0013","48.498","0.006","90","","90","","90","","9827.6","1.8","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C53 H41 Au Cl5 N2 P -","- C53 H41 Au Cl5 N2 P -","- C424 H328 Au8 Cl40 N16 P8 -","8","1","","Hansjorg Grutzmacher; Carsten Bohler; Nicola Donati; Daniel Stein","Synthesis of a Tropylidene substituted N-Heterocyclic Carbene (tropNHC): Rearrangement and Formation of its Gold Complex","New Journal of Chemistry","2002","","","","","10.1039/b203670c","","","","","","","0.0958","","","0.2078","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7051687","9.891","0.001","9.891","0.001","17.167","0.005","90","","90","","90","","1679.5","0.5","294","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C9 H16 O2 -","- C9 H16 O2 -","- C72 H128 O16 -","8","1","","Nguyen, Vi T.; Chan, Isa Y. H.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Crystallisation of C2-symmetric endo,endo-bicyclo[3.3.1]nonane-2-6-diols: supramolecular synthons and concomitant degrees of enantiomer separation","New Journal of Chemistry","2009","33","8","1736","","10.1039/b900463g","","x-ray","1.54184","CuKα","","","0.04","","","","0.056","","","","","","1.41","","","","has coordinates","180070","2020-10-21","18:00:00",""
"7053237","10.3386","0.0006","10.3386","0.0006","37.798","0.002","90","","90","","90","","4040.1","0.4","123","2","123","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C17 H36 Li N3 Zn -","- C17 H36 Li N3 Zn -","- C136 H288 Li8 N24 Zn8 -","8","1","","Saßmannshausen, Jörg; Klett, Jan; Kennedy, Alan R.; Parkinson, John A.; Armstrong, David","Taming the shrew: [TMEDALi-Zn(C2H4)2L] as a model compound for anionic ethene polymerisation","New Journal of Chemistry","2013","37","2","494","","10.1039/c2nj40874k","","","0.71073","MoKα","","0.0706","0.0442","","","0.0837","0.0867","","","","","","0.961","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7054579","12.73537","0.00012","12.73537","0.00012","28.8831","0.0003","90","","90","","90","","4684.54","0.08","190","","190","","","","101","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C52 H36 N4 O12 S4 -","- C52 H36 N4 O12 S4 -","- C208 H144 N16 O48 S16 -","4","0.5","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.5418","CuKα","","0.0464","0.0437","","0.1148","0.1044","0.1148","","","","","","1.0794","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7055350","11.7927","0.0002","11.7927","0.0002","25.0037","0.0005","90","","90","","90","","3477.21","0.11","193","2","193","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C144 H208 N16 O16 -","8","1","","Yuan, Minghui; Tanabe, Iori; Bernard-Schaaf, Jean-Marie; Shi, Qin-Yin; Schlegel, Vicki; Schurhammer, Rachel; Dowben, Peter A.; Doudin, Bernard; Routaboul, Lucie; Braunstein, Pierre","Influence of steric hindrance on the molecular packing and the anchoring of quinonoid zwitterions on gold surfaces","New J. Chem.","2016","40","7","5782","","10.1039/C5NJ03251B","","","0.71073","MoKα","","0.0829","0.0571","","","0.1511","0.1635","","","","","","1.12","","","","has coordinates","185583","2020-10-21","18:00:00",""
"7056756","11.0772","0.0002","11.0772","0.0002","26.6909","0.0009","90","","90","","90","","3275.09","0.14","120","","120","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C32 H30 B2 Fe N6 O12 -","- C32 H30 B2 Fe N6 O12 -","- C128 H120 B8 Fe4 N24 O48 -","4","0.5","","Zelinskii, Genrikh E.; Belov, Alexander S.; Belaya, Irina G.; Vologzhanina, Anna V.; Novikov, Valentin V.; Varzatskii, Oleg A.; Voloshin, Yan Z.","The molecular design of cage metal complexes for biological applications: pathways of the synthesis, and X-ray structures of a series of new N2-, S2- and O2-alicyclic iron(ii) di- and tetrachloroclathrochelates","New Journal of Chemistry","2018","42","1","56","","10.1039/C7NJ03051G","","","0.71073","MoKα","","0.0357","0.03","","","0.0742","0.0772","","","","","","1.008","","","","has coordinates","230225","2020-10-21","18:00:00",""
"7056806","9.6856","0.0003","9.6856","0.0003","51.069","0.0016","90","","90","","90","","4790.8","0.3","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C23 H33 N3 O6 -","- C23 H33 N3 O6 -","- C184 H264 N24 O48 -","8","1","","Kotmale, Amol S.; Sangtani, Ekta; Gonnade, Rajesh G.; Sarkar, Dhiman; Burade, Sachin; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Conformational studies of Ant‒Pro motif-incorporated cyclic peptides: gramicidin S and avellanin","New Journal of Chemistry","2018","42","2","1197","","10.1039/C7NJ03701E","","","1.54178","CuKα","","0.0432","0.0384","","","0.0844","0.0869","","","","","","1.022","","","","has coordinates","230296","2020-10-21","18:00:00",""
"7058017","5.4831","0.0002","5.4831","0.0002","47.463","0.003","90","","90","","90","","1426.95","0.12","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","3-Nitro-4,4'-bipyrazole","","- C6 H5 N5 O2 -","- C6 H5 N5 O2 -","- C48 H40 N40 O16 -","8","1","","Domasevitch, Konstantin V.; Gospodinov, Ivan; Krautscheid, Harald; Klapoetke, Thomas M.; Stierstorfer, Joerg","Facile and selective polynitrations at the 4-pyrazolyl dual backbone: A straightforward access to a series of high-density energetic materials","New Journal of Chemistry","2018","","","","","10.1039/C8NJ05266B","","","0.71073","MoKα","","0.0342","0.0319","","","0.0779","0.0789","","","","","","1.102","","","","has coordinates","212424","2020-10-21","18:00:00",""
"7059111","18.092","0.005","18.092","0.005","21.761","0.008","90","","90","","90","","7123","4","100","2","100.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H42 Cu2 I2 N10 -","- C32 H42 Cu2 I2 N10 -","- C256 H336 Cu16 I16 N80 -","8","1","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0747","0.0504","","","0.141","0.1629","","","","","","1.035","","","","has coordinates","235710","2020-10-21","18:00:00",""
"7059732","30.3905","0.0003","30.3905","0.0003","14.8757","0.0002","90","","90","","90","","13738.9","0.3","130.15","","130.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","(AsPh4)4[(WO2)4(9HL)4].4MeOH.4H2O","","","- C152 H124 As4 O36 W4 -","- C150 H108 As4 O30 W4 -","- C600 H432 As16 O120 W16 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles","New Journal of Chemistry","2020","44","27","11437","11440","10.1039/D0NJ02413A","","x-ray","1.54184","CuKα","","0.0467","0.0428","","","0.0964","0.098","","","","","","1.07","","","","has coordinates,has disorder","257678","2020-10-21","18:00:00",""
"7059986","12.7747","0.0004","12.7747","0.0004","20.7228","0.0011","90","","90","","90","","3381.8","0.2","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H21 N3 O6 -","- C14 H21 N3 O6 -","- C112 H168 N24 O48 -","8","1","","Karavaizoglu, Ufuk Nusret; Salamci, Emine","An efficient synthesis of chloro-aminocyclooctanediol and aminocyclooctanetriol: an unexpected acetolysis product","New Journal of Chemistry","2020","44","41","17976","17983","10.1039/D0NJ02697B","","","0.71073","MoKα","","0.0567","0.0442","","","0.1021","0.1073","","","","","","1.067","","","","has coordinates","258895","2020-11-06","12:42:45",""
"7060021","11.1959","0.0003","11.1959","0.0003","48.749","0.003","90","","90","","90","","6110.6","0.4","296","2","296.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H19 Cu N5 O -","- C14 H19 Cu N5 O -","- C224 H304 Cu16 N80 O16 -","16","2","","Das, Manik; Mukherjee, Somali; Koley, Biplab; Choudhuri, Indranil; Bhattacharyya, Nandan; Roy, Pritam; Samanta, Bidhan Chandra; Barai, Manas; Maity, Tithi","Developing novel zinc(ii) and copper(ii) Schiff base complexes: combined experimental and theoretical investigation on their DNA/protein binding efficacy and anticancer activity","New Journal of Chemistry","2020","44","42","18347","18361","10.1039/D0NJ03844J","","","0.71073","MoKα","","0.1007","0.0425","","","0.0791","0.1031","","","","","","1.058","","","","has coordinates","258904","2020-11-06","12:44:43",""
"7061430","11.3861","0.0002","11.3861","0.0002","27.035","0.0004","90","","90","","90","","3504.91","0.1","298","2","298","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C20 H13 Br Cl N O2 -","- C20 H13 Br Cl N O2 -","- C160 H104 Br8 Cl8 N8 O16 -","8","1","","Glavač, Danijel; Gredičak, Matija","Construction of chiral Betti base precursors containing a congested quaternary stereogenic center via chiral phosphoric acid-catalyzed arylation of isoindolinone-derived ketimines","New Journal of Chemistry","2022","46","18","8760","8764","10.1039/D2NJ00493C","","x-ray","1.54184","CuKα","","0.0401","0.0371","","","0.0985","0.102","","","","","","1.025","","","","has coordinates","275805","2022-06-06","01:56:07",""
"7061624","8.1259","0.0002","8.1259","0.0002","67.712","0.002","90","","90","","90","","4471","0.2","169.99","0.1","169.99","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C224 H232 N8 O32 -","8","1","","Zhang, Lei; Quan, Wei; Liu, Ren-Ming; Tian, You-Ping; Pan, Bo-Wen; Liu, Xiong-Li","Diastereoselective construction of a library of structural bispiro[butyrolactone/valerolactone–pyrrolidine–indanedione] hybrids via 1,3-dipolar cycloaddition reactions","New Journal of Chemistry","2022","46","25","11975","11979","10.1039/D2NJ01571D","","","1.54184","CuKα","","0.0638","0.0614","","","0.1119","0.1129","","","","","","1.241","","","","has coordinates","276305","2022-06-28","00:22:29",""
"7062189","9.3025","0.0013","9.3025","0.0013","54.665","0.011","90","","90","","90","","4730.5","1.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H38 Er2 N2 O17 -","- C51 H38 Er2 N2 O17 -","- C204 H152 Er8 N8 O68 -","4","0.5","","Hajiashrafi, Taraneh; Sheikholeslami, Mohaddeseh; Arjanaki, Maryam Ahmadi; Tarighi, Sara; Guo, Zhifang; Junk, Peter C.","Synthesis, structure analysis and catalytic activity of two Ln-coordination polymers containing benzophenone-4,4′-dicarboxylate linker","New Journal of Chemistry","2023","47","5","2230","2239","10.1039/D2NJ04116B","","","0.71073","MoKα","","0.0287","0.028","","","0.0727","0.0732","","","","","","1.073","","","","has coordinates","281507","2023-03-04","18:30:41",""
"7062190","9.277","0.0013","9.277","0.0013","54.662","0.011","90","","90","","90","","4704.4","1.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H38 N2 O17 Yb2 -","- C51 H38 N2 O17 Yb2 -","- C204 H152 N8 O68 Yb8 -","4","0.5","","Hajiashrafi, Taraneh; Sheikholeslami, Mohaddeseh; Arjanaki, Maryam Ahmadi; Tarighi, Sara; Guo, Zhifang; Junk, Peter C.","Synthesis, structure analysis and catalytic activity of two Ln-coordination polymers containing benzophenone-4,4′-dicarboxylate linker","New Journal of Chemistry","2023","47","5","2230","2239","10.1039/D2NJ04116B","","","0.71073","MoKα","","0.0159","0.0159","","","0.039","0.039","","","","","","1.105","","","","has coordinates","281507","2023-03-04","18:30:41",""
"7062465","7.9826","0.0003","7.9826","0.0003","17.5851","0.0009","90","","90","","90","","1120.56","0.08","273.15","","273.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H10 Co N2 O4 -","- C12 H10 Co N2 O4 -","- C48 H40 Co4 N8 O16 -","4","0.5","","Ladhi, Ritu; Rani, Deepika; Singh, Monika","Multifunctional cobalt metal–organic framework luminescent probe for the efficient sensing of Cr2O72−, MnO4− and nucleobases","New Journal of Chemistry","2023","47","20","9714","9720","10.1039/D3NJ00719G","","","0.71073","MoKα","","0.0151","0.0147","","","0.0381","0.0385","","","","","","1.0626","","","","has coordinates","284302","2023-06-05","04:46:02",""
"7062793","16.2441","0.0003","16.2441","0.0003","38.4605","0.0017","90","","90","","90","","10148.6","0.5","150","","150","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H59 Cr2 O41.5 Tb2 -","- C30 H59 Cr2 O41.5 Tb2 -","- C240 H472 Cr16 O332 Tb16 -","8","1","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Voronina, Julia K.; Korotkova, Natalia A.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Belova, Ekaterina V.; Gogoleva, Natalia V.; Kottsov, Sergey Yu.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structural features, magnetic properties and thermal decomposition of a new series of polymeric Ln(iii)–Cr(iii) cyclopropane-1,1-dicarboxylates","New Journal of Chemistry","2023","47","41","19251","19264","10.1039/D3NJ03027J","","","0.71073","MoKα","","0.0287","0.025","","","0.0554","0.0572","","","","","","1.034","","","","has coordinates,has disorder","287367","2023-11-06","07:57:39",""
"7063090","11.7769","0.0004","11.7769","0.0004","31.359","0.002","90","","90","","90","","4349.3","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H20 Br N O4 -","- C25 H20 Br N O4 -","- C200 H160 Br8 N8 O32 -","8","1","","Mou, Chengli; Liang, Guangping; Liang, Peiyao; Chen, Siyi; Wu, Chong; Teng, Shenghan; Wang, Shoulei","Highly enantioselective allylic amination reaction through aerobic oxidative organo–organo dual catalytic system","New Journal of Chemistry","2024","48","14","6076","6080","10.1039/D4NJ00478G","","x-ray","0.71073","MoKα","","0.1108","0.0506","","","0.074","0.0867","","","","","","1.006","","","","has coordinates","291020","2024-04-05","00:04:51",""
"7063133","18.807","0.0002","18.807","0.0002","19.0641","0.0005","90","","90","","90","","6743","0.2","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C37 H35 N3 O7 -","- C37 H35 N3 O7 -","- C296 H280 N24 O56 -","8","1","","Bakija, Marija; Perić, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","48","19","8702","8719","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0528","0.0419","","","0.102","0.1103","","","","","","1.038","","","","has coordinates","293207","2024-07-05","17:41:19",""
"7063547","5.8699","0.0002","5.8699","0.0002","13.4589","0.0009","90","","90","","90","","463.74","0.04","99","2","99","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","C4O2F2","Acetylenedicarbonyl Fluoride","","- C4 F2 O2 -","- C4 F2 O2 -","- C16 F8 O8 -","4","0.5","","Hollenwäger, Dirk; Nitzer, Alexander; Leitz, Dominik; Kornath, Andreas J.","Structures and properties of the mono- and diprotonated species of acetylenedicarbonyl fluoride","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04175E","","","0.71073","MoKα","","0.0421","0.0352","","","0.0709","0.0732","","","","","","1.088","","","","has coordinates","296079","2024-11-23","01:25:54",""
"7100203","10.2355","0.0004","10.2355","0.0004","28.105","0.002","90","","90","","90","","2944.4","0.3","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C12 H8 Ag F3 N2 O4 S -","- C12 H8 Ag F3 N2 O4 S -","- C96 H64 Ag8 F24 N16 O32 S8 -","8","1","","T. C. W. Mak; Xu-Dong Chen; Miao Du","Controlled Generation of Heterochiral or Homochiral Coordination Polymer: Helical Conformational Polymorphs and Argentophilicity-Induced Spontaneous Resolution","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100736","18.712","0.0004","18.712","0.0004","22.74","0.0004","90","","90","","90","","7962.2","0.3","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C352 H384 O96 -","8","1","","A.W. Coleman; Oksana Danylyuk; Adina Lazar; Florent Perret; Kinga Suwinska","Assembly of a Novel Supramolecular Synthon of Calix[4]arene Presenting Four Carboxylic Acids","Chemical Communications","2006","","","","","10.1039/b516065k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100776","20.5113","0.0012","20.5113","0.0012","14.2496","0.0011","90","","90","","90","","5995","0.7","120","2","120","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C34 H34 F4 S4 -","- C34 H34 F4 S4 -","- C272 H272 F32 S32 -","8","1","","Peter Skabara; Simon J. Coles; David J. Crouch; Martin J. Heeney; Michael B. Hursthouse; I. McCulloch","Hexyl-substituted oligothiophenes with a central terafluorophenylene unit: crystal engineering of planar structures for p-type organic semiconductors","Chemical Communications","2005","","","","","10.1039/b417642a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101237","14.949","0.002","14.949","0.002","41.966","0.008","90","","90","","90","","9378","3","90","2","90","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","Y3N@N-ethyl-3,4-fullero[80]pyrrolidine (5,6 isomer)","","","- C86.5 H9 N2 S5 Y3 -","- C86.5 H9 N2 S5 Y3 -","- C692 H72 N16 S40 Y24 -","8","1","","A. L. Balch; Claudia M. Cardona; Christopher J. Chancellor; Luis Echegoyen; Bevan Elliott; Marylin Olmstead; Jose Rivera","X-ray Crystallographic and EPR Spectroscopic Characterization of a Pyrrolidine Adduct of Y3N@C80","Chemical Communications","2006","","25","","","10.1039/b604011j","","","0.71073","MoKα","","0.0718","0.0569","","","0.1412","0.1507","","","","","","0.81","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101780","10.6791","0.0001","10.6791","0.0001","36.8984","0.0006","90","","90","","90","","4208.01","0.09","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H27 Cl N Rh -","- C25 H27 Cl N Rh -","- C200 H216 Cl8 N8 Rh8 -","8","1","","Gómez-Bujedo, Silvia; Alcarazo, Manuel; Pichon, Christophe; Alvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M","Isoquinolin-1-ylidenes as electronically tuneable ligands.","Chemical communications (Cambridge, England)","2007","","11","1180","1182","10.1039/b617037d","","","0.71073","MoKα","","0.0244","0.0216","","","0.0487","0.0493","","","","","","1.055","","","","has coordinates","180119","2020-10-21","18:00:00",""
"7101803","25.0996","0.0001","25.0996","0.0001","38.1856","0.0002","90","","90","","90","","24056.6","0.2","113","2","113","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","octakis(2,3,6-tri-O-acetyl)-gamma-cyclodextrin sesqui(isopropanolate)monohydrate","octakis(2,3,6-tri-O-acetyl)-gamma-cyclodextrin sesqui(isopropanolate)monohydrate","","- C100.5 H142 O66.5 -","- C100.5 H142 O66.5 -","- C804 H1136 O532 -","8","1","","Caira, Mino R; Bettinetti, Giampiero; Sorrenti, Milena; Catenacci, Laura; Cruickshank, Dyanne; Davies, Kate","Effect of peracetylation on the conformation of gamma-cyclodextrin.","Chemical communications (Cambridge, England)","2007","","12","1221","1223","10.1039/b616681d","","","0.71073","MoKα","","0.0997","0.0872","","","0.23","0.2438","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101804","25.0841","0.0001","25.0841","0.0001","38.276","0.0002","90","","90","","90","","24083.7","0.2","113","2","113","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","octakis(2,3,6-tri-O-acetyl)-gamma-cyclodextrin.2(ethanol).H2O","octakis(2,3,6-tri-O-acetyl)-gamma-cyclodextrin.2(ethanol).H2O","","- C100 H142 O67 -","- C100 H140 O67 -","- C800 H1120 O536 -","8","1","","Caira, Mino R; Bettinetti, Giampiero; Sorrenti, Milena; Catenacci, Laura; Cruickshank, Dyanne; Davies, Kate","Effect of peracetylation on the conformation of gamma-cyclodextrin.","Chemical communications (Cambridge, England)","2007","","12","1221","1223","10.1039/b616681d","","","0.71073","MoKα","","0.0806","0.0699","","","0.1939","0.2029","","","","","","1.036","","","","has coordinates,has disorder","180120","2020-10-21","18:00:00",""
"7102555","10.6483","0.0004","10.6483","0.0004","43.318","0.003","90","","90","","90","","4911.7","0.4","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","N-[(2S)-t-Boc-Aminocyclopent-(1R)-yl]-N-(thymin-1-acetyl)-glycine ethyl ester","","- C21 H32 N4 O7 -","- C21 H32 N4 O7 -","- C168 H256 N32 O56 -","8","1","","Govindaraju, T; Kumar, Vaijayanti A; Ganesh, Krishna N","cis-Cyclopentyl PNA (cpPNA) as constrained chiral PNA analogues: stereochemical dependence of DNA/RNA hybridization.","Chemical communications (Cambridge, England)","2004","","7","860","861","10.1039/b317000d","","","0.71073","MoKα","","0.0697","0.054","","","0.1188","0.1249","","","","","","1.127","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103762","15.7589","0.0008","15.7589","0.0008","53.461","0.005","90","","90","","90","","13276.7","1.7","173","2","173","2","","","","","","","synthesized by Fujita et al. see text","5","P 41 21 2","P 4abw 2nw","92","mono-[3-(2-imidazolylthio)]-altro-β-cyclodextrin","cyclo[(1\ρightarrow4)-(3-dexoy-3-(2-imidazolylthio))- α-D-altropyranosyl-hexakis(1\ρightarrow4)-α-D-glucopyranosyl]","","- C45 H103 N2 O49.5 S -","- C45 H72 N2 O49.5 S -","- C360 H576 N16 O396 S8 -","8","1","","Lindner, Hans J.; Yuan, De-Qi; Fukudome, Makoto; Fujita, Kahee; Lichtenthaler, Frieder W.","Crystal Structure od mono[3-(2-imidazolylthio)]-altro-β-cyclodextrin: Elliptical distortion of the cavity and unique 'Yin-Yang' stacking","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b303788f","","","0.71073","MoKα","","0.1129","0.0595","","","0.1203","0.1294","","","","","","0.831","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7104228","11.742","0.003","11.742","0.003","24.521","0.006","90","","90","","90","","3381","1.3","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C18 H16 Fe I N O -","- C18 H16 Fe I N O -","- C144 H128 Fe8 I8 N8 O8 -","8","1","","Kamikawa, Ken; Fukumoto, Keisuke; Yoshihara, Kohei; Furusyo, Masaru; Uemura, Motokazu; Takemoto, Shin; Matsuzaka, Hiroyuki","Induction of one-handed helical oligo(p-benzamide)s by domino effect based on planar-axial-helical chirality relay.","Chemical communications (Cambridge, England)","2009","34","10","1201","1203","10.1039/b818123c","","","0.71075","MoKα","","0.0349","0.0308","","","0.0801","0.0827","","","","","","1.029","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104707","8.2425","0.0012","8.2425","0.0012","23.659","0.005","90","","90","","90","","1607.3","0.5","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H14 N4 Zn -","- C18 H14 N4 Zn -","- C72 H56 N16 Zn4 -","4","0.5","","Wang, Hao; Zeng, Yi; Ma, Jin Shi; Fu, Hongbing; Yao, Jiannian; Mikhaleva, Albina I; Trofimov, Boris A","Facile synthesis of size-tunable micro-octahedra via metal-organic coordination.","Chemical communications (Cambridge, England)","2009","34","36","5457","5459","10.1039/b908876h","","","0.71073","MoKα","","0.0292","0.0288","","","0.0778","0.078","","","","","","1.161","","","","has coordinates","180150","2020-10-21","18:00:00",""
"7105320","14.8862","0.0003","14.8862","0.0003","24.7887","0.0011","90","","90","","90","","5493.1","0.3","120","2","120","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C43 H48 B4 Cl2 Dy2 N26 O4 -","- C43 H48 B4 Cl2 Dy2 N26 O4 -","- C172 H192 B16 Cl8 Dy8 N104 O16 -","4","0.5","","Xu, Gong-Feng; Wang, Qing-Lun; Gamez, Patrick; Ma, Yue; Clérac, Rodolphe; Tang, Jinkui; Yan, Shi-Ping; Cheng, Peng; Liao, Dai-Zheng","A promising new route towards single-molecule magnets based on the oxalate ligand.","Chemical communications (Cambridge, England)","2010","46","9","1506","1508","10.1039/b920215c","","","0.71073","MoKα","","0.0213","0.0182","","","0.0444","0.056","","","","","","1.168","","","","has coordinates,has disorder","180157","2020-10-21","18:00:00",""
"7105392","22.3511","0.0004","22.3511","0.0004","25.3776","0.0005","90","","90","","90","","12677.9","0.4","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C45 H52 Ag B N4 O5 -","- C45 H48 Ag B N4 O5 -","- C360 H384 Ag8 B8 N32 O40 -","8","1","","Liu, Yan; Xu, Xin; Xia, Qingchun; Yuan, Guozan; He, Qizhuang; Cui, Yong","Multiple topological isomerism of three-connected networks in silver-based metal‒organoboron frameworks","Chemical Communications","2010","46","15","2608","","10.1039/b923365b","","","0.71073","MoKα","","0.0625","0.0572","","","0.1565","0.163","","","","","","1.055","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105597","13.7816","0.0004","13.7816","0.0004","19.1276","0.0013","90","","90","","90","","3633","0.3","123","2","123","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C44 H42 Co N8 O2 -","- C44 H42 Co N8 O2 -","- C176 H168 Co4 N32 O8 -","4","0.5","","Wu, Jin-Ji; Cao, Man-Li; Ye, Bao-Hui","Spontaneous chiral resolution of mer-[Co(II)(N,N,O-L3)2] enantiomers mediated by pi-pi interactions.","Chemical communications (Cambridge, England)","2010","46","21","3687","3689","10.1039/c002167a","","","0.71073","MoKα","","0.0341","0.0303","","","0.0737","0.076","","","","","","1.064","","","","has coordinates","180159","2020-10-21","18:00:00",""
"7105687","10.5842","0.0015","10.5842","0.0015","15.826","0.003","90","","90","","90","","1772.9","0.5","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H12 Mn N10 O2 -","- C16 H12 Mn N10 O2 -","- C64 H48 Mn4 N40 O8 -","4","0.5","","Xiao-Lan Tong; Tong-Liang Hu; Jiong-Peng Zhao; Yue-Kui Wang; Hui Zhang; Xiang-He Bu","Chiral Magnetic MnII Metal-Organic Frameworks with Achiral Tetrazolate-Based Ligand by Spontaneous Resolution","Chem.Commun.","2010","46","","8543","","10.1039/c0cc03111a","","","0.71073","MoKα","","0.0492","0.0432","","","0.0734","0.0749","","","","","","1.22","","","","has coordinates","180160","2020-10-21","18:00:00",""
"7106141","16.527","0.003","16.527","0.003","27.868","0.006","90","","90","","90","","7612","3","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C86 H82 N6 Ni O12 -","- C86 H82 N6 Ni O12 -","- C344 H328 N24 Ni4 O48 -","4","0.5","","Zhenzhen Dong; Shi Bai; Glenn P. A. Yap; Joseph M. Fox","Interplay between the diamine structure and absolute helicity in Ni–salen metallofoldamers","Chem.Commun.","2011","47","","3781","","10.1039/c0cc04794e","","","0.71073","MoKα","","0.1141","0.0664","","","0.175","0.2354","","","","","","1.061","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7107031","15.9014","0.0016","15.9014","0.0016","21.666","0.005","90","","90","","90","","5478.3","1.5","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H38 Cd Cl8 N12 O8 -","- C50 H38 Cd Cl8 N12 O8 -","- C200 H152 Cd4 Cl32 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.0703","0.0586","","","0.1552","0.1634","","","","","","1.081","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107032","15.8632","0.0018","15.8632","0.0018","21.76","0.003","90","","90","","90","","5475.7","1.2","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H38 Cd Cl8 N12 O8 -","- C50 H38 Cd Cl8 N12 O8 -","- C200 H152 Cd4 Cl32 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.0581","0.054","","","0.1377","0.1407","","","","","","1.064","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107033","15.8638","0.0016","15.8638","0.0016","21.568","0.004","90","","90","","90","","5427.8","1.3","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C49 H36 Cd Cl6 N12 O8 -","- C49 H36 Cd Cl6 N12 O8 -","- C196 H144 Cd4 Cl24 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.089","0.0728","","","0.1608","0.1686","","","","","","1.144","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107704","13.1138","0.0003","13.1138","0.0003","78.0725","0.0018","90","","90","","90","","13426.3","0.5","133","2","133","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C72 H57 B F24 Ir N O1.5 P -","- C72 H52 B F24 Ir N O1.5 P -","- C576 H416 B8 F192 Ir8 N8 O12 P8 -","8","1","","Jian Shang; Zhaobin Han; Yang Li; Zheng Wang; Kuiling Ding","Highly enantioselective asymmetric hydrogenation of (E)-B,B-disubstituted a,B-unsaturated Weinreb amides catalyzed by Ir(I) complexes of SpinPhox ligands","Chem.Commun.","2012","48","","5172","","10.1039/c2cc30812f","","","1.54178","CuKα","","0.0526","0.0519","","","0.1244","0.1248","","","","","","1.122","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108086","11.6541","0.0002","11.6541","0.0002","43.9234","0.0008","90","","90","","90","","5965.59","0.18","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C33 H43 N O12 -","- C33 H43 N O12 -","- C264 H344 N8 O96 -","8","1","","Wei Zhao; Wei-Guang Wang; Xiao-Nian Li; Xue Du; Rui Zhan; Juan Zou; Yan Li; Hai-Bo Zhang; Fei He; Jian-Xin Pu; Han-Dong Sun","Neoadenoloside A, a highly functionalized diterpene C-glycoside, from Isodon adenolomus","Chem.Commun.","2012","48","","7723","","10.1039/c2cc33656a","","","1.54178","CuKα","","0.0279","0.0279","","","0.0715","0.0715","","","","","","1.07","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7109907","12.5363","0.0004","12.5363","0.0004","43.668","0.002","90","","90","","90","","6862.8","0.4","90","2","90","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C68 H90 Cd2 I4 Li2 O3 -","- C68 H90 Cd2 I4 Li2 O3 -","- C272 H360 Cd8 I16 Li8 O12 -","4","0.5","","Benjamin M. Gridley; Toby J. Blundell; Graeme J. Moxey; William Lewis; Alexander J. Blake; Deborah L. Kays","Cubane and dicubane complexes stabilised by sterically demanding m-terphenyl ligands","Chem.Commun.","2013","49","","9752","","10.1039/c3cc46384b","","","0.71073","MoKα","","0.051","0.0408","","","0.0833","0.0885","","","","","","1.14","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7110315","14.763","0.003","14.763","","27.053","0.006","90","","90","","90","","5896.1","1.8","150","2","150","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C48.4 H65.6 Cl4 Cu4 N8 O3.6 -","- C48.4 H68 Cl4 Cu4 N8 O3.6 -","- C193.6 H272 Cl16 Cu16 N32 O14.4 -","4","0.5","","Arnold, Polly L.; Rodden, Mark; Davis, Kate M.; Scarisbrick, Andrew C.; Blake, Alexander J.; Wilson, Claire","Asymmetric lithium(i) and copper(ii) alkoxy-N-heterocyclic carbene complexes; crystallographic characterisation and Lewis acid catalysisElectronic supplementary information (ESI) available: full synthetic and structural details. See http://www.rsc.org/suppdata/cc/b4/b404614e/","Chemical Communications","2004","","14","1612","1613","10.1039/b404614e","","","0.71073","MoKα","","0.165","0.0645","","","0.147","0.214","","","","","","1.054","","","","has coordinates,has disorder","180217","2020-10-21","18:00:00",""
"7110833","11.775","0.002","11.775","0.002","26.095","0.005","90","","90","","90","","3618.1","1.1","180","2","180","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C34 H54 Mn2 N4 Sb2 -","- C34 H54 Mn2 N4 Sb2 -","- C136 H216 Mn8 N16 Sb8 -","4","0.5","","Bashall, Alan; McPartlin, Mary; Beswick, Michael A.; Kidd, Sara J.; Palmer, Julie S.; Raithby, Paul R.; Rawson, Jeremy M.; Wright, Dominic S.; Ehlenberg, Helmut","The paramagnetic, heterometallic manganese cubanes [{E2(NCy)4}(MnCp)2] (Cy = C6H11, Cp = C5H5, E = As, Sb)","Chemical Communications","2000","","9","749","","10.1039/a910196i","","","0.71073","MoKα","","0.0372","0.0277","","0.1256","0.0786","","","","1.185","0.804","0.804","","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7111014","15.5941","0.0007","15.5941","0.0007","12.4867","0.0008","90","","90","","90","","3036.5","0.3","193","2","193","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C22 H44 N4 O5 Te2 -","- C22 H44 N4 O5 Te2 -","- C88 H176 N16 O20 Te8 -","4","0.5","","Schatte, Gabriele; Chivers, Tristram; Jaska, Cory; Sandblom, Nicole","Cycloaddition reaction of tert-butyl isocyanate and a tellurium diimide dimer: extended helical structure of the ureato telluroxide {[OC(μ-NBut)2TeO]2(thf)}\ιnfty","Chemical Communications","2000","","17","1657","","10.1039/b004137h","","","0.71073","MoKα","","0.0188","0.0164","","","0.0405","0.0413","","","","","","1.024","","","","has coordinates,has disorder","180224","2020-10-21","18:00:00",""
"7111096","9.4318","0.0002","9.4318","0.0002","27.989","0.0008","90","","90","","90","","2489.87","0.1","95","2","95","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C112 H152 N8 O16 -","8","1","","Alexander, Jacob S.; Baldwin, John E.; Burrell, Richard C.; Ruhlandt-Senge, Karin","(1R,2S)-(+)-cis-1-Methoxycarbonyl-2-methylcyclobutane","Chemical Communications","2000","","22","2201","","10.1039/b006639g","","","0.71073","MoKα","","0.0348","0.0306","","","0.0747","0.077","","","","","","1.039","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7112551","14.485","0.001","14.485","0.001","35.711","0.007","90","","90","","90","","7492.7","1.6","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C98 H74 N8 Ni2 -","- C98 H74 N8 Ni2 -","- C392 H296 N32 Ni8 -","4","0.5","","Chmielewski, Piotr J.; Maciołek, Justyna","Diastereoselective methylation of bis(N-confused porphyrinatonickel(II)): access to configurationally stable chiral bis(porphyrinoid) and non-symmetric dimers.","Chemical communications (Cambridge, England)","2012","48","3","428","430","10.1039/c1cc14536c","","","0.71073","MoKα","","0.0625","0.0407","","","0.0874","0.091","","","","","","0.892","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112699","14.7882","0.0003","14.7882","0.0003","38.0825","0.0009","90","","90","","90","","8328.3","0.3","90","2","90","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C72 H116 Li O4 Si8 V -","- C72 H116 Li O4 Si8 V -","- C288 H464 Li4 O16 Si32 V4 -","4","0.5","","Yee, Gereon M.; Kowolik, Kristin; Manabe, Shuhei; Fettinger, James C.; Berben, Louise A.","Simple routes to bulky silyl-substituted acetylide ligands and examples of V(III), Fe(II), and Mn(II) complexes.","Chemical communications (Cambridge, England)","2011","47","42","11680","11682","10.1039/c1cc14758g","","","1.54178","CuKα","","0.0415","0.0374","","","0.0973","0.1007","","","","","","1.048","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7113322","9.4645","0.0005","9.4645","0.0005","68.31","0.004","90","","90","","90","","6119","0.6","163","2","163","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C30 H27 F6 N4 O3.5 P Ru S -","- C30 H27 F6 N4 O3.5 P Ru S -","- C240 H216 F48 N32 O28 P8 Ru8 S8 -","8","1","","Zheng-Zheng Li; Su-Yang Yao; Jin-Ji Wu; Bao-Hui Ye","In situ generation of sulfoxides with predetermined chirality via a structural template with a chiral-at-metal ruthenium complex","Chem.Commun.","2014","50","","5644","","10.1039/C4CC01907E","","","1.54184","CuKα","","0.091","0.0884","","","0.1878","0.189","","","","","","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114487","19.184","0.003","19.184","0.003","10.165","0.004","90","","90","","90","","3741","1.7","180","2","180","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H26 F2 O8 -","- C16 H26 F2 O8 -","- C128 H208 F16 O64 -","8","1","","Frederickson, Martyn; Coggins, John R.; Abell, Chris","Vinyl fluoride as an isoelectronic replacement for an enolate anion: Inhibition of type II dehydroquinases","Chemical Communications","2002","","17","1886","","10.1039/b205105m","","","0.71069","MoKα","","0.0738","0.0473","","0.1077","0.096","","","","1.024","1.07","1.07","","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114784","19.1076","0.001","19.1076","0.001","35.876","0.002","90","","90","","90","","13098.3","1.2","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H36 F12 Ir N3 -","- C36 H18 F12 Ir N3 -","- C576 H288 F192 Ir16 N48 -","16","2","","Grushin, Vladimir V.; Herron, Norman; LeCloux, Daniel D.; Marshall, William J.; Petrov, Viacheslav A.; Wang, Ying","New, efficient electroluminescent materials based on organometallic Ir complexes","Chemical Communications","2001","","16","1494","","10.1039/b103490c","","","0.71073","MoKα","","0.1052","0.0835","","","0.2138","0.2232","","","","","","1.087","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7114935","17.237","0.003","17.2371","","19.432","0.002","90","","90","","90","","5773.6","1.2","296.2","","296.2","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C21 H36 Fe N7 O9 -","- C21 H36 Fe N7 O9 -","- C168 H288 Fe8 N56 O72 -","8","1","","Matsumoto, Kenji; Ozawa, Tomohiro; Jitsukawa, Koichiro; Einaga, Hisahiko; Masuda, Hideki","A structural model of the ferrichrome type siderophore: chiral preference induced by intramolecular hydrogen bonding networks in ferric trihydroxamate","Chemical Communications","2001","","11","978","","10.1039/b100306m","","","1.5418","CuKα","","","0.0526","","","0.0316","","","","","1.536","1.536","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115902","13.9953","0.0004","13.9953","0.0004","104.431","0.003","90","","90","","90","","20454.7","1","93","2","93","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C156 H140 B12 N4 O32 -","- C156 H140 B12 N4 O32 -","- C624 H560 B48 N16 O128 -","4","0.5","","Kosuke Ono; Ryo Aizawa; Taiki Yamano; Suguru Ito; Nobuhiro Yasuda; Kohei Johmoto; Hidehiro Uekusa; Nobuharu Iwasawa","Procedure-dependent construction of two isomers of trimeric self-assembled boronic esters","Chem.Commun.","2014","50","","13683","","10.1039/C4cc05836D","","","1.54186","CuKα","","0.0716","0.0573","","","0.1692","0.1794","","","","","","0.933","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7116447","12.9489","0.0011","12.9489","0.0011","70.484","0.006","90","","90","","90","","11818.3","1.7","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C57 H48 B Cl2 F24 Ir N P S -","- C57 H48 B Cl2 F24 Ir N P S -","- C456 H384 B8 Cl16 F192 Ir8 N8 P8 S8 -","8","1","","Areli Flores-Gaspar; Silvia Orgue; Arnald Grabulosa; Antoni Riera; Xavier Verdaguer","Borane as an efficient directing group. Stereoselective 1,2-addition of organometallic reagents to borane P-stereogenic N-phosphanylimines","Chem.Commun.","2015","51","","1941","","10.1039/C4cc09106J","","","0.71073","MoKα","","0.0695","0.0572","","","0.1193","0.1241","","","","","","1.112","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7117026","15.90821","0.00018","15.90821","0.00018","21.6184","0.0004","90","","90","","90","","5470.99","0.13","100.03","0.11","100.03","0.11","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C54 H41.2 Cd Cl2 N12 O10 -","- C54 H41.2 Cd Cl2 N12 O10 -","- C216 H164.8 Cd4 Cl8 N48 O40 -","4","0.5","","Fan Yang; Qi-Kui Liu; Dan Wu; An-Yan Li; Yu-Bin Dong","p-Benzoquinone adsorption-separation, sensing and its photoinduced transformation within a robust Cd(II)-MOF in a SC-SC fashion","Chem.Commun.","2015","51","","7443","","10.1039/C5cc00127G","","","0.71073","MoKα","","0.0508","0.0447","","","0.1185","0.1246","","","","","","1.074","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7118078","19.7785","0.001","19.7785","0.001","35.613","0.002","90","","90","","90","","13931.4","1.3","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","compound 7","","- C66.5 H77 Au4 Cl5 Fe4 N4 O4 -","- C66.5 H77 Au4 Cl5 Fe4 N4 O4 -","- C532 H616 Au32 Cl40 Fe32 N32 O32 -","8","1","","Marta Ayerbe Garcia; Wolfgang Frey; Mark R. Ringenberg; Max Schwilk; Rene Peters","Dinuclear planar chiral ferrocenyl gold(I) & gold(II) complexes","Chem.Commun.","2015","51","","16806","","10.1039/C5cc07018J","","","0.71073","MoKα","","0.0316","0.0244","","","0.0538","0.0561","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7118862","13.5526","0.0001","13.5526","0.0001","57.9362","0.0006","90","","90","","90","","10641.3","0.16","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H75 Br K N3 O11 -","- C50 H75 Br K N3 O11 -","- C400 H600 Br8 K8 N24 O88 -","8","1","","Shi, Qiuyan; Li, Yu; Bo, Shaowei; Li, Xiaofei; Zhao, Peng; Liu, Qi; Yang, Zhigang; Cong, Hengjiang; Deng, Hexiang; Chen, Mingnan; Chen, Shizhen; Zhou, Xin; Ding, Hong; Jiang, Zhong-Xing","Discovery of a (19)F MRI sensitive salinomycin derivative with high cytotoxicity towards cancer cells.","Chemical communications (Cambridge, England)","2016","52","29","5136","5139","10.1039/c6cc01508e","","","1.54178","CuKα","","0.0445","0.0416","","","0.1132","0.1157","","","","","","1.038","","","","has coordinates,has disorder","181558","2020-10-21","18:00:00",""
"7119084","7.8273","0.0013","7.8273","0.0013","47.227","0.009","90","","90","","90","","2893.4","0.9","200","2","200","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","hg_m-OMe_R1140_LT","","","- C19 H16 Fe O -","- C19 H16 Fe O -","- C152 H128 Fe8 O8 -","8","1","","Antonio Urbano; Gloria Hernandez-Torres; Ana M. del Hoyo; Alicia Martinez-Carrion; M. Carmen Carreno","Mild access to planar-chiral ortho-condensed aromatic ferrocenes via gold(I)-catalyzed cycloisomerization of ortho-alkynylaryl ferrocenes","Chem.Commun.","2016","52","","6419","","","","","0.71073","","","0.1172","0.0751","","","0.1647","0.1839","","","","","","1.031","","","","has coordinates","184114","2020-10-21","18:00:00",""
"7119293","11.5964","0.0005","11.5964","0.0005","17.7913","0.0008","90","","90","","90","","2392.51","0.18","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C112 H72 F24 N16 -","8","1","","Gao, Guo-Lin; Yang, Chao; Xia, Wujiong","Selective C-H trifluoromethylation of benzimidazoles through photoredox catalysis.","Chemical communications (Cambridge, England)","2017","53","6","1041","1044","10.1039/c6cc08975e","","x-ray","0.71073","MoKα","","0.0832","0.0618","","","0.1667","0.1864","","","","","","1.084","","","","has coordinates","191477","2020-10-21","18:00:00",""
"7119454","14.5436","0.0002","14.5436","0.0002","29.1864","0.0009","90","","90","","90","","6173.4","0.2","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0465","0.0359","","","0.0689","0.0733","","","","","","1.042","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119458","14.5029","0.0003","14.5029","0.0003","29.2053","0.0013","90","","90","","90","","6142.9","0.3","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0356","0.0324","","","0.0804","0.0827","","","","","","1.095","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119459","14.3664","0.0007","14.3664","0.0007","29.399","0.003","90","","90","","90","","6067.8","0.7","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H24 Cd N2 O4 -","- C36 H24 Cd N2 O4 -","- C288 H192 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0449","0.0402","","","0.101","0.1039","","","","","","1.084","","","","has coordinates","204130","2020-10-21","18:00:00",""
"7119461","14.5128","0.0014","14.5128","0.0014","29.194","0.004","90","","90","","90","","6148.9","1.2","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0439","0.0394","","","0.1011","0.1045","","","","","","1.106","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119466","14.4838","0.0003","14.4838","0.0003","29.2182","0.0011","90","","90","","90","","6129.4","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0929","0.0694","","","0.1574","0.174","","","","","","1.094","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119467","14.4458","0.0004","14.4458","0.0004","29.3447","0.0013","90","","90","","90","","6123.7","0.4","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","1.54178","CuKα","","0.15","0.069","","","0.1267","0.1765","","","","","","1.026","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119468","14.4171","0.0003","14.4171","0.0003","29.1929","0.0014","90","","90","","90","","6067.8","0.3","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0998","0.0689","","","0.1519","0.1653","","","","","","1.057","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119469","14.5097","0.0003","14.5097","0.0003","28.8452","0.0014","90","","90","","90","","6072.8","0.3","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0837","0.0649","","","0.1491","0.159","","","","","","1.035","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119470","14.5222","0.0009","14.5222","0.0009","29.245","0.003","90","","90","","90","","6167.6","0.8","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1592","0.0771","","","0.1551","0.1865","","","","","","1.082","","","","has coordinates","204130","2020-10-21","18:00:00",""
"7119471","14.5387","0.0016","14.5387","0.0016","29.246","0.006","90","","90","","90","","6181.8","1.6","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1515","0.0913","","","0.1822","0.2058","","","","","","1.154","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119474","14.4896","0.0003","14.4896","0.0003","29.1167","0.001","90","","90","","90","","6113","0.3","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1015","0.078","","","0.1771","0.1939","","","","","","1.102","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119476","14.5067","0.0003","14.5067","0.0003","28.888","0.0016","90","","90","","90","","6079.3","0.4","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1212","0.0824","","","0.1949","0.2165","","","","","","1.069","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119477","14.4975","0.0002","14.4975","0.0002","29.1189","0.0011","90","","90","","90","","6120.1","0.3","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.098","0.0791","","","0.1845","0.1967","","","","","","1.1","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119479","14.5474","0.0002","14.5474","0.0002","29.2215","0.0009","90","","90","","90","","6184.1","0.2","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H26 Cd N2 O4 -","- C36 H26 Cd N2 O4 -","- C288 H208 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.0594","0.05","","","0.11","0.1156","","","","","","1.097","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7119481","14.4906","0.0003","14.4906","0.0003","29.1148","0.0011","90","","90","","90","","6113.5","0.3","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H25 Cd N2 O4 -","- C36 H25 Cd N2 O4 -","- C288 H200 Cd8 N16 O32 -","8","1","","Hu, Fei-Long; Wang, Hui-Fang; Guo, Dong; Zhang, Hui; Lang, Jian-Ping; Beves, Jonathon E.","Controlled formation of chiral networks and their reversible chiroptical switching behaviour by UV/microwave irradiation","Chemical Communications","2016","52","51","7990","7993","10.1039/c6cc03256g","","","0.71073","MoKα","","0.1098","0.0792","","","0.1737","0.193","","","","","","1.094","","","","has coordinates,has disorder","204130","2020-10-21","18:00:00",""
"7122745","17.911","0.003","17.911","0.003","31.795","0.003","90","","90","","90","","10200","3","200","2","200","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C24 H71 Cd2 Cl2 Co2 N4 O23.5 S4 -","- C24 H40 Cd2 Cl2 Co2 N4 O23.5 S4 -","- C192 H320 Cd16 Cl16 Co16 N32 O188 S32 -","8","1","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0479","0.0449","","","0.1239","0.1261","","","","","","1.082","","","","has coordinates","212642","2020-10-21","18:00:00",""
"7123001","18.2786","0.0004","18.2786","0.0004","13.4615","0.0004","90","","90","","90","","4497.58","0.19","295.4","0.8","295.4","0.8","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H23 F N2 O5 -","- C25 H23 F N2 O5 -","- C200 H184 F8 N16 O40 -","8","1","","Xiao, Ben-Xian; Jiang, Bo; Song, Xue; Du, Wei; Chen, Ying-Chun","Phosphine-Catalysed Asymmetric Dearomative Formal [4 + 2] Cycloadditions of 3-Benzofuranyl Vinyl Ketones","Chemical Communications","2019","","","","","10.1039/C9CC00386J","","x-ray","1.54184","CuKα","","0.0562","0.0515","","","0.1396","0.1457","","","","","","1.05","","","","has coordinates","213673","2020-10-21","18:00:00",""
"7123054","10.0374","0.0004","10.0374","0.0004","31.778","0.002","90","","90","","90","","3201.6","0.3","100","1","100","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C8 H18 B6 Li N4 -","- C8 H18 B6 Li N4 -","- C64 H144 B48 Li8 N32 -","8","1","","Møller, Kasper T.; Paskevicius, Mark; Andreasen, Jacob Ginnerup; Lee, Junqiao; Chen-Tan, Nigel; Overgaard, Jacob; Payandeh, Seyedhosein; Silvester, Debbie S.; Buckley, Craig; Jensen, Torben Rene R.","Molten metal closo-borate solvates","Chemical Communications","2019","","","","","10.1039/C9CC00187E","","x-ray","0.71073","MoKα","","0.0776","0.0522","","","0.1049","0.1175","","","","","","1.049","","","","has coordinates","213839","2020-10-21","18:00:00",""
"7123726","10.81497","0.0001","10.81497","0.0001","37.0777","0.0004","90","","90","","90","","4336.74","0.07","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C168 H200 N24 O32 -","8","1","","you, yong; Lu, Wen-Ya; Xie, Ke-Xin; Zhao, Jian-Qiang; Wang, Zhen-Hua; Yuan, Weicheng","Enantioselective Synthesis of Isoquinoline-1,3(2H,4H)-dione Derivatives via Chiral Phosphoric Acid Catalyzed aza-Friedel−Crafts Reaction","Chemical Communications","2019","","","","","10.1039/C9CC04057A","","x-ray","1.54184","CuKα","","0.0471","0.0423","","","0.1131","0.1178","","","","","","1.043","","","","has coordinates,has disorder","216538","2020-10-21","18:00:00",""
"7124072","10.62565","0.00016","10.62565","0.00016","43.3437","0.0017","90","","90","","90","","4893.7","0.2","293.9","0.3","293.9","0.3","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C27 H24 Cl N3 O4 -","- C27 H24 Cl N3 O4 -","- C216 H192 Cl8 N24 O32 -","8","1","","Zhu, Hong-Ping; Xie, Ke; He, Xiang-Hong; Huang, Wei; Zeng, Rong; Fan, Yang; Peng, Cheng; He, Gu; Han, Bo","Organocatalytic Diastereoselective [3+2] Cyclization of MBH Carbonates with Dinucleophiles: Synthesis of Bicyclic Imidazoline Derivatives that Inhibit MDM2-p53 Interaction","Chemical Communications","2019","","","","","10.1039/C9CC05916D","","x-ray","1.54184","CuKα","","0.0682","0.0647","","","0.1701","0.1743","","","","","","1.085","","","","has coordinates","217798","2020-10-21","18:00:00",""
"7125571","16.798","0.0003","16.798","0.0003","16.2379","0.0006","90","","90","","90","","4581.9","0.2","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C19 H11 Mn3 O10.5 S0.5 -","- C19 H11 Mn3 O10.5 S0.5 -","- C152 H88 Mn24 O84 S4 -","8","1","","Oh, Moonhyun; Carpenter, Gene B.; Sweigart, Dwight A.","A coordination network containing metal-organometallic secondary building units based on pi-bonded benzoquinone complexes.","Chemical communications (Cambridge, England)","2002","","18","2168","2169","10.1039/b206458h","","","0.71073","MoKα","","0.0567","0.0469","","","0.1179","0.1249","","","","","","1.048","","","","has coordinates","244050","2020-10-21","18:00:00",""
"7125699","9.72709","0.00004","9.72709","0.00004","28.60837","0.00018","90","","90","","90","","2706.82","0.02","100.01","0.1","100.01","0.1","","","","","","","Lindera glauca, Lindera, Lauraceae","3","P 41 21 2","P 4abw 2nw","92","Guaianelactone C","(4R,7S,7aS,10R,10aR)-10-hydroxy-7,10-dimethyl-3-methyleneoctahydro-4,10a-methanocyclopenta[b]oxonin-2(3H)-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","1","","Ruan, Qing-Feng; Jiang, Shi-Qin; Zheng, Xiao-Yun; Tang, Yu-Qian; Yang, Bao; Yi, Tao; Jin, Jing; Cui, Hui; Zhao, Zhongxiang","Pseudoguaianelactones A-C: three unusual sesquiterpenoids from Lindera glauca with anti-inflammatory activities by inhibiting the LPS-induced expression of iNOS and COX-2.","Chemical communications (Cambridge, England)","2020","56","10","1517","1520","10.1039/c9cc09159a","","x-ray","1.54184","CuKα","","0.0266","0.0261","","","0.0686","0.069","","","","","","1.072","","","","has coordinates","248802","2020-10-21","18:00:00",""
"7126474","5.8059","0.0008","5.8059","0.0008","13.905","0.002","90","","90","","90","","468.72","0.11","293","","293","","0.57418","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","2.0518","0.76512","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126475","5.6443","0.0008","5.6443","0.0008","13.507","0.002","90","","90","","90","","430.31","0.11","293","","293","","3.07546","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","1.69348","0.91599","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126476","5.7051","0.0006","5.7051","0.0006","13.6603","0.0017","90","","90","","90","","444.62","0.09","293","","293","","1.92173","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","2.16516","0.91772","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126477","5.6753","0.001","5.6753","0.001","13.593","0.003","90","","90","","90","","437.82","0.15","293","","293","","2.40666","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","1.41142","0.82697","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126478","5.5997","0.001","5.5997","0.001","13.351","0.003","90","","90","","90","","418.64","0.14","293","","293","","4.33309","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","2.06001","0.97468","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126479","5.758","0.0007","5.758","0.0007","13.794","0.002","90","","90","","90","","457.33","0.1","293","","293","","1.16279","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","3.11534","0.82313","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126480","5.7382","0.0007","5.7382","0.0007","13.747","0.002","90","","90","","90","","452.65","0.1","293","","293","","1.4238","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","2.14265","0.81428","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126481","5.5308","0.0015","5.5308","0.0015","13.126","0.004","90","","90","","90","","401.5","0.2","293","","293","","6.47717","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","1.88669","1.04323","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126482","5.5604","0.0012","5.5604","0.0012","13.245","0.004","90","","90","","90","","409.51","0.18","293","","293","","5.23993","","","","","","Sigma-Aldrich","5","P 41 21 2","P 4abw 2nw","92","alloxan","pyrimidine-2,4,5,6-tetraone","","- C4 H1.5 D0.5 N2 O4 -","- C4 H1.496 D0.504 N2 O4 -","- C16 H5.984 D2.016 N8 O16 -","4","0.5","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Parsons, Simon; Tellam, James P.","Alloxan under pressure-squeezing an extremely dense molecular crystal structure.","Chemical communications (Cambridge, England)","2020","56","47","6428","6431","10.1039/d0cc02418j","powder diffraction","","","Neutron","","","","","","","","","1.8254","1.01741","","","","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7126921","15.924","0.005","15.924","0.005","9.853","0.003","90","","90","","90","","2498.5","1.3","300","2","300.13","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H8 O5 P W -","- C10 H8 O5 P W -","- C80 H64 O40 P8 W8 -","8","1","","Wang, Min; Yang, Tingting; Tian, Rongqiang; Wei, Donghui; Duan, Zheng; Mathey, François","The chemistry of phosphirane-substituted phosphinidene complexes.","Chemical communications (Cambridge, England)","2020","56","67","9707","9710","10.1039/d0cc04501b","","","0.71073","MoKα","","0.0898","0.0582","","","0.1022","0.1107","","","","","","1.121","","","","has coordinates","256029","2020-10-21","18:00:00",""
"7129319","12.9864","0.0002","12.9864","0.0002","28.774","0.0006","90","","90","","90","","4852.64","0.15","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C29 H18 F3 N O2 -","- C29 H18 F3 N O2 -","- C232 H144 F24 N8 O16 -","8","1","","Matišić, Mateja; Gredičak, Matija","Enantioselective construction of a tetrasubstituted stereocenter in isoindolinones via an organocatalyzed reaction between ketones and 3-hydroxyisoindolinones","Chemical Communications","2021","","","","","10.1039/D1CC05761H","","","1.54184","CuKα","","0.0679","0.0569","","","0.1629","0.1775","","","","","","1.059","","","","has coordinates","270914","2021-11-29","22:57:47",""
"7129887","12.7413","0.0004","12.7413","0.0004","37.1305","0.0016","90","","90","","90","","6027.8","0.4","173","","173","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C17 H17 Cl O2 -","- C17 H17 Cl O2 -","- C272 H272 Cl16 O32 -","16","2","","Li, Jingjing; Ye, Jianxun; Zhou, Jiayu; Li, Jing; Liu, Delong; Zhang, Wanbin","RuPHOX-Ru Catalyzed Asymmetric Hydrogenation of α-Substituted Tetralones via a Dynamic Kinetic Resolution","Chemical Communications","2022","","","","","10.1039/D2CC01193J","","","1.54178","CuKα","","0.079","0.0706","","","0.2007","0.21","","","","","","1.098","","","","has coordinates,has disorder","273935","2022-03-23","22:55:34",""
"7130546","7.7052","0.0001","7.7052","0.0001","36.3563","0.0005","90","","90","","90","","2158.48","0.05","300","2","300","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H13 N O3 S -","- C10 H13 N O3 S -","- C80 H104 N8 O24 S8 -","8","1","","Song, Xian-Jiang; Tang, Shu-Yu; Chen, Xiao-Gang; Ai, Yong","Chemical Design Homochiral Heterocyclic Organic Ferroelectric Crystals","Chemical Communications","2022","","","","","10.1039/D2CC03881A","","","1.54184","CuKα","","0.0388","0.0363","","","0.0975","0.099","","","","","","1.069","","","","has coordinates","277285","2022-08-17","21:59:04",""
"7130701","30.215","0.004","30.215","0.004","21.126","0.004","90","","90","","90","","19287","5","100","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C95 H96 B2 F14 Fe2 N22 O5 Si -","- C88 H78 B2 F14 Fe2 N20 O2 Si -","- C704 H624 B16 F112 Fe16 N160 O16 Si8 -","8","1","","Capó, Nuria; Barrios, Leoní A; Cardona, Joan; Ribas-Ariño, Jordi; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","The template effect of a SiF<sub>6</sub><sup>2-</sup> guest drives the formation of a heteroleptic Fe(II) coordination helicate.","Chemical communications (Cambridge, England)","2022","58","78","10969","10972","10.1039/d2cc04559a","","","0.72932","","","0.0838","0.0799","","","0.2312","0.2422","","","","","","1.038","","","","has coordinates,has disorder","278401","2022-10-07","00:42:45",""
"7131969","7.0067","0.0001","7.0067","0.0001","48.305","0.003","90","","90","","90","","2371.48","0.15","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C8 H24 Bi0.67 I6 N4 -","- C8 H24 Bi0.6667 I6 N4 -","- C32 H96 Bi2.6668 I24 N16 -","4","0.5","","Peng, Hang; Liu, Qin; Lu, Yan-Zi; Yang, Shu-Jing; Qi, Jun-Chao; Chen, Xiao-Gang; Liao, Wei-Qiang","A chiral two-dimensional perovskite-like lead-free bismuth(III) iodide hybrid with high phase transition temperature.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02798h","","","0.71073","MoKα","","0.0534","0.052","","","0.1378","0.1386","","","","","","1.085","","","","has coordinates","285451","2023-08-04","21:55:54",""
"7133284","8.4145","0.0003","8.4145","0.0003","56.119","0.004","90","","90","","90","","3973.4","0.3","223","2","223","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C21 H21 N O6 S -","- C21 H21 N O6 S -","- C168 H168 N8 O48 S8 -","8","1","","Yang, Ji Seon; Kim, Sung-Gon","Catalytic enantioselective [3+2] and [4+2]-annulation of cyclic <i>N</i>-sulfonyl ketimines with γ- or δ-hydroxy-α,β-unsaturated ketones.","Chemical communications (Cambridge, England)","2024","60","61","7954","7957","10.1039/d4cc02734e","","","0.71073","MoKα","","0.1172","0.047","","","0.0918","0.1172","","","","","","1.052","","","","has coordinates","293717","2024-08-05","17:35:15",""
"7133386","20.4503","0.0004","20.4503","0.0004","54.8956","0.0015","90","","90","","90","","22958.2","0.9","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C212 H132 Ag2 N4 O36 P4 Ti4 -","- C212 H132 Ag2 N4 O36 P4 Ti4 -","- C848 H528 Ag8 N16 O144 P16 Ti16 -","4","0.5","","Yuan, Yuan; Zhang, Dong-Hui; Li, Qiao-Hong; Chen, Shu-Mei; He, Yan-Ping; Zhang, Jian","Combining Ti<sub>4</sub>(embonate)<sub>6</sub> anionic cages and π-conjugated coordination cations for highly effective optical limiting.","Chemical communications (Cambridge, England)","2024","60","66","8748","8751","10.1039/d4cc02938k","","x-ray","1.54184","CuKα","","0.1207","0.059","","","0.1631","0.202","","","","","","0.933","","","","has coordinates","294436","2024-09-05","23:17:41",""
"7133817","18.1052","0.0004","18.1052","0.0004","13.2724","0.0003","90","","90","","90","","4350.67","0.17","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H21.5 N3.5 O3.5 Zn -","- C13 H13 N3 O2 Zn -","- C104 H104 N24 O16 Zn8 -","8","1","","Fu, Hong-Ru; Zhang, Ruo-Yu; Li, Ting; Wei, Chen-Ying; Liu, Shuang; Xu, Jia-Yi; Zhu, Xueli; Wei, Jiaojiao; Ding, Qing-Rong; Ma, Lu-Fang","Color-tunable and white circularly polarized luminescence through confining guests into chiral MOFs.","Chemical communications (Cambridge, England)","2024","60","74","10212","10215","10.1039/d4cc03164d","","x-ray","0.71073","MoKα","","0.0475","0.0379","","","0.0846","0.088","","","","","","0.976","","","","has coordinates,has disorder","295033","2024-10-04","04:44:05",""
"7150456","10.7633","0.0001","10.7633","0.0001","31.3398","0.0005","90","","90","","90","","3630.67","0.08","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","Compound X","","","- C10 H16 O -","- C10 H16 O -","- C160 H256 O16 -","16","2","","Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar","Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols","Org. Biomol. Chem.","2003","1","4","700","704","10.1039/b209427d","","","0.71073","MoKα","","0.0606","0.0482","","","0.1244","0.132","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151177","9.905","0.001","9.905","0.001","39.488","0.001","90","","90","","90","","3874.1","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C15 H22 F3 N O6 S2 -","- C15 H22 F3 N O6 S2 -","- C120 H176 F24 N8 O48 S16 -","8","1","","Chen, Yue-Lei; Redlich, Hartmut; Bergander, Klaus; Fröhlich, Roland","D-glucosamine trimethylene dithioacetal derivatives: formation of six- and seven-membered ring amino carbasugars. Synthesis of (-)-calystegine B3.","Organic & biomolecular chemistry","2007","5","20","3330","3339","10.1039/b711112f","","","1.54178","CuKα","","0.0499","0.0476","","","0.137","0.1405","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151620","19.184","0.003","19.184","0.003","10.165","0.004","90","","90","","90","","3741","1.7","180","2","180","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H26 F2 O8 -","- C16 H26 F2 O8 -","- C128 H208 F16 O64 -","8","1","","Frederickson, Martyn; Roszak, Aleksander W.; Coggins, John R.; Lapthorn, Adrian J.; Abell, Chris","(1R,4S,5R)-3-Fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid: the fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases.","Organic & biomolecular chemistry","2004","2","11","1592","1596","10.1039/b404535a","","","0.71069","MoKα","","0.0738","0.0473","","0.1077","0.096","","","","1.024","1.07","1.07","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151784","9.727","0.003","9.727","0.003","25.904","0.032","90","","90","","90","","2451","3","294","2","294","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C15 H14 N O2 -","- C15 H14 N O2 -","- C120 H112 N8 O16 -","8","1","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.1108","0.0542","","","0.1488","0.1717","","","","","","1.059","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7152057","11.6427","0.0003","11.6427","0.0003","24.4087","0.0011","90","","90","","90","","3308.66","0.19","123","2","123","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","10200","","","- C16 H19 Br O5 -","- C16 H19 Br O5 -","- C128 H152 Br8 O40 -","8","1","","Tello-Aburto, Rodolfo; Kalstabakken, Kyle A.; Volp, Kelly A.; Harned, Andrew M.","Regioselective and stereoselective cyclizations of cyclohexadienones tethered to active methylene groups.","Organic & biomolecular chemistry","2011","9","22","7849","7859","10.1039/c1ob06125a","","","0.71073","MoKα","","0.0288","0.0271","","","0.0741","0.0754","","","","","","1.022","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152441","12.3304","0.0017","12.3304","0.0017","38.821","0.008","90","","90","","90","","5902.3","1.7","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C33 H42 Cl N O4 -","- C33 H42 Cl N O4 -","- C264 H336 Cl8 N8 O32 -","8","1","","Chen, Song; Rong, Chao; Feng, Pengju; Li, Songlei; Shi, Yian","Stereoselective construction of the tetracyclic core of Cryptotrione.","Organic & biomolecular chemistry","2012","10","29","5518","5520","10.1039/c2ob25923k","","","0.71073","MoKα","","0.0932","0.0906","","","0.1577","0.1587","","","","","","1.321","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7153190","10.807","0.0004","10.807","0.0004","40.306","0.003","90","","90","","90","","4707.4","0.4","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H26 Br N3 O -","- C26 H26 Br N3 O -","- C208 H208 Br8 N24 O8 -","8","1","","Martínez-Muñoz, Aurora; Monge, David; Martín-Zamora, Eloísa; Marqués-López, Eugenia; Alvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M","Asymmetric organocatalytic Strecker-type reactions of aliphatic N,N-dialkylhydrazones.","Organic & biomolecular chemistry","2013","11","47","8247","8255","10.1039/c3ob41437j","","","0.71073","MoKα","","0.0492","0.0314","","","0.068","0.0741","","","","","","1.008","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7155020","5.9872","0.0009","5.9872","0.0009","60.571","0.009","90","","90","","90","","2171.3","0.6","296","2","296","2","","","","","","","synthesis","5","P 41 21 2","P 4abw 2nw","92","","1S,3R-albucidin","","- C9 H11 D2 N5 O3 -","- C9 H11 D2 N5 O3 -","- C72 H88 D16 N40 O24 -","8","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","0.71073","MoKα","","0.082","0.0814","","","0.1836","0.1839","","","","","","1.194","","","","has coordinates","181780","2020-10-21","18:00:00",""
"7156077","8.791","0.0001","8.791","0.0001","38.3254","0.0008","90","","90","","90","","2961.85","0.08","100","2","100","0.14","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H16 N2 O8 S -","- C12 H16 N2 O8 S -","- C96 H128 N16 O64 S8 -","8","1","","Vejlegaard, Kim; Wegeberg, Christina; McKee, Vickie; Wengel, Jesper","Novel conformationally constrained 2'-C-methylribonucleosides: synthesis and incorporation into oligonucleotides.","Organic & biomolecular chemistry","2018","16","8","1312","1321","10.1039/c7ob02663c","","x-ray","1.54184","CuKα","","0.0519","0.0465","","","0.1111","0.1146","","","","","","1.042","","","","has coordinates","230648","2020-10-21","18:00:00",""
"7156740","8.84318","0.00016","8.84318","0.00016","47.459","0.0011","90","","90","","90","","3711.38","0.13","297.71","0.1","297.71","0.1","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C160 H192 O56 -","8","1","","Yang, Xing; Yuan, Po; Shui, Feng; Zhou, Yuqin; Chen, Xiaochuan","A divergent strategy to synthesize gabosines featuring a switchable two-way aldol cyclization.","Organic & biomolecular chemistry","2019","17","16","4061","4072","10.1039/c9ob00469f","","x-ray","1.54184","CuKα","","0.078","0.0745","","","0.1895","0.1909","","","","","","1.115","","","","has coordinates","225168","2020-10-21","18:00:00",""
"7156822","18.4591","0.0005","18.4591","0.0005","40.8718","0.0014","90","","90","","90","","13926.6","0.7","173","2","173.15","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C72 H51 B F24 Ir N2 P -","- C72 H51 B F24 Ir N2 P -","- C576 H408 B8 F192 Ir8 N16 P8 -","8","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","","0.71073","MoKα","","0.0734","0.0679","","","0.108","0.1095","","","","","","1.271","","","","has coordinates,has disorder","225189","2020-10-21","18:00:00",""
"7156826","18.457","0.003","18.457","0.003","41.453","0.008","90","","90","","90","","14121","4","173","2","173.15","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C72 H57 B F24 Ir N2 P -","- C72 H57 B F24 Ir N2 P -","- C576 H456 B8 F192 Ir8 N16 P8 -","8","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","","0.71073","MoKα","","0.0957","0.09","","","0.1633","0.1652","","","","","","1.303","","","","has coordinates,has disorder","225189","2020-10-21","18:00:00",""
"7157070","10.7127","0.0002","10.7127","0.0002","27.9476","0.0006","90","","90","","90","","3207.32","0.11","253","0.1","253","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C31 H42 Cl2 N2 O4 P2 -","- C31 H42 Cl2 N2 O4 P2 -","- C124 H168 Cl8 N8 O16 P8 -","4","0.5","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.028","0.0278","","","0.0741","0.0744","","","","","","1.054","","","","has coordinates,has disorder","225295","2020-10-21","18:00:00",""
"7157965","13.0989","0.0006","13.0989","0.0006","27.9396","0.001","90","","90","","90","","4793.9","0.4","100","","100","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C26 H18 F3 N O3 S3 -","- C26 H18 F3 N O3 S3 -","- C208 H144 F24 N8 O24 S24 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0559","0.0491","","","0.1256","0.1332","","","","","","1.043","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7158359","10.2285","0.0003","10.2285","0.0003","31.7311","0.001","90","","90","","90","","3319.78","0.17","101","2","101","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C40 H50 O13 -","- C40 H44 O13 -","- C160 H176 O52 -","4","0.5","","Liu, Shuai; Zhang, Cui-Shan; Ran, Xiao-Qian; Tang, Xiao-Han; Guo, Ya-Rong; Yan, Ying; Yao, Yong-Gang; Hao, Xiao-Jiang; Luo, Rong-Can; Di, Ying-Tong","Perforalactones D and E, two new C-20 quassinoids with potential activity to induce lysosomal biogenesis from the twigs of <i>Harrisonia perforata</i> (Blanco) Merr.","Organic & biomolecular chemistry","2021","19","44","9637","9640","10.1039/d1ob01927a","","","1.54178","CuKα","","0.0575","0.0575","","","0.1702","0.1702","","","","","","1.12","","","","has coordinates","271213","2021-12-07","03:51:16",""
"7159982","9.3897","0.0001","9.3897","0.0001","28.9002","0.0006","90","","90","","90","","2548.03","0.07","298","","298","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C96 H96 Cl8 N24 O16 -","8","1","","Lin, Bohong; Ruan, Yaoping; Hou, Qi; Yuan, Zhijun; Liang, Yunshi; Zhang, Jing","Regioselective 5-<i>exo-dig</i> (halo)cyclization of <i>N</i>-propargyloxycarbonyl guanidine derivatives under mild conditions.","Organic & biomolecular chemistry","2024","22","27","5585","5590","10.1039/d4ob00579a","","","0.71073","MoKα","","0.0469","0.0412","","","0.0979","0.1008","","","","","","1.043","","","","has coordinates","293933","2024-08-05","19:58:50",""
"7201061","8.9455","0.0013","8.9455","0.0013","16.51","0.003","90","","90","","90","","1321.2","0.4","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- Cr2 O16 P4 Pb3 -","- Cr2 O16 P4 Pb3 -","- Cr8 O64 P16 Pb12 -","4","0.5","","Mao, Shaoyu; Mao, Yanping; Batchelor, Raymond J.; Guo, Haiyan; Ye, Zuo-Guang; Xie, Zhaoxiong; Zheng, Lansun","Polymorphic structures and properties of lead chromium phosphate Pb3Cr2(PO4)4","Journal of Materials Chemistry","2009","19","33","6034","","10.1039/b904277f","","","0.71073","MoKα","","0.0808","0.0713","","","0.1968","0.2021","","","","","","1.11","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201097","16.11","0.003","16.11","0.003","43.693","0.006","90","","90","","90","","11340","3","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C27.75 H29.5 N4.5 Ni O6.5 -","- C27.75 H29.25 N4.5 Ni O6.5 -","- C444 H468 N72 Ni16 O104 -","16","2","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0655","0.0463","","","0.1027","0.1109","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201112","9.9192","0.0004","9.9192","0.0004","17.2456","0.0012","90","","90","","90","","1696.8","0.15","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C9 H16 O2 -","- C9 H16 O2 -","- C72 H128 O16 -","8","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Butkus, Eugenijus; Wendt, Ola F.; Öhrström, Lars; Wärnmark, Kenneth","Network analysis of bicyclo[3.3.1]nonanes: the diol, the dione and the acetal","CrystEngComm","2009","11","9","1837","","10.1039/b905122h","","","0.71073","MoKα","","0.0423","0.0376","","","0.1105","0.1156","","","","","","1.153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202221","9.4587","0.0013","9.4587","0.0013","21.123","0.004","90","","90","","90","","1889.8","0.5","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H10 Cd3 N4 O14 -","- C14 H10 Cd3 N4 O14 -","- C56 H40 Cd12 N16 O56 -","4","0.5","","Zhang, Jian-Yong; Yue, Qi; Jia, Qin-Xiang; Cheng, Ai-Ling; Gao, En-Qing","Syntheses, structures and luminescence properties of cadmium(II) coordination polymers with in situ formed oxalate and bis(chelating) bridging ligands","CrystEngComm","2008","10","10","1443","","10.1039/b807165a","","","0.71073","MoKα","","0.0269","0.0268","","","0.0622","0.0622","","","","","","1.27","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202374","9.6479","0.0001","9.6479","0.0001","27.5887","0.0003","90","","90","","90","","2568.01","0.05","173","2","173","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C31 H34 B N3 -","- C31 H34 B N3 -","- C124 H136 B4 N12 -","4","0.5","","Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","A strategy for the propagation of hydrogen-bonding in bicyclic guanidinium salts","CrystEngComm","2008","","","","","10.1039/b811191j","","x-ray","0.71073","MoKα","","0.0566","0.0542","","","0.1361","0.1387","","","","","","1.04","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202849","25.512","0.0005","25.512","0.0005","12.9978","0.0004","90","","90","","90","","8459.8","0.4","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C69 H103 Ba Cl9 O20 U -","- C69 H98 Ba Cl9 O20 U -","- C276 H392 Ba4 Cl36 O80 U4 -","4","0.5","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.0543","0.0456","","","0.1198","0.1238","","","","","","0.982","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7205514","20.379","0.003","20.379","","16.588","0.002","90","","90","","90","","6889.1","1.3","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C70 H78 Ag2 B2 F8 N14 -","- C70 H78 Ag2 B2 F8 N14 -","- C280 H312 Ag8 B8 F32 N56 -","4","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.059","0.0418","","","0.1046","0.1114","","","","","","1.065","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7207628","9.227","","9.227","","43.99","0.003","90","","90","","90","","3745.2","0.3","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C11 H13 Br3 N2 O7 Pb -","- C11 H13 Br3 N2 O7 Pb -","- C88 H104 Br24 N16 O56 Pb8 -","8","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.0396","0.0341","","","0.0805","0.0826","","","","","","1.069","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207860","14.672","0.002","14.672","0.002","22.225","0.004","90","","90","","90","","4784.3","1.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C39 H38 N6 O27.5 Zn4 -","- C39 H38 N6 O27.5 Zn4 -","- C156 H152 N24 O110 Zn16 -","4","0.5","","He, Jianghong; Zhang, Guangju; Xiao, Dongrong; Chen, Haiyan; Yan, Shiwei; Wang, Xin; Yang, Juan; Wang, Enbo","Helicity controlled by the chirality of amino acid: two novel enantiopure chiral 3D architectures containing fivefold interwoven helices","CrystEngComm","2012","14","10","3609","","10.1039/c2ce25038a","","","0.71073","MoKα","","0.1264","0.0756","","","0.1662","0.1876","","","","","","1.268","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208399","15.1751","0.0003","15.1751","0.0003","22.5604","0.0008","90","","90","","90","","5195.3","0.2","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H36 N6 O14 Zn3 -","- C26 H14 N4 O12 Zn3 -","- C104 H56 N16 O48 Zn12 -","4","0.5","","Shen, Lingjuan; Gray, Danielle; Masel, Richard I.; Girolami, Gregory S.","Synthesis and characterization of a zinc metal‒organic framework with chiral nano-pores","CrystEngComm","2012","14","16","5145","","10.1039/c2ce25780g","","","1.54178","CuKα","","0.0427","0.0422","","","0.1174","0.1178","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208961","17.6673","0.0004","17.6673","0.0004","15.1787","0.0006","90","","90","","90","","4737.8","0.2","120","2","120","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H24 O12 Y2 -","- C18 H24 O12 Y2 -","- C144 H192 O96 Y16 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0416","0.0393","","","0.0971","0.0985","","","","","","1.088","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7209671","13.627","0.004","13.627","0.004","36.416","0.012","90","","90","","90","","6762","4","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C60 H56 N10 O17 -","- C60 H56 N10 O17 -","- C240 H224 N40 O68 -","4","0.5","","Konar, Anita Dutt","Can a single pyridinedicarboxylic acid be ample enough to nucleate supramolecular double helices in enantiomeric pseudopeptides?","CrystEngComm","2013","15","13","2466","","10.1039/c3ce26912d","","","0.71073","MoKα","","0.1765","0.0917","","","0.2331","0.2713","","","","","","0.931","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209828","12.1082","0.0003","12.1082","0.0003","24.2726","0.0007","90","","90","","90","","3558.57","0.16","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C17 H12 Ag F3 N4 O2 -","- C17 H12 Ag F3 N4 O2 -","- C136 H96 Ag8 F24 N32 O16 -","8","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0407","0.0354","","","0.0946","0.0993","","","","","","1.07","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7210596","10.5749","0.0015","10.5749","0.0015","16.256","0.003","90","","90","","90","","1817.9","0.5","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H10 Cd N12 O2 -","- C14.04 H10 Cd N12.008 O2 -","- C56.16 H40 Cd4 N48.032 O8 -","4","0.5","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0581","0.0479","","","0.1112","0.1159","","","","","","1.066","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210691","8.2456","0.0018","8.2456","0.0018","33.852","0.011","90","","90","","90","","2301.6","1","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H14 Cd N2 O8 S2 -","- C22 H14 Cd N2 O8 S2 -","- C88 H56 Cd4 N8 O32 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker","CrystEngComm","2013","15","14","2745","","10.1039/c3ce26686a","","","0.71073","MoKα","","0.0176","0.0176","","","0.0471","0.0471","","","","","","1.077","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210962","20.467","0.003","20.467","0.003","34.344","0.007","90","","90","","90","","14387","4","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C44 H50 Cu2 Mn2 N6 O21 -","- C44 H44 Cu2 Mn2 N6 O21 -","- C352 H352 Cu16 Mn16 N48 O168 -","8","1","","Grancha, Thais; Tourbillon, Clarisse; Ferrando-Soria, Jesús; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Self-assembly of a chiral three-dimensional manganese(ii)‒copper(ii) coordination polymer with a double helical architecture","CrystEngComm","2013","15","45","9312","","10.1039/c3ce41022f","","x-ray","0.7379","monocromaticsynchrotron","","0.0842","0.0788","","","0.2218","0.2274","","","","","","1.07","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7212483","21.073","0.004","21.073","0.004","6.9309","0.0014","90","","90","","90","","3077.8","1","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H42 Cu N2 O10 -","- C30 H42 Cu N2 O10 -","- C120 H168 Cu4 N8 O40 -","4","0.5","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.035","0.0333","","","0.0714","0.0722","","","","","","1.06","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7213153","12.69","0.02","12.69","0.02","29.55","0.05","90","","90","","90","","4759","13","150","2","150","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C24 H23 Cr O4 P Si -","- C24 H23 Cr O4 P Si -","- C192 H184 Cr8 O32 P8 Si8 -","8","1","","Ariffin, Azhar; Blake, Alexander J.; Ewin, Richard A.; Li, Wan-Sheung; Simpkins, Nigel S.","The asymmetric synthesis of phosphorus- and sulfur-containing tricarbonyl(η6-arene)chromium complexes using the chiral base approach","Journal of the Chemical Society, Perkin Transactions 1","1999","","21","3177","","10.1039/a905610f","","","0.71073","MoKα","","0.0877","0.0536","","","0.095","0.1081","","","","","","1.16","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7214621","11.2689","0.0005","11.2689","0.0005","29.897","0.002","90","","90","","90","","3796.6","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H20 N4 Ni2 O14 -","- C36 H20 N4 Ni2 O14 -","- C144 H80 N16 Ni8 O56 -","4","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.099","0.0892","","","0.2414","0.249","","","","","","1.108","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214760","10.275","0.0003","10.275","0.0003","37.3096","0.001","90","","90","","90","","3938.98","0.19","173","2","173","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C44 H60 N2 O4 -","- C44 H60 N2 O4 -","- C176 H240 N8 O16 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.0827","0.0671","","","0.1589","0.1706","","","","","","1.073","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7216453","10.3388","0.0007","10.3388","0.0007","9.4073","0.0012","90","","90","","90","","1005.55","0.16","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C2 H8 Al Ge3 N O8 -","- C2 H4 Al Ge3 N O8 -","- C8 H16 Al4 Ge12 N4 O32 -","4","0.5","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.0306","0.0288","","","0.1166","0.1179","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216463","16.529","0.002","16.529","0.002","16.604","0.002","90","","90","","90","","4536.3","0.9","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C40 H38 Cl2 N8 O11 S4 Zn -","- C40 H38 Cl2 N8 O11 S4 Zn -","- C160 H152 Cl8 N32 O44 S16 Zn4 -","4","0.5","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71073","MoKα","","0.0511","0.046","","","0.1156","0.1195","","","","","","1.021","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216862","14.8357","0.0007","14.8357","0.0007","6.7854","0.0006","90","","90","","90","","1493.45","0.17","291","2","291","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H16 Ca4 F16 O24 -","- C32 H16 Ca4 F16 O24 -","- C32 H16 Ca4 F16 O24 -","1","0.125","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.056","0.0525","","","0.1281","0.1287","","","","","","1.042","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216939","14.798","0.002","14.798","0.002","40.113","0.008","90","","90","","90","","8784","2","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C44 H52 O12 S4 -","- C44 H52 O12 S4 -","- C352 H416 O96 S32 -","8","1","","","Experimental and theoretical study of the first thiacalixcrowns and their alkali metal ion complexes","Journal of the Chemical Society, Perkin Transactions 2","2001","","10","1920","","10.1039/b104854f","","","0.71073","MoKα","","0.2036","0.092","","","0.1786","0.2326","","","","","","0.958","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7219150","14.5037","0.0006","14.5037","0.0006","18.1126","0.001","90","","90","","90","","3810.1","0.3","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C43 H40 Cl2 Hg N6 O3 -","- C43 H40 Cl2 Hg N6 O3 -","- C172 H160 Cl8 Hg4 N24 O12 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0235","0.022","","","0.0545","0.0556","","","","","","1.004","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7222804","7.794","","7.794","","14.413","","90","","90","","90","","875.538","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","(La1.72 Y2.28) Y Si4","","- La1.72 Si4 Y3.28 -","- La1.72 Si4 Y3.28 -","- La6.88 Si16 Y13.12 -","4","0.5","","Rodewald, U.C.; Heying, B.; Poettgen, R.; Johrendt, D.; Hoffmann, R.D.","Ternary rare earth metal silicides RE2 RE'3 Si4 with orthorhombic Sm5 Ge4 or tetragonal Zr5 Si4 type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","174","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","165041","2020-10-21","18:00:00",""
"7222806","7.7857","","7.7857","","14.339","","90","","90","","90","","869.189","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","(Ce1.82 Lu2.18) Lu Si4","","- Ce1.82 Lu3.18 Si4 -","- Ce1.82 Lu3.18 Si4 -","- Ce7.28 Lu12.72 Si16 -","4","0.5","","Rodewald, U.C.; Heying, B.; Johrendt, D.; Hoffmann, R.D.; Poettgen, R.","Ternary rare earth metal silicides RE2 RE'3 Si4 with orthorhombic Sm5 Ge4 or tetragonal Zr5 Si4 type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","174","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","165047","2020-10-21","18:00:00",""
"7224669","11.3011","0.0002","11.3011","0.0002","30.7585","0.0011","90","","90","","90","","3928.32","0.17","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H12 O13 Ru2 -","- C14 H12 O13 Ru2 -","- C112 H96 O104 Ru16 -","8","1","","Yang, Jindou; Wang, Xian; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Formation of A Robust Ru4O4 Skeleton with Two Ru2(CO)4 Units in Criss-Cross Configuration","RSC Adv.","2016","","","","","10.1039/C6RA02558G","","","0.71073","MoKα","","0.05","0.0445","","","0.0862","0.0889","","","","","","1.165","","","","has coordinates","178867","2020-10-21","18:00:00",""
"7225794","12.344","0.0017","12.344","0.0017","17.575","0.004","90","","90","","90","","2678","0.8","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H27 N6 O5.5 Zn -","- C28 H24 N6 O4 Zn -","- C112 H96 N24 O16 Zn4 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0364","0.0362","","","0.1185","0.1189","","","","","","1.157","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225795","12.469","0.0018","12.469","0.0018","17.439","0.003","90","","90","","90","","2711.3","0.7","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H27 Cd N6 O5.5 -","- C28 H24 Cd N6 O4 -","- C112 H96 Cd4 N24 O16 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0274","0.027","","","0.0661","0.0663","","","","","","1.127","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7226142","23.7111","0.0004","23.7111","0.0004","46.9783","0.0007","90","","90","","90","","26412","0.7","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C112 H108 Co2 N16 O4 S4 -","- C112 H108 Co2 N16 O4 S4 -","- C896 H864 Co16 N128 O32 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.144","0.0901","","","0.2552","0.2795","","","","","","0.95","","","","has coordinates,has disorder","185039","2020-10-21","18:00:00",""
"7226144","23.88216","0.00009","23.88216","0.00009","46.8514","0.0003","90","","90","","90","","26722.1","0.2","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C127 H138 Cl6 Co2 N16 O5 S4 -","- C127 H138 Cl6 Co2 N16 O5 S4 -","- C1016 H1104 Cl48 Co16 N128 O40 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.0954","0.0913","","","0.256","0.2615","","","","","","1.051","","","","has coordinates","185039","2020-10-21","18:00:00",""
"7226360","23.156","0.003","23.156","0.003","13.081","0.0016","90","","90","","90","","7014","1.5","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C62 H64 Cl N30 O25 -","- C62 H64 Cl N30 O27 -","- C248 H256 Cl4 N120 O108 -","4","0.5","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1112","0.0985","","","0.2363","0.2457","","","","","","1.106","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7228454","6.67372","0.00005","6.67372","0.00005","23.629","0.0003","90","","90","","90","","1052.4","0.017","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","cytosine/5-flucytosine solid solution I","4-aminopyrimidin-2(1H)-one/4-amino-5-fluoro-pyrimidin-2(1H)-one","","- C4 H4.393 F0.607 N3 O -","- C4 H4.393 F0.607 N3 O -","- C32 H35.144 F4.856 N24 O8 -","8","1","","Braun, Doris Elfriede; Griesser, Ulrich J.","Prediction and Experimental Validation of Solid Solutions and Isopolymorphs of Cytosine/5-Flucytosine","CrystEngComm","2017","","","","","10.1039/C7CE00939A","powder diffraction","","1.5418","","","","","","","","","","","1.983","","","","","","","has coordinates","197754","2020-10-21","18:00:00",""
"7230384","18.3893","0.0004","18.3893","0.0004","15.9702","0.0008","90","","90","","90","","5400.6","0.3","295","2","295","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C27 H34 N O4 P -","- C27 H34 N O4 P -","- C216 H272 N8 O32 P8 -","8","1","","Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk","Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates","RSC Advances","2018","8","22","11957","","10.1039/C8RA01656A","","x-ray","0.71073","MoKα","","0.0613","0.044","","","0.1028","0.1136","","","","","","1.034","","","","has coordinates","207150","2020-10-21","18:00:00",""
"7231049","9.9077","0.0012","9.9077","0.0012","21.33","0.003","90","","90","","90","","2093.8","0.5","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0197","0.0193","","","0.0502","0.0509","","","","","","1.127","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231051","9.8258","0.0019","9.8258","0.0019","21.005","0.005","90","","90","","90","","2028","0.7","95","2","95","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0164","0.0156","","","0.0405","0.0408","","","","","","1.08","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231052","9.8329","0.0012","9.8329","0.0012","21.061","0.002","90","","90","","90","","2036.3","0.4","95","2","95","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0266","0.0235","","","0.0565","0.0575","","","","","","1.04","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231119","6.8413","0.0003","6.8413","0.0003","18.8196","0.0012","90","","90","","90","","880.82","0.08","101.8","","101.8","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","3-Nitro-1,2,4-triazole","","- C2 H2 N4 O2 -","- C2 H2 N4 O2 -","- C16 H16 N32 O16 -","8","1","","Zhang, Pengcheng; Zhao, Xiuxiu; Du, Yao; Gozin, Michael; Li, Shenghua; Pang, Siping","Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole","RSC Advances","2018","8","43","24627","","10.1039/C8RA04116D","","","0.7107","MoKα","","0.041","0.0375","","","0.086","0.0883","","","","","","1.098","","","","has coordinates","208964","2020-10-21","18:00:00",""
"7231341","12.9994","0.0008","12.9994","0.0008","29.744","0.002","90","","90","","90","","5026.3","0.6","170","2","170","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C50 H54 N6 O15 S2 -","- C50 H54 N6 O15 S2 -","- C200 H216 N24 O60 S8 -","4","0.5","","Wang, Feng-Yuan; Zhang, Qi; Zhang, Zaiyong; Gong, Xiaoyi; Wang, Jian-Rong; Mei, Xuefeng","Solid-state characterization and solubility enhancement of apremilast drug‒drug cocrystals","CrystEngComm","2018","20","39","5945","","10.1039/C8CE00689J","","","0.71073","MoKα","","0.0949","0.06","","","0.1552","0.1776","","","","","","1.06","","","","has coordinates,has disorder","228971","2020-10-21","18:00:00",""
"7231342","13.13","0.0003","13.13","0.0003","28.8287","0.0006","90","","90","","90","","4969.98","0.19","50","","50","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H55 N8 O16 S2 -","- C51 H55 N8 O16 S2 -","- C204 H220 N32 O64 S8 -","4","0.5","","Wang, Feng-Yuan; Zhang, Qi; Zhang, Zaiyong; Gong, Xiaoyi; Wang, Jian-Rong; Mei, Xuefeng","Solid-state characterization and solubility enhancement of apremilast drug‒drug cocrystals","CrystEngComm","2018","20","39","5945","","10.1039/C8CE00689J","","","0.71073","MoKα","","0.1237","0.1208","","","0.2959","0.2985","","","","","","1.05","","","","has coordinates,has disorder","228971","2020-10-21","18:00:00",""
"7231894","15.934","0.002","15.934","0.002","12.007","0.002","90","","90","","90","","3048.5","0.7","293","1","293","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H30 N2 O4 Ti -","- C32 H30 N2 O4 Ti -","- C128 H120 N8 O16 Ti4 -","4","0.5","","Miller, Maya; Tshuva, Edit Y.","Racemic <i>vs.</i> enantiopure inert Ti(iv) complex of a single diaminotetrakis(phenolato) ligand in anticancer activity toward human drug-sensitive and -resistant cancer cell lines.","RSC advances","2018","8","69","39731","39734","10.1039/c8ra08925f","","","0.71073","MoKα","","0.0726","0.071","","","0.1658","0.1666","","","","","","1.367","","","","has coordinates","230972","2020-10-21","18:00:00",""
"7233000","10.704","0.004","10.704","","23.932","0.009","90","","90","","90","","2742","1.5","153","","153","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H15 N18 O15 -","- C16 H15 N18 O15 -","- C64 H60 N72 O60 -","4","0.5","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1337","0.0617","","","0.12","0.1592","","","","","","1.009","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7233315","16.5074","0.0005","16.5074","0.0005","36.8034","0.0014","90","","90","","90","","10028.7","0.6","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C49 H65 N3 O14 -","- C49 H65 N3 O14 -","- C392 H520 N24 O112 -","8","1","","Grepioni, F.; Braga, D.; Chelazzi, L.; Shemchuk, O.; Maffei, P.; Sforzini, A.; Viscomi, G. C.","Improving solubility and storage stability of rifaximin via solid-state solvation with Transcutol®","CrystEngComm","2019","21","35","5278","","10.1039/C9CE00567F","","","0.71073","MoKα","","0.2188","0.0907","","","0.1148","0.1481","","","","","","1.069","","","","has coordinates","223705","2020-10-21","18:00:00",""
"7234730","13.1742","0.0003","13.1742","0.0003","28.3375","0.0008","90","","90","","90","","4918.2","0.2","143.05","0.1","143.05","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C47 H35 Ir N6 O4 -","- C47 H35 Ir N6 O4 -","- C188 H140 Ir4 N24 O16 -","4","0.5","","Yan Jiao; Ming Li; Ning Wang; Tao Lu; Liang Zhou; Yan Huang; Zhiyun Lu; Daibing Luo; Xuemei Pu","A facile color-tuning strategy for constructing a library of Ir(iii) complexes with fine-tuned phosphorescence from bluish green to red using a synergetic substituent effect of -OCH3 and -CN at only the C-ring of C/Ν ligand","Journal of Materials Chemistry C","2016","4","","4269","4277","10.1039/C6TC00153J","","","0.71073","MoKα","","0.064","0.0597","","","0.1261","0.1279","","","","","","1.173","","","","has coordinates","219426","2020-10-21","18:00:00",""
"7237103","16.4174","0.0002","16.4174","0.0002","22.1831","0.0004","90","","90","","90","","5979.03","0.15","298","","298","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C21 H33 B Cu F4 N6 Se3 -","- C21 H33 B Cu F4 N6 Se3 -","- C168 H264 B8 Cu8 F32 N48 Se24 -","8","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","","1.54184","CuKα","","0.0478","0.0395","","","0.1024","0.112","","","","","","1.0445","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7240207","8.4509","0.0001","8.4509","0.0001","4.7354","0.0002","90","","90","","90","","338.191","0.015","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","a-H Al Na O5 P","","- Al H Na O5 P -","- Al Na O5 P -","- Al4 Na4 O20 P4 -","4","0.5","","Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan","Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses","CrystEngComm","2020","","","","","10.1039/D0CE00075B","","","1.54178","CuKα","","0.0598","0.0498","","","0.1544","0.1793","","","","","","1.227","","","","has coordinates","249769","2020-10-21","18:00:00",""
"7240585","8.0733","0.0012","8.0733","0.0012","101.06","0.017","90","","90","","90","","6586.9","1.8","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C37 H37 N3 O6 S -","- C37 H37 N3 O6 S -","- C296 H296 N24 O48 S8 -","8","1","","Riebe, Steffen; Zimmermann, Alexander; Koch, Johannes; Vallet, Cecilia; Knauer, Shirley K.; Sowa, Andrea; Wölper, Christoph; Voskuhl, Jens","Lipofection with estrone-based luminophores featuring aggregation-induced emission properties","RSC Advances","2020","10","33","19643","19647","10.1039/D0RA03608K","","","1.54178","CuKα","","0.0989","0.0985","","","0.2257","0.2258","","","","","","1.347","","","","has coordinates","258015","2020-10-21","18:00:00",""
"7242692","14.182","0.002","14.182","0.002","29.472","0.006","90","","90","","90","","5927.7","1.7","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C36 H44 Cu10 I4 N12 O S6 -","- C36 H42 Cu10 I4 N12 O S6 -","- C144 H168 Cu40 I16 N48 O4 S24 -","4","0.5","","Zhang, Meng Juan; Young, David James; Ma, Ji Long; Shao, Guo Quan","Copper(i) pyrimidine-2-thiolate cluster-based polymers as bifunctional visible-light-photocatalysts for chemoselective transfer hydrogenation of α,β-unsaturated carbonyls","RSC Advances","2021","11","25","14899","14904","10.1039/D1RA01102B","","","0.71073","MoKα","","0.0761","0.0637","","","0.137","0.1436","","","","","","1.107","","","","has coordinates","264391","2021-04-22","04:24:51",""
"7245196","9.4927","0.0005","9.4927","0.0005","47.965","0.005","90","","90","","90","","4322.2","0.6","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C23 H27 O6 P -","- C23 H27 O6 P -","- C184 H216 O48 P8 -","8","1","","Li, Hai; Yu, Kai-Cheng; Su, Jia-Kun; Ouyang, Wei; Fan, Nai-Li; Hu, Xiang-Guo","Photo-mediated synthesis of 1,2-dideoxy-2-phosphinylated carbohydrates from glycals: the reduction of glycosyl radicals to glycosyl anions","Green Chemistry","2022","24","21","8280","8291","10.1039/D2GC01513G","","","0.71073","MoKα","","0.0505","0.0454","","","0.0966","0.0988","","","","","","1.145","","","","has coordinates","278992","2022-11-07","05:26:47",""
"7245321","13.7056","0.0002","13.7056","0.0002","23.9209","0.0005","90","","90","","90","","4493.38","0.13","150","0.1","150","0.1","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C18 H24 S8 -","- C18 H24 S8 -","- C144 H192 S64 -","8","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0579","0.0486","","","0.1004","0.1045","","","","","","1.153","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7246777","7.3491","0.0002","7.3491","0.0002","34.1307","0.0012","90","","90","","90","","1843.37","0.1","120","2","120","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C14 H30 O13 -","- C14 H30 O13 -","- C56 H120 O52 -","4","0.5","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54184","CuKα","","0.0215","0.0213","","","0.0577","0.0579","","","","","","1.099","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246778","7.3472","0.0002","7.3472","0.0002","34.1458","0.0012","90","","90","","90","","1843.24","0.1","120","2","120","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C7 H15 O6.5 -","- C7 H15 O6.5 -","- C56 H120 O52 -","8","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54178","CuKα","","0.0255","0.0217","","","0.0583","0.0586","","","","","","1.092","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7247229","12.205","0.0003","12.205","0.0003","51.295","0.003","90","","90","","90","","7641","0.5","293","2","293","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C20 H40 Br8 F8 N4 Pb2 -","- C20 H40 Br8 F8 N4 Pb2 -","- C160 H320 Br64 F64 N32 Pb16 -","8","1","","Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia","Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites","CrystEngComm","2023","25","35","5029","5034","10.1039/D3CE00644A","","","0.71073","MoKα","","0.0979","0.071","","","0.1473","0.1575","","","","","","1.04","","","","has coordinates","286744","2023-10-06","00:07:46",""
"7248141","18.1361","0.0009","18.1361","0.0009","26.421","0.002","90","","90","","90","","8690.3","0.9","193","","193","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C43 H40 Cd N10 O12 -","- C37 H22 Cd N8 O8 -","- C296 H176 Cd8 N64 O64 -","8","1","","Huang, Zi-Qing; Chen, Jia-Qi; Zhang, Xiao-Yu; Yuan, Cheng-Kai; Wang, Peng; Zhao, Yue; Zhao, Bao-Cheng; Qi, Wei-Xin; Sun, Wei-Yin","Cd(ii) and Zn(ii) coordination polymer-assisted CO2/cyclohexene oxide copolymerization with a double metal cyanide catalyst","CrystEngComm","2024","26","12","1701","1709","10.1039/D3CE01289A","","x-ray","1.34139","GaKα","","0.0381","0.0314","","","0.0795","0.0823","","","","","","1.034","","","","has coordinates","290906","2024-04-04","23:12:04",""
"7248275","9.4279","0.0002","9.4279","0.0002","25.1636","0.0007","90","","90","","90","","2236.67","0.09","150","","150","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C12 H16 Cl6 I2 N2 Te -","- C12 H16 Cl6 I2 N2 Te -","- C48 H64 Cl24 I8 N8 Te4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0274","0.0226","","","0.0378","0.039","","","","","","1.048","","","","has coordinates","290892","2024-04-04","23:08:05",""
"7248314","13.32025","0.00013","13.32025","0.00013","31.8915","0.0006","90","","90","","90","","5658.48","0.13","297","2","297","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","R-Binol ; (R,R)-DADPE","(R)-(+)-1,1?-Bi(2-naphthol) ; (1R,2R)-N,N?-Dimethyl-1,2-diphenylethane-1,2-diamine","","- C34 H30 N2 O2 -","- C34 H30 N2 O2 -","- C272 H240 N16 O16 -","8","1","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Baillieux, Simon; Robeyns, Koen; Leyssens, Tom","Using the nature of the achiral solvent to orient chiral resolution","CrystEngComm","2024","26","15","2056","2059","10.1039/D4CE00124A","","","0.71073","MoKα","","0.0449","0.0394","","","0.1066","0.1101","","","","","","1.089","","","","has coordinates,has disorder","291599","2024-05-05","02:20:59",""
"7701057","10.2477","0.0001","10.2477","0.0001","28.1421","0.0005","90","","90","","90","","2955.35","0.07","150","0.1","150","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H42.4 Fe N2 O5.3 -","- C30 H41.4 Fe N2 O5.3 -","- C120 H165.6 Fe4 N8 O21.2 -","4","0.5","","Driscoll, Oliver J.; Hafford-Tear, Claudia H; McKeown, Paul; Stewart, Jack A.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Jones, Matthew D.","The synthesis, characterisation and application of iron(iii)-acetate complexes for cyclic carbonate formation and the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15049","15058","10.1039/c9dt03327k","","","1.54184","CuKα","","0.0392","0.0355","","","0.0966","0.0999","","","","","","1.063","","","","has coordinates,has disorder","224242","2020-10-21","18:00:00",""
"7701340","8.9094","0.0002","8.9094","0.0002","33.9781","0.0012","90","","90","","90","","2697.09","0.13","200","","200","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C24 H24 Cu F6 N4 O6 -","- C24 H24 Cu F6 N4 O6 -","- C96 H96 Cu4 F24 N16 O24 -","4","0.5","","Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana","Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03346g","","","0.71073","MoKα","","0.0488","0.0413","","","0.0985","0.1035","","","","","","1.056","","","","has coordinates","219233","2020-10-21","18:00:00",""
"7701348","6.86548","0.00005","6.86548","0.00005","45.5454","0.0006","90","","90","","90","","2146.77","0.04","298","","298","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Ca3(CH3-COO)4(HCOO)2*4H2O","","","- C10 H22 Ca3 O16 -","- C10 H2 Ca3 O16 -","- C40 H8 Ca12 O64 -","4","0.5","","Bette, Sebastian; Müller, Michael X; Eggert, Gerhard; Schleid, Thomas; Dinnebier, Robert E.","Efflorescence on calcareous objects in museums: crystallisation, phase characterisation and crystal structures of calcium acetate formate phases.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16062","16073","10.1039/c9dt03558c","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0339","","","","","","","","","has coordinates","224029","2020-10-21","18:00:00",""
"7701874","8.81004","0.0002","8.81004","0.0002","48.3804","0.0014","90","","90","","90","","3755.13","0.16","297","2","297.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H32 Cl4 Cu4 N4 O6 -","- C30 H32 Cl4 Cu4 N4 O6 -","- C120 H128 Cl16 Cu16 N16 O24 -","4","0.5","","Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel","Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03822A","","x-ray","0.71073","MoKα","","0.0748","0.0604","","","0.1288","0.1353","","","","","","1.196","","","","has coordinates","227637","2020-10-21","18:00:00",""
"7702699","9.993","0.001","9.993","0.001","34.575","0.007","90","","90","","90","","3452.7","0.9","293","2","293","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","1,8-Bis(fluoroboro)-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaaza- 4,5,11,12-tetraphenyl-17,18-methylthiobicyclo-[6.6.6]eicosa-3,5,10,12,16,18- hexaene iron(II)","","- C32 H26 B2 F2 Fe N6 O6 S2 -","- C32 H26 B2 F2 Fe N6 O6 S2 -","- C128 H104 B8 F8 Fe4 N24 O24 S8 -","4","0.5","","Voloshin, Yan Z.; Zavodnik, Valery E.; Varzatskii, Oleg A.; Belsky, Vitaly K.; Palchik, Aleksei V.; Strizhakova, Nataly G.; Vorontsov, Ivan I.; Antipin, Mikhail Yu.","Clathrochelate monoribbed-functionalized iron(ii) α-dioximates: synthetic pathways and structural and electrochemical features","Journal of the Chemical Society, Dalton Transactions","2002","","6","1193","","10.1039/b107021p","","","0.71073","MoKα","","0.056","0.0558","","","0.1696","0.1697","","","","","","1.106","","","","has coordinates","243964","2020-10-21","18:00:00",""
"7702795","9.9696","0.0003","9.9696","0.0003","17.5265","0.0004","90","","90","","90","","1742.01","0.08","150","0.1","150","0.1","","","","","","","CH2Cl2","5","P 41 21 2","P 4abw 2nw","92","","","","- C8 H20 Cl4 S4 Zr -","- C8 H16 Cl4 S4 Zr -","- C32 H64 Cl16 S16 Zr4 -","4","0.5","","Hart, Richard; Levason, William; Patel, Bhavesh; Reid, Gillian","Synthesis, properties and crystal structures of 6-, 7- and 8-coordinate Zr(iv) and Hf(iv) complexes involving thioether and selenoether ligands","Journal of the Chemical Society, Dalton Transactions","2002","","16","3153","","10.1039/b201080c","","","0.71073","MoKα","","0.0409","0.041","","0.053","","0.053","","","1.442","","","1.44","","","","has coordinates","244018","2020-10-21","18:00:00",""
"7702855","10.733","0.0015","10.733","0.0015","24.88","0.005","90","","90","","90","","2866.1","0.8","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C20 H40 Ga2 I2 N4 -","- C20 H40 Ga2 I2 N4 -","- C80 H160 Ga8 I8 N16 -","4","0.5","","Baker, Robert J.; Farley, Robert D.; Jones, Cameron; Kloth, Marc; Murphy, Damien M.","The reactivity of diazabutadienes toward low oxidation state Group 13 iodides and the synthesis of a new gallium(i) carbene analogue","Journal of the Chemical Society, Dalton Transactions","2002","","20","3844","","10.1039/b206605j","","","0.71073","MoKα","","0.0258","0.0239","","","0.0517","0.0524","","","","","","1.07","","","","has coordinates","244051","2020-10-21","18:00:00",""
"7702860","17.715","0.004","17.715","0.004","29.3028","0.0004","90","","90","","90","","9196","3","193","2","193","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C39 H48 Gd2 N11 O13.5 -","- C39 H45 Gd2 N11 O13.5 -","- C312 H360 Gd16 N88 O108 -","8","1","","Avecilla, Fernando; Platas-Iglesias, Carlos; Rodríguez-Cortiñas, Raquel; Guillemot, Geoffroy; Bünzli, Jean-Claude G.; Brondino, Carlos D.; Geraldes, Carlos F. G. C.; Blas, Andrés de; Rodríguez-Blas, Teresa","Structural characterisation, EPR and magnetic properties of f‒f and f‒d lanthanide(iii) phenolic cryptates","Journal of the Chemical Society, Dalton Transactions","2002","","24","4658","","10.1039/b206615g","","","0.71073","MoKα","","0.1103","0.0654","","","0.149","0.1706","","","","","","1.065","","","","has coordinates,has disorder","244052","2020-10-21","18:00:00",""
"7703821","11.05922","0.00016","11.05922","0.00016","30.7432","0.0007","90","","90","","90","","3760.09","0.12","180","0.1","180","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","trans-[FeCl2{(R,R)-Me-DuPhos}2]","","","- C36 H56 Cl2 Fe P4 -","- C36 H56 Cl2 Fe P4 -","- C144 H224 Cl8 Fe4 P16 -","4","0.5","","Estevan, Francisco; Feliz, Marta","Configurational landscape of chiral iron(ii) bis(phosphane) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4528","4538","10.1039/c9dt04821a","","","0.71073","MoKα","","0.0323","0.0266","","","0.0576","0.0604","","","","","","1.083","","","","has coordinates","251638","2020-10-21","18:00:00",""
"7703950","13.3331","0.0001","13.3331","0.0001","37.0015","0.0005","90","","90","","90","","6577.81","0.11","123.05","0.1","123.05","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C65.6 H99.2 Na4 O8.4 -","- C65.6 H99.2 Na4 O8.4 -","- C262.4 H396.8 Na16 O33.6 -","4","0.5","","Yeardley, Callum; Kennedy, Alan R.; Gros, Philippe C.; Touchet, Sabrina; Fairley, Michael; McLellan, Ross; Martínez-Martínez, Antonio J; O'Hara, Charles T","Structural and metal-halogen exchange reactivity studies of sodium magnesiate biphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5257","5263","10.1039/d0dt00904k","","x-ray","1.54184","CuKα","","0.047","0.0453","","","0.1348","0.1365","","","","","","1.069","","","","has coordinates,has disorder","251615","2020-10-21","18:00:00",""
"7704935","18.495","0.005","18.495","0.005","17.89","0.006","90","","90","","90","","6120","3","193","2","193","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H32 Mn N3 O6 -","- C28 H32 Mn N3 O6 -","- C224 H256 Mn8 N24 O48 -","8","1","","Srinivasan, Anandi; Campos, Jesús; Giraud, Nicolas; Robert, Marc; Rivada-Wheelaghan, Orestes","Mn<sup>I</sup> complex redox potential tunability by remote lewis acid interaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16623","16626","10.1039/d0dt02467h","","","0.71073","MoKα","","0.1152","0.0709","","","0.1593","0.1881","","","","","","1.042","","","","has coordinates","260747","2021-01-07","06:17:30",""
"7705687","23.2275","0.0008","23.2275","0.0008","44.2459","0.0018","90","","90","","90","","23871.4","1.5","100","2","100.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C116 H151 Gd Mn2 N7 O16 -","- C116 H149 Gd Mn2 N7 O16 -","- C928 H1192 Gd8 Mn16 N56 O128 -","8","1","","Coletta, Marco; Sanz, Sergio; Cutler, Daniel J.; Teat, Simon J.; Gagnon, Kevin J.; Singh, Mukesh K.; Brechin, Euan K.; Dalgarno, Scott J.","Magneto-structural studies of an unusual [Mn<sup>III</sup>Mn<sup>II</sup>Gd<sup>III</sup>(OR)<sub>4</sub>]<sup>4-</sup> partial cubane from 2,2'-bis-<i>p</i>-<sup> <i>t</i> </sup>Bu-calix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14790","14797","10.1039/d0dt02731f","","","0.7749","Synchrotron","","0.0844","0.0653","","","0.151","0.1718","","","","","","1.033","","","","has coordinates,has disorder","258814","2020-11-06","12:06:44",""
"7705865","10.7947","0.0001","10.7947","0.0001","49.2881","0.0007","90","","90","","90","","5743.32","0.11","103","","103","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C31 H24.5 Br2 Mn N2.5 O4 -","- C31 H24.5 Br2 Mn N2.5 O4 -","- C248 H196 Br16 Mn8 N20 O32 -","8","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.067","0.0472","","","0.0794","0.0845","","","","","","1.087","","","","has coordinates","259691","2020-12-09","03:12:12",""
"7706258","13.1248","0.0002","13.1248","0.0002","14.3338","0.0002","90","","90","","90","","2469.15","0.06","100","0.1","100","0.1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C26 H24 Cl2 Co Fe N6 O0.09 -","- C26 H24 Cl2 Co Fe N6 O0.092 -","- C104 H96 Cl8 Co4 Fe4 N24 O0.368 -","4","0.5","","Tupolova, Yulia P.; Shcherbakov, Igor N.; Popov, Leonid D.; Morgunov, Roman B.; Korchagin, Denis V.; Lebedev, Vladimir E.; Palii, Andrew V.; Aldoshin, Sergey M.","Field-induced SIM behaviour of a Co(II) complex with a 1,1'-diacetylferrocene-derived ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15592","15596","10.1039/d0dt02747b","","","0.7107","MoKα","","0.0298","0.0258","","","0.0598","0.0624","","","","","","1.061","","","","has coordinates","260511","2021-01-05","07:23:45",""
"7707481","15.1442","0.0016","15.1442","0.0016","43.794","0.005","90","","90","","90","","10044","1.9","150","2","150","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C102 H130 Ga2 N6 Na2 O12 -","- C102 H130 Ga2 N6 Na2 O12 -","- C408 H520 Ga8 N24 Na8 O48 -","4","0.5","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.1046","0.0617","","","0.138","0.1515","","","","","","1.029","","","","has coordinates,has disorder","267183","2021-07-05","17:40:37",""
"7707720","14.9951","0.0001","14.9951","0.0001","26.1521","0.0004","90","","90","","90","","5880.38","0.11","150","0.1","150","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C60 H50.5 Cl3.5 P4 Rh2 -","- C60 H50.5 Cl3.5 P4 Rh2 -","- C240 H202 Cl14 P16 Rh8 -","4","0.5","","Barnett, Harrison J.; Hill, Anthony F.","Benzyne addition to a metal-carbon multiple bond.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9383","9387","10.1039/d1dt01402a","","x-ray","1.54184","CuKα","","0.0353","0.034","","","0.0986","0.0999","","","","","","1.101","","","","has coordinates,has disorder","268731","2021-09-06","11:02:50",""
"7707721","15.01727","0.00005","15.01727","0.00005","26.39108","0.00012","90","","90","","90","","5951.67","0.04","150","0.1","150","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C70 H51 Cl3 P4 Rh2 -","- C70 H51 Cl3 P4 Rh2 -","- C280 H204 Cl12 P16 Rh8 -","4","0.5","","Barnett, Harrison J.; Hill, Anthony F.","Benzyne addition to a metal-carbon multiple bond.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9383","9387","10.1039/d1dt01402a","","x-ray","1.54184","CuKα","","0.0311","0.03","","","0.0802","0.0818","","","","","","1.067","","","","has coordinates,has disorder","268731","2021-09-06","11:02:50",""
"7708386","23.0481","0.0003","23.0481","0.0003","47.9933","0.0008","90","","90","","90","","25494.8","0.6","297.54","","297.54","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C65 H39 Ce3 N4.5 O29 P4.5 -","- C65 H39 Ce3 N4.5 O29 P4.5 -","- C520 H312 Ce24 N36 O232 P36 -","8","1","","Wang, Meng; Gao, Hong-Wei; Li, Jin Xiao; Bai, Fengying; Xing, Yongheng; Shi, Zhan","Multifunctional luminescence sensing and white light adjustment of lanthanide metal-organic frameworks constructed from the flexible cyclotriphosphazene-derived hexacarboxylic acid ligand","Dalton Transactions","2021","","","","","10.1039/D1DT02560K","","","0.71073","MoKα","","0.0675","0.043","","","0.102","0.1135","","","","","","1.026","","","","has coordinates","269232","2021-09-21","22:57:39",""
"7708387","23.1017","0.0014","23.1017","0.0014","47.068","0.004","90","","90","","90","","25120","3","297.54","","297.54","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C65 H39 Eu3 N4.5 O29 P4.5 -","- C65 H39 Eu3 N4.5 O29 P4.5 -","- C520 H312 Eu24 N36 O232 P36 -","8","1","","Wang, Meng; Gao, Hong-Wei; Li, Jin Xiao; Bai, Fengying; Xing, Yongheng; Shi, Zhan","Multifunctional luminescence sensing and white light adjustment of lanthanide metal-organic frameworks constructed from the flexible cyclotriphosphazene-derived hexacarboxylic acid ligand","Dalton Transactions","2021","","","","","10.1039/D1DT02560K","","","0.71073","MoKα","","0.0716","0.0474","","","0.1183","0.1317","","","","","","1.014","","","","has coordinates","269232","2021-09-21","22:57:41",""
"7708388","23.0966","0.0008","23.0966","0.0008","47.2483","0.0016","90","","90","","90","","25204.7","1.5","297.54","","297.54","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C65 H39 N4.5 O29 P4.5 Sm3 -","- C65 H39 N4.5 O29 P4.5 Sm3 -","- C520 H312 N36 O232 P36 Sm24 -","8","1","","Wang, Meng; Gao, Hong-Wei; Li, Jin Xiao; Bai, Fengying; Xing, Yongheng; Shi, Zhan","Multifunctional luminescence sensing and white light adjustment of lanthanide metal-organic frameworks constructed from the flexible cyclotriphosphazene-derived hexacarboxylic acid ligand","Dalton Transactions","2021","","","","","10.1039/D1DT02560K","","","0.71073","MoKα","","0.0707","0.0464","","","0.1158","0.1285","","","","","","1.022","","","","has coordinates","269232","2021-09-21","22:57:41",""
"7709872","11.7707","0.0001","11.7707","0.0001","38.8441","0.0004","90","","90","","90","","5381.83","0.09","99.9","0.5","99.9","0.5","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C54 H46 B2 F20 Fe N6 -","- C54 H46 B2 F20 Fe N6 -","- C216 H184 B8 F80 Fe4 N24 -","4","0.5","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.0349","0.034","","","0.0907","0.0919","","","","","","1.045","","","","has coordinates","274146","2022-03-30","23:12:28",""
"7710305","17.6859","0.0012","17.6859","0.0012","12.3676","0.0013","90","","90","","90","","3868.5","0.6","350","2","350.01","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C38 H26 Br2 Fe N6 S2 -","- C38 H26 Br2 Fe N6 S2 -","- C152 H104 Br8 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.1539","0.0688","","","0.1001","0.119","","","","","","1.103","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710306","17.725","0.003","17.725","0.003","12.578","0.002","90","","90","","90","","3951.7","1.1","420","2","420.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C80 H64 Fe2 N12 S4 -","- C80 H64 Fe2 N12 S4 -","- C160 H128 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.1867","0.0463","","","0.0905","0.1159","","","","","","0.935","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710307","17.3815","0.0007","17.3815","0.0007","12.1164","0.0005","90","","90","","90","","3660.6","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C80 H64 Fe2 N12 S4 -","- C80 H64 Fe2 N12 S4 -","- C160 H128 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0697","0.0434","","","0.0685","0.073","","","","","","1.049","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710308","17.5254","0.0007","17.5254","0.0007","12.2143","0.0006","90","","90","","90","","3751.5","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C80 H64 Fe2 N12 S4 -","- C80 H64 Fe2 N12 S4 -","- C160 H128 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.124","0.0502","","","0.0767","0.0903","","","","","","0.983","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710310","17.6961","0.0005","17.6961","0.0005","12.5406","0.0005","90","","90","","90","","3927.1","0.2","400","2","400","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C40 H32 Fe N6 S2 -","- C40 H32 Fe N6 S2 -","- C160 H128 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.1171","0.0491","","","0.0983","0.116","","","","","","1.011","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710311","17.7629","0.0019","17.7629","0.0019","12.4907","0.0014","90","","90","","90","","3941.1","0.7","400","2","400","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C38 H26 Br2 Fe N6 S2 -","- C38 H26 Br2 Fe N6 S2 -","- C152 H104 Br8 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.1728","0.0759","","","0.106","0.1269","","","","","","1.111","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710313","17.7428","0.0006","17.7428","0.0006","12.21","0.0004","90","","90","","90","","3843.8","0.2","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C40 H32 Fe N6 S2 -","- C40 H32 Fe N6 S2 -","- C160 H128 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","x-ray","0.71073","MoKα","","0.0597","0.0386","","","0.0768","0.0848","","","","","","1.015","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710315","17.834","0.004","17.834","0.004","12.571","0.003","90","","90","","90","","3998.2","1.6","450","2","450.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C38 H26 Br2 Fe N6 S2 -","- C38 H26 Br2 Fe N6 S2 -","- C152 H104 Br8 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.1943","0.0892","","","0.1176","0.1414","","","","","","1.103","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710316","17.6315","0.0003","17.6315","0.0003","12.1717","0.0003","90","","90","","90","","3783.81","0.13","250","2","250.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C80 H64 Fe2 N12 S4 -","- C80 H64 Fe2 N12 S4 -","- C160 H128 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0883","0.0461","","","0.0824","0.0922","","","","","","1.02","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710318","17.6816","0.0011","17.6816","0.0011","12.1451","0.0011","90","","90","","90","","3797","0.5","250","2","250.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C76 H52 Br4 Fe2 N12 S4 -","- C76 H52 Br4 Fe2 N12 S4 -","- C152 H104 Br8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.06","0.0453","","","0.0715","0.0755","","","","","","1.047","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710319","17.739","0.0004","17.739","0.0004","12.1851","0.0004","90","","90","","90","","3834.31","0.18","299","2","298.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C76 H52 Br4 Fe2 N12 S4 -","- C76 H52 Br4 Fe2 N12 S4 -","- C152 H104 Br8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0596","0.045","","","0.0777","0.0821","","","","","","1.017","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710322","17.616","0.0017","17.616","0.0017","12.106","0.002","90","","90","","90","","3756.8","0.8","148","2","148.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C38 H26 Br2 Fe N6 S2 -","- C38 H26 Br2 Fe N6 S2 -","- C152 H104 Br8 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0339","0.0309","","","0.0892","0.0911","","","","","","1.055","","","","has coordinates","276618","2022-07-06","08:10:00",""
"7710324","17.77","0.0008","17.77","0.0008","12.181","0.0005","90","","90","","90","","3846.4","0.3","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C38 H26 Br2 Fe N6 S2 -","- C38 H26 Br2 Fe N6 S2 -","- C152 H104 Br8 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","x-ray","0.71073","MoKα","","0.0823","0.043","","","0.0736","0.085","","","","","","1.009","","","","has coordinates","276618","2022-07-06","08:10:00",""
"7710325","17.5623","0.0008","17.5623","0.0008","12.1023","0.0008","90","","90","","90","","3732.8","0.3","150","2","150.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C80 H64 Fe2 N12 S4 -","- C80 H64 Fe2 N12 S4 -","- C160 H128 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0288","0.0264","","","0.0651","0.0667","","","","","","1.067","","","","has coordinates","276618","2022-07-06","08:10:00",""
"7710551","9.5542","0.0002","9.5542","0.0002","46.3014","0.0012","90","","90","","90","","4226.52","0.17","100","","100","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H56 Br2 Co2 N4 P4 -","- C36 H56 Br2 Co2 N4 P4 -","- C144 H224 Br8 Co8 N16 P16 -","4","0.5","","Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.","Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts","Dalton Transactions","2022","","","","","10.1039/D2DT01484J","","x-ray","0.71073","MoKα","","0.0267","0.0236","","","0.0557","0.0563","","","","","","1.073","","","","has coordinates","276207","2022-06-23","23:09:12",""
"7710746","17.8671","0.0006","17.8671","0.0006","53.805","0.002","90","","90","","90","","17176.3","1","120","2","120","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C155 H242 Br4 N2 Ni2 O56 P2 -","- C155 H242 Br4 N2 Ni2 O56 P2 -","- C620 H968 Br16 N8 Ni8 O224 P8 -","4","0.5","","Li, Yang; Pelzer, Katrin; Sechet, Damien; Creste, Geordie; Matt, Dominique; Braunstein, Pierre; Armspach, Dominique","A cavity-shaped <i>cis</i>-chelating P,N ligand for highly selective nickel-catalysed ethylene dimerisation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01553f","","","0.71073","MoKα","","0.0741","0.0515","","","0.1343","0.1474","","","","","","1.04","","","","has coordinates,has disorder","276837","2022-07-23","00:13:03",""
"7711551","14.4146","0.0001","14.4146","0.0001","71.4632","0.0004","90","","90","","90","","14848.7","0.17","100","0.1","100","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C107 H168 Dy6 N14 O67 -","- C98 H118 Dy6 N14 O51 -","- C392 H472 Dy24 N56 O204 -","4","0.5","","Long, Bing-Fan; Li, Yun-Lan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Assembly of pinwheel/twist shaped chiral lanthanide clusters with rotor structures by annular/linear growth mechanism and their magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02653H","","","1.54184","CuKα","","0.0491","0.0411","","","0.1077","0.1122","","","","","","1.06","","","","has coordinates,has disorder","278759","2022-10-24","23:14:34",""
"7712937","9.7712","0.0005","9.7712","","22.4446","0.0013","90","","90","","90","","2142.93","0.17","150","2","150","2","","","","","","","synthesis as described","5","P 41 21 2","P 4abw 2nw","92","","","","- C20 H30 Fe O4 S2 -","- C20 H30 Fe O4 S2 -","- C80 H120 Fe4 O16 S8 -","4","0.5","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.0445","0.0356","","","0.0721","0.0764","","","","","","1.017","","","","has coordinates","282981","2023-05-04","05:27:36",""
"7713620","13.0873","0.0004","13.0873","0.0004","36.3217","0.0013","90","","90","","90","","6221.1","0.3","150","2","150","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C69 H54 Cl4 Cr In Mn N8 O5 -","- C69 H54 Cl4 Cr In Mn N8 O5 -","- C276 H216 Cl16 Cr4 In4 Mn4 N32 O20 -","4","0.5","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Yakushev, Ilya A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Bimetallic neutral and anionic complexes of transition metal (Co, Mn) carbonyls with indium (III) phthalocyanine","Dalton Transactions","2023","","","","","10.1039/D3DT01498C","","","0.71073","MoKα","","0.0383","0.0334","","","0.0845","0.0864","","","","","","1.072","","","","has coordinates","285413","2023-08-01","23:00:14",""
"7715110","31.093","0.002","31.093","0.002","44.345","0.003","90","","90","","90","","42872","5","298","2","298","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C217 H242 Cl74 Eu4 F36 N60 O48 S12 -","- C172 H168 Eu4 F12 N60 O24 S4 -","- C688 H672 Eu16 F48 N240 O96 S16 -","4","0.5","","Guo, Xiao-Qing; Zhou, Li-Peng; Hu, Shao-Jun; Sun, Qing-Fu","Subtle adjustments for constructing multi-nuclear luminescent lanthanide organic polyhedra with triazole-based chelates","Dalton Transactions","2024","53","10","4772","4780","10.1039/D3DT03791F","","","0.71073","MoKα","","0.128","0.0797","","","0.222","0.2694","","","","","","0.999","","","","has coordinates","290920","2024-04-04","23:19:57",""
"7715831","8.9056","0.0013","8.9056","0.0013","33.485","0.007","90","","90","","90","","2655.7","0.8","113.15","","113.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Gd","","- C25 H21 Gd N6 O10 -","- C25 H21 Gd N6 O10 -","- C100 H84 Gd4 N24 O40 -","4","0.5","","Chen, Kun-Peng; Ma, Yue; Ren, Hong-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","Synthesis and proton-conductive behaviour of two MOFs with covalently bonded imidazoles in the channels.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8716","8721","10.1039/d3dt04338j","","","0.71073","MoKα","","0.0435","0.041","","","0.115","0.1172","","","","","","1.138","","","","has coordinates,has disorder","293085","2024-07-05","16:34:08",""
"7716425","8.7735","0.0002","8.7735","0.0002","27.538","0.0007","90","","90","","90","","2119.72","0.09","213","2","213","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C22 H29 Br N4 Pd -","- C22 H29 Br N4 Pd -","- C88 H116 Br4 N16 Pd4 -","4","0.5","","Li, Haobin; Zhang, Bo; Feng, Rui; Guo, Shuai","An N-heterocyclic carbene-based pincer system of palladium and its versatile reactivity under oxidizing conditions.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11470","11480","10.1039/d4dt00980k","","","0.71073","MoKα","","0.0167","0.0159","","","0.0386","0.0388","","","","","","1.146","","","","has coordinates","293845","2024-08-05","18:58:43",""
"8000516","17.2083","0.0015","17.2083","0.0015","37.945","0.003","90","","90","","90","","11236.5","1.6","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C56 H43 Eu F9 N3 O8 S3 -","- C56 H43 Eu F9 N3 O8 S3 -","- C448 H344 Eu8 F72 N24 O64 S24 -","8","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.1103","0.0573","","","0.1258","0.1458","","","","","","0.925","","","","has coordinates,has disorder","267655","2021-07-21","00:00:44",""
"8100036","8.6447","0.0004","8.6447","0.0004","25.787","0.002","90","","90","","90","","1927.1","0.2","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C12 B9 La10 -","- C12 B9 La10 -","- C48 B36 La40 -","4","0.5","","Babizhetskyy, Volodymyr; Mattausch, Hansjürgen; Simon, Arndt","Crystal structure of lanthanum borocarbide, La~10~B~9~C~12~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","11","12","","","","","","","","","","","","","","","","1.1","1.1","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100270","10.09","0.002","10.09","0.002","45.966","0.009","90","","90","","90","","4679.7","1.6","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","N-Acyl-(tert-butyloxycarbonyl-alanyl)dicyclohexylurea","","","- C21 H37 N3 O4 -","- C21 H37 N3 O4 -","- C168 H296 N24 O32 -","8","1","","Vijay, Kumar Goel; Sharmistha, Dey; Arun, P. Baxla; Singh, T.P.","Crystal structure of N-acyl-(tert-butyloxycarbonyl-alanyl)dicyclohexylurea, C~21~H~37~N~3~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","57","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100496","9.0169","0.0003","9.0169","0.0003","14.1195","0.0006","90","","90","","90","","1148","0.1","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","rubidium cuprate(I) argentate(I)","","","- Ag0.5 Cu0.5 O2 Rb3 -","- Ag0.499 Cu0.501 O2 Rb3 -","- Ag3.992 Cu4.008 O16 Rb24 -","8","1","","Sofin, Mikhail; Peters, Eva-Maria; Jansen, Martin","Crystal structure of rubidium copper silver oxide, Rb~3~Cu~0.5~Ag~0.5~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","379","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100996","12.111","0.002","12.111","0.002","42.151","0.008","90","","90","","90","","6182.2","1.7","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C31.25 H39 N2 O8.25 S -","- C31.25 H39 N2 O8.25 S -","- C250 H312 N16 O66 S8 -","8","1","","Bavoux, C.; Perrin, M.; Ousmer, M.; Braun, N. A.; Ciufolini, M.","Crystal structure of (1S,3S,6S,7S,8S,9S)-7,9-diacetoxy-6-(4-methoxybenzyl)- 3-[N-methyl-N-(4-methylphenyl)sulfonylamino]-5-azatricyclo[6.3.1.0^1,5^] dodecan-4-one—methanol (1/0.25), C~31~H~38~N~2~O~8~S · ¼ (CH~3~OH)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","361","362","","","","","","","","0.0748","","","0.1361","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101127","9.578","0.001","9.578","0.001","33.228","0.007","90","","90","","90","","3048.3","0.8","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C15 H25 Cl Pd -","- C15 H25 Cl Pd -","- C120 H200 Cl8 Pd8 -","8","1","","Spannenberg, Anke; Ait Allal, Badia; El Firdoussi, Larbi; Karim, Abdallah; Beller, Matthias","Crystal structure of bis(π-allyldihydro-valencene)dichlorodipalladium, C~15~H~25~ClPd","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","659","660","","","","","","","","0.0514","","","0.1038","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8102652","14.96343","0.00017","14.96343","0.00017","44.927","0.0008","90","","90","","90","","10059.3","0.2","200","2","200","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","1,1'-Bis(((1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyl) cyclopentadienyl)-1-trimethylphosphine-2,3-bis(trimethylsilyl)-1- hafnacycloprop-2-ene hexane solvate (1:0.5), C~41~H~73~HfPSi~2~ 0.5 C~6~H~14~","","- C44 H80 Hf P Si2 -","- C44 H80 Hf P Si2 -","- C352 H640 Hf8 P8 Si16 -","8","1","","Marcus Klahn; Anke Spannenberg; Uwe Rosenthal","Crystal structure of 1-bis(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)cyclopentadienyl)-1-trimethylphosphine-2,3-bis(trimethylsilyl)-1-hafnacycloprop-2-ene — hexane (1:0.5), (HfC8H18Si2)(C15H22)2(PC3H9) · 0.5C6H14","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","262","","","","","0.71073","MoKα","","0.0321","0.0262","","","0.0724","0.0733","","","","","","1.002","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103866","8.4785","","8.4785","","25.35","","90","","90","","90","","1822.28","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Ce10 B9 C12","","- C12 B9 Ce10 -","- C12 B9 Ce10 -","- C48 B36 Ce40 -","4","0.5","","Gougeon, P.; Ansel, D.; Halet, J.F.; Bauer, J.","Crystal structure of decacerium nonaboride dodecaboride, Ce10 B9 C12","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","825","825","","","","","","","","","","","","","","","","","","","","","","has coordinates","161614","2020-10-21","18:00:00",""
"8104228","4.796","","4.796","","7.626","","90","","90","","90","","175.41","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Te O2","","- O2 Te -","- O2 Te -","- O8 Te4 -","4","0.5","","Leciejewicz, J.","The crystal structure of tellurium dioxide. A redetermination by neutron diffraction","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1961","116","","345","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104247","6.855","","6.855","","12.471","","90","","90","","90","","586.025","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Tb2 Ge2 O7","","- Ge2 O7 Tb2 -","- Ge2 O7 Tb2 -","- Ge8 O28 Tb8 -","4","0.5","","Geller, S.; Gaines, J.M.","The crystal structure of terbium pyrogermanate, Tb2Ge2O7","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","243","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","166484","2020-10-21","18:00:00",""
"8104322","7.464","","7.464","","8.62","","90","","90","","90","","480.231","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Si O2","","- O2 Si -","- O2 Si -","- O24 Si12 -","12","1.5","","Shropshire, J.; Keat, P.P.; Vaughan, P.A.","The crystal structure of keatite, a new form of silica","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1959","112","","409","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104571","10.4368","0.0001","10.4368","0.0001","61.5166","0.0011","90","","90","","90","","6700.81","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C37 H56 N O4.5 -","- C37 H56 N O4.5 -","- C296 H448 N8 O36 -","8","1","","Luo, Qin; Meng, Qing-Guo; Hou, Gui-Ge; Jiang, Sheng; Jin, Yong-Sheng; Gao, Yue","Crystal structure of (8R,10R,14R,Z)-12-hydroxy-2-((6-methoxypyridin-2-yl)methylene)-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one–water (2/1), C37H56NO4.5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1223","1226","10.1515/ncrs-2021-0284","","x-ray","1.54178","CuKα","","0.076","0.0557","","","0.1256","0.135","","","","","","1.121","","","","has coordinates,has disorder","273055","2022-02-21","09:59:36",""
"8106152","10.989","0.004","10.989","0.005","18.47","0.002","90","","90","","90","","2230.4","1.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H22 N2 Ni O4 -","- C28 H22 N2 Ni O4 -","- C112 H88 N8 Ni4 O16 -","4","0.5","","Xu, Qiang; Zhao, Yan Ling; Luo, Xiao Fang; Zhou, Ming Wei; Li, Guo qiang","Crystal structure of 2,2′-((((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(azanylylidene))bis(methanylylidene))diphenolato-κ2 N;κ4 O)nickel(II), C28H22N2O4Ni","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","359","360","10.1515/ncrs-2017-0222","","","0.71073","MoKα","","0.1313","0.0571","","","0.1123","0.1382","","","","","","0.963","","","","has coordinates","279386","2022-11-18","09:21:00",""
"8106899","10.986","0.005","10.986","0.005","18.187","0.008","90","","90","","90","","2195","1.7","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H22 N2 O4 Zn -","- C28 H22 N2 O4 Zn -","- C112 H88 N8 O16 Zn4 -","4","0.5","","Xu, Qiang; Li, Guo Qiang; Meng, Jiang Ping; He, Jia Hong","Crystal structure of [2,2′-((((ethane-1,2-diylbis(oxy-κ2 O,O′))bis(2,1-phenylene))bis(azanylylidene-κ2 N,N′))bis(methanylylidene))diphenolato-κ2 O′′,O′′′]zinc(II), C28H22N2O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","435","436","10.1515/ncrs-2015-0112","","","0.71073","MoKα","","0.0668","0.044","","","0.0872","0.0942","","","","","","1.071","","","","has coordinates","281772","2023-03-09","10:22:06",""
"8106976","11.86217","0.00015","11.86217","0.00015","13.9664","0.0003","90","","90","","90","","1965.23","0.05","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C23 H14 I2 N2 -","- C23 H14 I2 N2 -","- C92 H56 I8 N8 -","4","0.5","","Yin, Guo-jie","Crystal structure of 5,5-bis(4-iodophenyl)-5H-cyclopenta[2,1-b:3,4-b′]dipyridine, C23H14I2N2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","685","686","10.1515/ncrs-2015-0225","","","1.54184","CuKα","","0.0405","0.0387","","","0.1015","0.1035","","","","","","1.045","","","","has coordinates","282038","2023-03-24","09:30:06",""
"8107377","13.7308","0.0006","13.7308","0.0006","15.1806","0.0007","90","","90","","90","","2862.1","0.2","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H26 Cd N4 O4 -","- C32 H26 Cd N4 O4 -","- C128 H104 Cd4 N16 O16 -","4","0.5","","Kukovec, Boris-Marko; Sokol, Vesna; Popović, Zora","The crystal structure of trans-[bis(4-methylpyridine-κN)bis(quinoline-2-carboxylato- κ 2 N,O)cadmium(II)], C32H26CdN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","145","147","10.1515/ncrs-2022-0515","","","0.71073","MoKα","","0.0674","0.0359","","","0.0639","0.0693","","","","","","0.916","","","","has coordinates,has disorder","284482","2023-06-15","09:03:35",""
"9000297","6.8724","","6.8724","","21.821","","90","","90","","90","","1030.6","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","Maucherite","- As8 Ni11 -","- As8 Ni11 -","- As32 Ni44 -","4","0.5","","Fleet, M. E.","The crystal structure of maucherite (Ni11As8)","American Mineralogist","1973","58","","203","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9001578","4.9717","","4.9717","","6.9223","","90","","90","","90","","171.104","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Downs, R. T.; Palmer, D. C.","The pressure behavior of alpha cristobalite P = room pressure","American Mineralogist","1994","79","","9","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001579","4.9501","","4.9501","","6.876","","90","","90","","90","","168.486","","","","","","","","190000","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Downs, R. T.; Palmer, D. C.","The pressure behavior of alpha cristobalite P = 0.19 GPa","American Mineralogist","1994","79","","9","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001580","4.9028","","4.9028","","6.7782","","90","","90","","90","","162.931","","","","","","","","730000","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Downs, R. T.; Palmer, D. C.","The pressure behavior of alpha cristobalite P = 0.73 GPa","American Mineralogist","1994","79","","9","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001581","4.8757","","4.8757","","6.7163","","90","","90","","90","","159.663","","","","","","","","1050000","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Downs, R. T.; Palmer, D. C.","The pressure behavior of alpha cristobalite P = 1.05 GPa","American Mineralogist","1994","79","","9","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9005138","7.434","","7.434","","21.793","","90","","90","","90","","1204.38","","","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","Kamphaugite-(Y)","- C2 H3 Ca O8 Y -","- C2 H3 Ca O8 Y -","- C16 H24 Ca8 O64 Y8 -","8","1","","Romming, C.; Kocharian, A. K.; Raade, G.","The crystal structure of kamphaugite-(Y)","European Journal of Mineralogy","1993","5","","685","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005300","9.79","","9.79","","9.097","","90","","90","","90","","871.894","","","","418.15","","","","","","","","Synthetic","5","P 41 21 2","P 4abw 2nw","92","","","Garronite","- Al0.708 Ca0.354 H1.776 O4.888 Si1.292 -","- Al0.708 Ca0.354 H1.776 O4.888 Si1.292 -","- Al5.664 Ca2.832 H14.208 O39.104 Si10.336 -","8","1","","Schropfer, L.; Joswig, W.","Structure analyses of a partially dehydrated synthetic Ca-garronite single crystal under different T, pH2O conditions Sample: GAR145/27, T = 145 C, 27 mbar pH2O","European Journal of Mineralogy","1997","9","","53","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9006287","4.9329","","4.9329","","6.4645","","90","","90","","90","","157.304","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 4","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9008110","4.978","","4.978","","6.948","","90","","90","","90","","172.175","","","","","","","","","","","","Ellora, Hyderabad, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dollase, W. A.","Reinvestigation of the structure of low cristobalite","Zeitschrift fur Kristallographie","1965","121","","369","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008224","4.979","","4.979","","6.95","","90","","90","","90","","172.294","","","","301.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 28 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008225","4.982","","4.982","","6.963","","90","","90","","90","","172.824","","","","338.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 65 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008226","4.986","","4.986","","6.977","","90","","90","","90","","173.45","","","","376.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 103 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008227","4.989","","4.989","","6.991","","90","","90","","90","","174.007","","","","415.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 142 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008228","4.993","","4.993","","7.005","","90","","90","","90","","174.635","","","","452.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 179 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008229","4.996","","4.996","","7.016","","90","","90","","90","","175.119","","","","483.15","","","","","","","","Ellora Caves, Hyderabad State, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Peacor, D. R.","High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 210 C","Zeitschrift fur Kristallographie","1973","138","","274","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009088","4.805","","4.805","","7.609","","90","","90","","90","","175.677","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","Paratellurite","- O2 Te -","- O2 Te -","- O8 Te4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009241","4.335","","4.335","","6.102","","90","","90","","90","","114.67","","","","","","","","15000000","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- C O2 -","- C O2 -","- C4 O8 -","4","0.5","","Park, J. H.; Yoo, C. S.; Iota, V.; Cynn, H.; Nicol, M. F.; Le Bihan, T.","Crystal structure of bent carbon dioxide phase IV Sample: P = 15 GPa, the authors do not think this is the correct structure","Physical Review B","2003","68","","014107","014107","10.1103/PhysRevB.68.014107","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009442","7.03","","7.03","","19.04","","90","","90","","90","","940.974","","","","","","","","","","","","Fairfield, Utah, USA","5","P 41 21 2","P 4abw 2nw","92","","","Wardite","- Al3 H8 Na O14 P2 -","- Al3 H8 Na O14 P2 -","- Al12 H32 Na4 O56 P8 -","4","0.5","","Fanfani, L.; Nunzi, A.; Zanazzi, P. F.","The crystal structure of wardite","Mineralogical Magazine","1970","37","","598","605","10.1180/minmag.1970.037.289.10","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:26",""
"9009685","4.957","","4.957","","6.8903","","90","","90","","90","","169.307","","","","10","","","","","","","","Synthetic","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Pluth, J. J.; Smith, J. V.; Faber, J.","Crystal structure of low cristobalite at 10, 293, and 473 K: Variation of framework geometry with temperature Sample: T = 10 K","Journal of Applied Physics","1985","57","","1045","1049","10.1063/1.334545","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009686","4.9709","","4.9709","","6.9278","","90","","90","","90","","171.185","","","","296","","","","","","","","Synthetic","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Pluth, J. J.; Smith, J. V.; Faber, J.","Crystal structure of low cristobalite at 10, 293, and 473 K: Variation of framework geometry with temperature Sample: T = 296 K","Journal of Applied Physics","1985","57","","1045","1049","10.1063/1.334545","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009687","4.9877","","4.9877","","6.9697","","90","","90","","90","","173.386","","","","473","","","","","","","","Synthetic","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Pluth, J. J.; Smith, J. V.; Faber, J.","Crystal structure of low cristobalite at 10, 293, and 473 K: Variation of framework geometry with temperature Sample: T = 473 K","Journal of Applied Physics","1985","57","","1045","1049","10.1063/1.334545","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009803","8.572","","8.572","","4.636","","90","","90","","90","","340.649","","","","583.15","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- As2 O5 -","- As2 O5 -","- As8 O20 -","4","0.5","","Jansen, M.","On a new modification of As2O5 Note: Sample at T = 310 C","Zeitschrift fur Naturforschung B","1979","34","","10","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009825","7.313","","7.313","","19.315","","90","","90","","90","","1032.97","","","","","","","","","","","","Bosa, Sardinia, Italy","5","P 41 21 2","P 4abw 2nw","92","","","Cyrilovite","- Fe3 H8 Na O14 P2 -","- Fe3 H8 Na O14 P2 -","- Fe12 H32 Na4 O56 P8 -","4","0.5","","Cozzupoli, D.; Grubessi, O.; Mottana, A.; Zanazzi, P. F.","Cyrilovite from Italy: structure and crystal chemistry","Mineralogy and Petrology","1987","37","","1","14","10.1007/BF01163154","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011062","6.79","","6.79","","18.305","","90","","90","","90","","843.936","","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","Retgersite (deuterated)","- D12 Ni O10 S -","- D12 Ni O10 S -","- D48 Ni4 O40 S4 -","4","0.5","","O'Connor B H; Dale, D. H.","A neutron diffraction analysis of the crystal structure of tetragonal nickel sulphate hexadeuterate Locality: synthetic","Acta Crystallographica","1966","21","","705","709","10.1107/S0365110X66003748","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011078","6.782","","6.782","","18.274","","90","","90","","90","","840.522","","","","","","","","","","","","Synthetic","4","P 41 21 2","P 4abw 2nw","92","","","Retgersite","- H12 Ni O10 S -","- H12 Ni O10 S -","- H48 Ni4 O40 S4 -","4","0.5","","Rousseau, B.; Maes, S. T.; Lenstra, A. T. H.","Systematic intensity errors and model imperfection as the consequence of spectral truncation","Acta Crystallographica, Section A","2000","56","3","300","307","10.1107/S0108767300002853","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011155","6.59","","6.59","","17.04","","90","","90","","90","","740.015","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- O9 S2 Sb2 -","- O9 S2 Sb2 -","- O36 S8 Sb8 -","4","0.5","","Mercier, R.; Douglade, J.; Theobald, F. R.","Structure cristalline de Sb2O3*2SO3","Acta Crystallographica, Section B","1975","31","","2081","2085","10.1107/S0567740875006899","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011243","6.783","","6.783","","18.288","","90","","90","","90","","841.414","","","","","","","","","","","","Synthetic","4","P 41 21 2","P 4abw 2nw","92","","","Retgersite","- H12 Ni O10 S -","- H12 Ni O10 S -","- H48 Ni4 O40 S4 -","4","0.5","","Stadnicka, K.; Glazer, A. M.; Koralewski, M.","Structure, absolute configuration and optical activity of alpha-nickel sulfate hexahydrate Locality: synthetic Note: y(O3) corrected to match reported bond lengths","Acta Crystallographica, Section B","1987","43","4","319","325","10.1107/S0108768187097787","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011366","6.78","","6.78","","18.285","","90","","90","","90","","840.532","","","","","","","","","","","","Synthetic","4","P 41 21 2","P 4abw 2nw","92","","","Retgersite","- H12 Ni O10 S -","- H12 Ni O10 S -","- H48 Ni4 O40 S4 -","4","0.5","","Angel, R. J.; Finger, L. W.","Polymorphism of nickel sulfate hexahydrate","Acta Crystallographica, Section C","1988","44","","1869","1873","10.1107/S0108270188006717","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011884","6.785","","6.785","","18.288","","90","","90","","90","","841.91","","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","Retgersite","- H12 Ni O10 S -","- H12 Ni O10 S -","- H48 Ni4 O40 S4 -","4","0.5","","Iskhakova, L. D.; Dubrovinskii, L. S.; Charushnikova, I. A.","Crystal structure, theoretical parameters of potential of atomic interaction (PPAI), and thermochemical properties of NiSO4*nH2O (n=7,6)","Soviet Physics Crystallography","1991","36","","360","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:04",""
"9014436","4.632","","4.632","","6.209","","90","","90","","90","","133.217","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 7.3 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014486","4.682","","4.682","","6.311","","90","","90","","90","","138.344","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 5.4 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015087","4.9501","","4.9501","","6.9259","","90","","90","","90","","169.709","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 0.2 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015747","9.044","","9.044","","16.766","","90","","90","","90","","1371.36","","","","","","","","","","","","Synthetic","5","P 41 21 2","P 4abw 2nw","92","","","","- Fe2 H2 O17 P4 Pb3 -","- Fe2 H2 O17 P4 Pb3 -","- Fe8 H8 O68 P16 Pb12 -","4","0.5","","Mills, S. J.; Kolitsch, U.; Miyawaki, R.; Hatert, F.; Poirier, G.; Kampf, A. R.; Matsubara, S.; Tillmanns, E.","Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure with double-strand chains T = 220 C","European Journal of Mineralogy","2010","22","","595","604","10.1127/0935-1221/2010/0022-2048","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015791","4.908","","4.908","","6.784","","90","","90","","90","","163.416","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 0.6 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9016249","4.599","","4.599","","6.13","","90","","90","","90","","129.654","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 9.1 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016403","4.746","","4.746","","6.445","","90","","90","","90","","145.171","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 3.6 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017048","7.077","","7.077","","19.227","","90","","90","","90","","962.964","","","","","","","","","","","","Silver Coin mine, Valmy, Nevada, USA","9","P 41 21 2","P 4abw 2nw","92","","","Fluorowardite","- Al2.97 As0.03 Ca0.13 F1.68 Fe0.03 H6.32 Na0.87 O12.32 P1.97 -","- Al2.97 As0.03 Ca0.13 F1.68 Fe0.03 H6.32 Na0.87 O12.32 P1.97 -","- Al11.88 As0.12 Ca0.52 F6.72 Fe0.12 H25.28 Na3.48 O49.28 P7.88 -","4","0.5","","Kampf, A. R.; Adams, P. M.; Housley, R. M.; Rossman, G. R.","Fluorowardite, NaAl3(PO4)2(OH)2F2*2H2O, the fluorine analog of wardite from the Silver Coin mine, Valmy, Nevada","American Mineralogist","2014","99","","804","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017338","4.9727","","4.9727","","6.9257","","90","","90","","90","","171.257","","","","","","","","","","","","rhyolitic rock, New Mexico, USA","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Lee, S.; Xu, H.","Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite","Acta Crystallographica, Section B","2019","75","","","","10.1107/S2052520619000933","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""