# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T05:53:08+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 43' 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
"1502908","12.266","0.003","12.266","0.003","23.225","0.005","90","","90","","90","","3494.3","1.4","123.1","","","","","","","","","","","8","P 43","P 4cw","78","","","","- C36 H37 Ag Fe N3 O3 P S -","- C36 H36 Ag Fe N3 O3 P S -","- C144 H144 Ag4 Fe4 N12 O12 P4 S4 -","4","1","","Oura, Ichiro; Shimizu, Kenta; Ogata, Kenichi; Fukuzawa, Shin-Ichi","Highly endo-selective and enantioselective 1,3-dipolar cycloaddition of azomethine ylide with alpha-enones catalyzed by a silver(I)/ThioClickFerrophos complex.","Organic letters","2010","12","8","1752","1755","10.1021/ol100336q","","","0.7107","MoKα","","","0.0547","","","","0.1261","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503084","8.2499","0.0009","8.2499","0.0009","42.596","0.01","90","","90","","90","","2899.1","0.8","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C32 H50 N2 O4 -","- C32 H50 N2 O4 -","- C128 H200 N8 O16 -","4","1","","Yang, Yu-Rong; Lai, Zeng-Wei; Shen, Liang; Huang, Jiu-Zhong; Wu, Xing-De; Yin, Jun-Lin; Wei, Kun","Total synthesis of (-)-8-deoxyserratinine via an efficient Helquist annulation and double N-alkylation reaction.","Organic letters","2010","12","15","3430","3433","10.1021/ol1012444","","","0.71073","MoKα","","0.2421","0.0703","","","0.1091","0.1577","","","","","","0.914","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503622","10.964","0.004","10.964","0.004","13.249","0.005","90","","90","","90","","1592.7","1","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C17 H13 Cl O2 S -","- C17 H15 Cl O2 S -","- C68 H60 Cl4 O8 S4 -","4","1","","Ling, Jun-Bing; Su, Yu; Zhu, Hai-Liang; Wang, Guan-Yu; Xu, Peng-Fei","Hydrogen-bond-mediated cascade reaction involving chalcones: facile synthesis of enantioenriched trisubstituted tetrahydrothiophenes.","Organic letters","2012","14","4","1090","1093","10.1021/ol2034959","","","0.71073","MoKα","","0.0442","0.0416","","","0.1217","0.1262","","","","","","0.87","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506114","8.4416","0.0005","8.4416","0.0005","24.5449","0.0014","90","","90","","90","","1749.08","0.18","143","1","143","1","","","","","","","","4","P 43","P 4cw","78","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Chen, Peiling; Chen, Yanping; Carroll, Patrick J.; Sieburth, Scott McN","Novel reaction pathways for 2-pyridone [4+4] photoadducts.","Organic letters","2006","8","15","3367","3370","10.1021/ol061266z","","","0.71069","MoKα","","0.0285","0.0263","","","0.059","0.0602","","","","","","1.017","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506703","10.0518","0.0006","10.0518","0.0006","16.5499","0.0008","90","","90","","90","","1672.18","0.16","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C17 H22 O3 S2 -","- C17 H22 O3 S2 -","- C68 H88 O12 S8 -","4","1","","Wedel, Tobias; Podlech, Joachim","Enolate addition to a 2-alkylidene[1,3]dithiane-derived bissulfoxide. A new a(2)-acceptor.","Organic letters","2005","7","18","4013","4015","10.1021/ol051670i","","","1.54178","CuKα","","0.0522","0.0508","","","0.1361","0.1392","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507891","9.1152","0.0002","9.1152","0.0002","36.0783","0.0011","90","","90","","90","","2997.63","0.13","103","2","103","2","","","","","","","","3","P 43","P 4cw","78","","","","- C21 H13 N -","- C21 H13 N -","- C168 H104 N8 -","8","2","","Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke","Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings.","Organic letters","2012","14","13","3550","3553","10.1021/ol301583y","","","0.71073","MoKα","","0.0648","0.0542","","","0.1276","0.1367","","","","","","1.121","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508797","12.7827","0.0008","12.7827","0.0008","13.7419","0.0018","90","","90","","90","","2245.4","0.4","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C27 H22 Cl N O4 -","- C27 H22 Cl N O4 -","- C108 H88 Cl4 N4 O16 -","4","1","","He, Zhaolin; Liu, Tanglin; Tao, Haiyan; Wang, Chun-Jiang","A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Aromatization.","Organic letters","2012","14","24","6230","6233","10.1021/ol302987h","","","0.71073","MoKα","","0.0458","0.0343","","","0.0834","0.0908","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508904","10.3793","0.0001","10.3793","0.0001","25.352","0.0007","90","","90","","90","","2731.17","0.08","97","2","97","2","","","","","","","","4","P 43","P 4cw","78","","(4R,5S)-3-((S)-3-(5-(benzyloxy)-7-methoxy-2-methyl- 4-oxo-4H-chromen-6-yl)-2-methylpropanoyl)-4-methyl-5- phenyloxazolidin-2-one","","- C32 H31 N O7 -","- C32 H31 N O7 -","- C128 H124 N4 O28 -","4","1","","Kim, U. Bin; Furkert, Daniel P.; Brimble, Margaret A.","Total synthesis of chaetoquadrins a-C.","Organic letters","2013","15","3","658","661","10.1021/ol303482k","","","0.71073","MoKα","","0.025","0.0243","","","0.0618","0.0622","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1513071","14.323","0.002","14.323","0.002","26.922","0.006","90","","90","","90","","5523","1.6","199","2","199","2","","","","","","","","4","P 43","P 4cw","78","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C224 H224 N32 O64 -","16","4","","Ivanova, Bojidarka; Spiteller, Michael","Organic mandelates as promising materials with non-linear optical application","Structural Chemistry","2010","21","","989","","10.1007/s11224-010-9635-5","","","0.71073","MoKα","","0.1563","0.1047","","","0.2312","0.2605","","","","","","1.373","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517867","12.7827","0.0008","12.7827","0.0008","13.7419","0.0018","90","","90","","90","","2245.4","0.4","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C27 H22 Cl N O4 -","- C27 H20 Cl N O4 -","- C108 H80 Cl4 N4 O16 -","4","1","","He, Zhao-Lin; Liu, Tang-Lin; Tao, Haiyan; Wang, Chun-Jiang","Correction to A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Oxidation.","Organic letters","2014","16","20","5506","5507","10.1021/ol5025458","","","0.71073","MoKα","","0.0434","0.032","","","0.074","0.0806","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519023","14.983","0.001","14.983","0.001","15.54","0.001","90","","90","","90","","3488.6","0.4","","","293","","","","","","","","","3","P 43","P 4cw","78","","","","- Ba5 F19 In3 -","- Ba5 F19 In3 -","- Ba40 F152 In24 -","8","2","","de Kozak, A.; Dupont, N.; Gredin, P.; Riou, D.","The crystal structure of Ba5In3F19 : a new structural type in fluoride crystal chemistry","Solid State Sciences","1999","1","","409","419","","","x-ray","0.71073","MoKα","","","0.05","","","0.128","","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519611","7.3545","0.001","7.3545","0.001","27.835","0.006","90","","90","","90","","1505.6","0.4","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C12 H15 F N6 O4 -","- C12 H15 F N6 O4 -","- C48 H60 F4 N24 O16 -","4","1","","Yang, Qinghua; Kang, Jinfeng; Zheng, Liyun; Wang, Xue-Jun; Wan, Na; Wu, Jie; Qiao, Yan; Niu, Pengfei; Wang, Sheng-Qi; Peng, Youmei; Wang, Qingduan; Yu, Wenquan; Chang, Junbiao","Synthesis and biological evaluation of 4-substituted fluoronucleoside analogs for the treatment of hepatitis B virus infection.","Journal of medicinal chemistry","2015","58","9","3693","3703","10.1021/jm5012963","","","0.71073","MoKα","","0.0498","0.045","","","0.1359","0.1465","","","","","","0.513","","","","has coordinates","138258","2020-10-21","18:00:00",""
"1519856","11.5009","0.0001","11.5009","0.0001","16.7834","0.0001","90","","90","","90","","2219.95","0.03","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","","","- C18 H24 N5 O2 P3 S2 -","- C18 H24 N5 O2 P3 S2 -","- C72 H96 N20 O8 P12 S8 -","4","1","","Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Coles, Simon J.; Hursthouse, Michael B.","C18H24N5O2P3S2","Crystal Structure Report Archive","2007","","","286","","","","","0.71073","MoKα","","0.0231","0.0218","","","0.0533","0.0539","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520585","10.3884","0.0001","10.3884","0.0001","28.732","0.0004","90","","90","","90","","3100.72","0.06","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H48 Hf N2 O4 -","- C32 H48 Hf N2 O4 -","- C128 H192 Hf4 N8 O16 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0851","0.0845","","","0.2228","0.2237","","","","","","1.065","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1535317","9.703","","9.703","","17.519","","90","","90","","90","","1649.38","","","","","","","","","","","","","3","P 43","P 4cw","78","","","","- Bi4 In2.67 K4.67 -","- Bi4 In2.66 K4.67 -","- Bi16 In10.64 K18.68 -","4","1","","Bobev, S.; Sevov, S.C.","Five Ternary Zintl Phases in the Systems Alkali-Metal Indium Bismuth","Journal of Solid State Chemistry","2001","163","","436","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1543601","10.019","0.003","10.019","0.003","42.875","0.012","90","","90","","90","","4304","2","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H28 O8 S -","- C22 H28 O8 S -","- C176 H224 O64 S8 -","8","2","","de Castro, Marcos V.; Ióca, Laura P; Williams, David E.; Costa, Bruna Z.; Mizuno, Carolina M.; Santos, Mario F. C.; de Jesus, Karen; Ferreira, Éverton L F; Seleghim, Mirna H. R.; Sette, Lara D.; Pereira Filho, Edenir R.; Ferreira, Antonio G.; Gonçalves, Natália S; Santos, Raquel A.; Patrick, Brian O.; Andersen, Raymond J.; Berlinck, Roberto G. S.","Condensation of Macrocyclic Polyketides Produced by Penicillium sp. DRF2 with Mercaptopyruvate Represents a New Fungal Detoxification Pathway.","Journal of natural products","2016","79","6","1668","1678","10.1021/acs.jnatprod.6b00295","","x-ray","0.71073","MoKα","","0.1165","0.1115","","","0.3003","0.3038","","","","","","1.071","","","","has coordinates","184149","2020-10-21","18:00:00",""
"1544824","13.9364","0.0002","13.9364","0.0002","34.5285","0.0007","90","","90","","90","","6706.24","0.19","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C66 H52 Cl12 N2 O4 -","- C66 H52 Cl12 N2 O4 -","- C264 H208 Cl48 N8 O16 -","4","1","","Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh","Enhanced intersystem crossing in core-twisted aromatics","Chem. Sci.","2017","8","3","1776","","10.1039/C6SC05126J","","","0.71073","MoKα","","0.1013","0.073","","","0.2046","0.2326","","","","","","1.022","","","","has coordinates,has disorder","288471","2023-12-21","10:03:37",""
"1544958","10.0307","0.0016","10.0307","0.0016","19.782","0.003","90","","90","","90","","1990.4","0.5","273.77","0.1","273.77","0.1","","","","","","","","4","P 43","P 4cw","78","","","","- C18 H30 N2 O5 -","- C18 H30 N2 O5 -","- C72 H120 N8 O20 -","4","1","","Song, Qiu-Yan; Yu, Hai-Tao; Zhang, Xing-Xu; Nan, Zhi-Biao; Gao, Kun","Dahurelmusin A, a Hybrid Peptide-Polyketide from Elymus dahuricus Infected by the Epichloë bromicola Endophyte.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03568","","x-ray","1.54184","CuKα","","0.0866","0.0527","","","0.1239","0.1508","","","","","","0.977","","","","has coordinates","189713","2020-10-21","18:00:00",""
"1545489","9.5435","0.0002","9.5435","0.0002","15.9424","0.0004","90","","90","","90","","1452.01","0.06","120","2","120","2","","","","","","","","3","P 43","P 4cw","78","","1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene","","- C9 H3 Cl9 -","- C9 H3 Cl9 -","- C36 H12 Cl36 -","4","1","","Tober, Natalie; Schollmeyer, Dieter; Detert, Heiner","1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene","IUCrData","2017","2","2","x170227","","10.1107/S2414314617002279","","","0.71073","MoKα","","0.0575","0.0553","","","0.133","0.1349","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","193951","2020-10-21","18:00:00",""
"1547176","14.4914","0.0003","14.4914","0.0003","14.4935","0.0005","90","","90","","90","","3043.64","0.14","100","","100","","","","","","","","","5","P 43","P 4cw","78","","","","- C17 H13 Br N2 O2 -","- C17 H13 Br N2 O2 -","- C136 H104 Br8 N16 O16 -","8","2","","Meninno, Sara; Roselli, Angelo; Capobianco, Amedeo; Overgaard, Jacob; Lattanzi, Alessandra","Diastereodivergent and Enantioselective Access to Spiroepoxides via Organocatalytic Epoxidation of Unsaturated Pyrazolones.","Organic letters","2017","19","19","5030","5033","10.1021/acs.orglett.7b02189","","x-ray","0.71073","MoKα","","0.0841","0.0553","","","0.0889","0.1055","","","","","","0.669","","","","has coordinates","202773","2020-10-21","18:00:00",""
"1548132","10.52378","0.00008","10.52378","0.00008","30.7376","0.0004","90","","90","","90","","3404.19","0.06","120","2","120","2","","","","","","","","3","P 43","P 4cw","78","","","","- C44 H42 Mn -","- C44 H42 Mn -","- C176 H168 Mn4 -","4","1","","Sharpe, Helen R.; Geer, Ana M.; Blundell, Toby J.; Hastings, Fiona R.; Fay, Michael W.; Rance, Graham A.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Dehydrocoupling of dimethylamine‒borane promoted by manganese(ii) m-terphenyl complexes","Catalysis Science & Technology","2018","8","1","229","","10.1039/C7CY02086D","","x-ray","1.54184","CuKα","K-L~2,3~","0.0376","0.0372","","","0.0995","0.0999","","","","","","1.067","","","","has coordinates","227960","2020-10-21","18:00:00",""
"1548199","25.5802","0.0001","25.5802","0.0001","12.5709","0.0001","90","","90","","90","","8225.73","0.08","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C41.5 H31 F12 N7 P2 Ru -","- C41.5 H31 F12 N7 P2 Ru -","- C332 H248 F96 N56 P16 Ru8 -","8","2","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","0.71073","MoKα","","0.0509","0.0408","","","0.0996","0.1071","","","","","","1.025","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1550082","8.5308","0.0011","8.5308","0.0011","31.893","0.004","90","","90","","90","","2321","0.5","200","2","200","2","","","","","","","","5","P 43","P 4cw","78","","Diethyl 4-(4-chloro-2-propyl-1<i>H</i>-imidazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate monohydrate","","- C19 H28 Cl N3 O5 -","- C19 H28 Cl N3 O5 -","- C76 H112 Cl4 N12 O20 -","4","1","SJ4194","Rasheeda, Kedila; Samshuddin, Seranthimata; Swathi, Phadke N.; Alva, Vijaya D. P.; Mague, Joel T.; Ramli, Youssef","Diethyl 4-(4-chloro-2-propyl-1<i>H</i>-imidazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate monohydrate","IUCrData","2018","3","10","x181470","","10.1107/S2414314618014700","","","0.71073","MoKα","","0.0761","0.0646","","","0.1727","0.182","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","211574","2020-10-21","18:00:00",""
"1551465","10.425","0.0015","10.425","0.0015","37.648","0.008","90","","90","","90","","4091.6","1.2","120","","120","","","","","","","","","7","P 43","P 4cw","78","","","","- C48 H38 Cl N O4 P2 Si -","- C48 H38 Cl N O4 P2 Si -","- C192 H152 Cl4 N4 O16 P8 Si4 -","4","1","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1843","0.0593","","","0.0957","0.1262","","","","","","0.989","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1555077","10.6627","0.0003","10.6627","0.0003","29.5381","0.0018","90","","90","","90","","3358.3","0.2","175","","175","","","","","","","","","5","P 43","P 4cw","78","","","","- C30 H22 Cl2 N4 O12 -","- C30 H22 Cl2 N4 O12 -","- C120 H88 Cl8 N16 O48 -","4","1","","Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion","Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.","Organic letters","2015","17","14","3494","3497","10.1021/acs.orglett.5b01576","","","0.71073","MoKα","","0.0899","0.0713","","0.0978","0.0848","0.0848","","","","","","1.1026","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1555211","18.5406","0.0005","18.5406","0.0005","21.1268","0.001","90","","90","","90","","7262.4","0.4","115","3","115","3","","","","","","","","6","P 43","P 4cw","78","","","","- C65 H65 Cl3 N4 O6 Zn -","- C65 H65 Cl3 N4 O6 Zn -","- C260 H260 Cl12 N16 O24 Zn4 -","4","1","","Zhou, Zaichun; Zhou, Xiaochun; Liu, Qiuhua; Zhang, Xi; Liu, Haomin","Fixation of Zinc(II) Ion to Dioxygen in a Highly Deformed Porphyrin: Implications for the Oxygen Carrier Mechanism of Distorted Heme.","Organic letters","2015","17","16","4078","4081","10.1021/acs.orglett.5b02010","","","1.54184","CuKα","","0.1261","0.0929","","","0.2435","0.273","","","","","","0.928","","","","has coordinates","238391","2020-10-21","18:00:00",""
"1555373","10.7582","0.0006","10.7582","0.0006","11.4283","0.0007","90","","90","","90","","1322.7","0.13","133","2","133","2","","","","","","","","5","P 43","P 4cw","78","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0295","0.0269","","","0.0645","0.0661","","","","","","1.065","","","","has coordinates","238573","2020-10-21","18:00:00",""
"1555993","11.1632","0.0009","11.1632","0.0009","12.0079","0.0019","90","","90","","90","","1496.4","0.3","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C21 H13 F N2 -","- C21 H13 F N2 -","- C84 H52 F4 N8 -","4","1","","Fan, Ling; Liu, Meilin; Ye, Yu; Yin, Guodong","Synthesis of 6-Substituted 6H-Indolo[2,3-b]quinolines from Isoindigos.","Organic letters","2017","19","1","186","189","10.1021/acs.orglett.6b03484","","","0.71073","MoKα","","0.0568","0.0418","","","0.0867","0.0942","","","","","","1.072","","","","has coordinates","239314","2020-10-21","18:00:00",""
"1556252","16.8981","0.0004","16.8981","0.0004","11.9461","0.0003","90","","90","","90","","3411.16","0.14","173","2","173.15","","","","","","","","","4","P 43","P 4cw","78","","","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C152 H136 N40 O16 -","8","2","","Su, Xin; Aprahamian, Ivan","Zinc(II)-regulation of hydrazone switch isomerization kinetics.","Organic letters","2013","15","23","5952","5955","10.1021/ol402789y","","","0.71073","MoKα","","0.1432","0.0613","","","0.11","0.1464","","","","","","0.98","","","","has coordinates","243598","2020-10-21","18:00:00",""
"1558051","18.3126","0.0004","18.3126","0.0004","15.7252","0.0005","90","","90","","90","","5273.5","0.2","296","","296","","","","","","","","","3","P 43","P 4cw","78","","N-deuterated bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","0.71073","MoKα","","0.0824","0.0465","","","0.1319","0.1527","","","","","","1.014","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1559335","9.8142","0.0004","9.8142","0.0004","54.0271","0.0012","90","","90","","90","","5203.8","0.3","120","","120","","","","","","","","","5","P 43","P 4cw","78","","","","- C59 H77 N2 Na O7 -","- C59 H77 N2 Na O7 -","- C236 H308 N8 Na4 O28 -","4","1","","Gruszka, Weronika; Lykkeberg, Anna; Nichol, Gary S.; Shaver, Michael P.; Buchard, Antoine; Garden, Jennifer A.","Combining alkali metals and zinc to harness heterometallic cooperativity in cyclic ester ring-opening polymerisation","Chemical Science","2020","","","","","10.1039/D0SC04705H","","x-ray","1.54184","CuKα","","0.0928","0.069","","","0.1656","0.176","","","","","","0.972","","","","has coordinates","258319","2020-10-21","18:00:00",""
"1559628","13.253","0.003","13.253","0.003","19.0733","0.0018","90","","90","","90","","3350.1","1.1","173","2","173","2","","","","","","","","6","P 43","P 4cw","78","","","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","1","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4268","synchrotron","","0.0956","0.0889","","","0.27","0.2797","","","","","","1.102","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1560412","12.2456","0.0006","12.2456","0.0006","15.208","0.0011","90","","90","","90","","2280.5","0.2","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 Eu N3 O9 Zn -","- C24 H16 Eu N3 O9 Zn -","- C96 H64 Eu4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.0912","0.0695","","","0.1658","0.1784","","","","","","1.027","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560415","12.222","0.001","12.222","0.001","15.0661","0.0018","90","","90","","90","","2250.5","0.4","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 Ho N3 O9 Zn -","- C24 H16 Ho N3 O9 Zn -","- C96 H64 Ho4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.153","0.1094","","","0.2668","0.3137","","","","","","1.038","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560416","12.1929","0.0004","12.1929","0.0004","15.0143","0.0007","90","","90","","90","","2232.13","0.15","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 Er N3 O9 Zn -","- C24 H16 Er N3 O9 Zn -","- C96 H64 Er4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.1056","0.0824","","","0.1733","0.1874","","","","","","1.087","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560417","12.2125","0.0004","12.2125","0.0004","15.0593","0.0006","90","","90","","90","","2246.02","0.14","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 N3 O9 Tm Zn -","- C24 H16 N3 O9 Tm Zn -","- C96 H64 N12 O36 Tm4 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.1007","0.0887","","","0.2262","0.2376","","","","","","1.076","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560436","7.4781","0.0001","7.4781","0.0001","33.0219","0.001","90","","90","","90","","1846.65","0.07","150","","150","","","","","","","","","3","P 43","P 4cw","78","","2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalene-4,9-dione","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","2","HB4372","Kotha, Sambasivarao; Fatma, Ambareen; Ansari, Saima","2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalene-4,9-dione","IUCrData","2021","6","2","x210167","","10.1107/S241431462100167X","","x-ray","0.71073","MoKα","","0.0689","0.0598","","","0.1642","0.1822","","","","","","1.0523","","","","has coordinates,has Fobs","262022","2021-02-17","06:13:37",""
"1562699","13.1297","0.0003","13.1297","0.0003","16.7858","0.0008","90","","90","","90","","2893.69","0.17","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H24 N12 O12 Pb2 -","- C20 H24 N12 O12 Pb2 -","- C80 H96 N48 O48 Pb8 -","4","1","","Liu, Jin-jian; Liu, Zu-Liang; Cheng, Jian; Fang, Dong","Synthesis, crystal structure and catalytic effect on thermal decomposition of RDX and AP: An energetic coordination polymer [Pb2(C5H3N5O5)2(NMP)·NMP]","Journal of Solid State Chemistry","2013","200","","43","48","10.1016/j.jssc.2013.01.014","","","0.71073","MoKα","","0.0454","0.0387","","","0.0785","0.0827","","","","","","1.006","","","","has coordinates","265358","2021-05-20","07:37:10",""
"1564046","10.7365","0.0013","10.7365","0.0013","12.6548","0.0019","90","","90","","90","","1458.7","0.3","193","2","193","2","","","","","","","","5","P 43","P 4cw","78","","","","- C13 H19 N2 Na O4 -","- C13 H19 N2 Na O4 -","- C52 H76 N8 Na4 O16 -","4","1","","Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín","Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour","Inorganica Chimica Acta","2020","513","","119923","","10.1016/j.ica.2020.119923","","","0.71073","MoKα","","0.0308","0.027","","","0.0646","0.0659","","","","","","1.025","","","","has coordinates","267382","2021-07-08","08:26:23",""
"1564047","11.1555","0.0009","11.1555","0.0009","12.526","0.002","90","","90","","90","","1558.8","0.3","193","2","193","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín","Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour","Inorganica Chimica Acta","2020","513","","119923","","10.1016/j.ica.2020.119923","","","0.71073","MoKα","","0.0298","0.027","","","0.0644","0.0656","","","","","","1.049","","","","has coordinates","267382","2021-07-08","08:26:26",""
"1564839","11.2163","0.0011","11.2163","0.0011","22.862","0.003","90","","90","","90","","2876.2","0.5","110","","110","","","","","","","","","7","P 43","P 4cw","78","","(PBP)RhPyBr","","- C29 H40 B Br N P2 Rh -","- C29 H40 B Br N P2 Rh -","- C116 H160 B4 Br4 N4 P8 Rh4 -","4","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Cooperative C-H Activation of Pyridine by PBP Complexes of Rh and Ir Can Lead to Bridging 2-Pyridyls with Different Connectivity to the B-M Unit","Chemical Science","2021","","","","","10.1039/D1SC01850G","","","0.71073","MoKα","","0.0287","0.0243","","","0.0464","0.0478","","","","","","1","","","","has coordinates,has disorder","269796","2021-10-06","22:15:27",""
"1566063","9.102","0.0009","9.102","0.0009","24.6","0.002","90","","90","","90","","2038","0.3","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H17 N3 O4 Zn -","- C20 H17 N3 O4 Zn -","- C80 H68 N12 O16 Zn4 -","4","1","","Wan, Xiaoyu; Zhang, Yifan; Wang, Huaiwei; Lu, Jing; Li, Dacheng; Dou, Jianmin; Li, Yunwu; Wang, Suna","One amino-functionalized luminescence sensor demonstrating high sensitivity and selectivity for detecting Al3+ and Cu2+ as well as its luminescent mixed matrix membranes and test papers","Journal of Solid State Chemistry","2022","305","","122705","","10.1016/j.jssc.2021.122705","","","0.71073","MoKα","","0.1556","0.0968","","","0.2219","0.2461","","","","","","1.129","","","","has coordinates","272156","2022-01-20","10:03:51",""
"1569694","11.977","0.005","11.977","","42.045","0.013","90","","90","","90","","6031","3","173","2","173","2","","","","","","","","4","P 43","P 4cw","78","","","","- C36 H34 N4 O3 -","- C36 H34 N4 O3 -","- C288 H272 N32 O24 -","8","2","","Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu","Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.","Chemical science","2023","14","35","9496","9502","10.1039/d3sc02705h","","","1.54178","CuKα","","0.0656","0.0488","","","0.1268","0.1399","","","","","","1.029","","","","has coordinates","286719","2023-10-05","23:53:17",""
"1570260","13.0969","0.0002","13.0969","0.0002","8.2344","0.0002","90","","90","","90","","1412.44","0.05","150","","150","","","","","","","","","3","P 43","P 4cw","78","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0274","0.0273","","","0.0716","0.0716","","","","","","1.07","","","","has coordinates","288742","2024-01-06","07:22:19",""
"2001565","9.264","0.003","9.264","0.003","35.503","0.012","90","","90","","90","","3046.9","1.7","","","","","","","","","","","","6","P 43","P 43","","","","","- C25 H34 Cu N6 O8 S -","- C25 H28 Cu N7 O11 S -","- C100 H112 Cu4 N28 O44 S4 -","4","1","HU1013","Fritsky, I. O.; Lampeka, R. D.; Kravtsov, V. Kh.; Simonov, Y. A.","Structure of <i>catena</i>-poly[tris(pyridine)copper-μ-{<i>N</i>-(2-hydroxyiminopropionyl)-<small>L</small>-methioninato(1‒)-<i>O</i>'',<i>N</i>':<i>O</i>}] nitrate ethanol solvate","Acta Crystallographica Section C","1993","49","6","1041","1044","10.1107/S0108270192012836","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001867","7.542","0.002","7.542","0.002","33.266","0.002","90","","90","","90","","1892.2","0.7","","","","","","","","","","","","4","P 43","P 43","","","","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","HH0508","Rajnikant; Goswami, K. N.; Yadava, V. S.; Padmanabhan, V. M.; Banerjee, S. K.","Structure of (‒)-β-hydrastine","Acta Crystallographica Section C","1993","49","3","504","506","10.1107/S0108270192006620","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003816","17.224","0.003","17.224","0.003","7.416","0.002","90","","90","","90","","2200.1","0.8","293","2","293","2","","","","","","","chemical synthesis","5","P 43","P 4cw","78","","(1S)-2-[(1S,1'S)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol","","- C21 H33 Cl N2 O2 -","- C21 H33 Cl N2 O2 -","- C84 H132 Cl4 N8 O8 -","4","1","MU1165","Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.","Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic","Acta Crystallographica Section C","1995","51","8","1675","1680","10.1107/S0108270195001478","","","1.54178","CuKα","","0.1211","0.0616","","0.1876","0.1527","","","","0.958","1.139","1.139","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006181","25.372","0.001","25.372","0.001","12.726","0.002","90","","90","","90","","8192.2","1.4","183","2","183","2","","","","","","","","7","P 43","P 4cw","78","","","","- C40 H32 F12 N7 O0.5 P2 Ru -","- C40 H32 F12 N7 O0.5 P2 Ru -","- C320 H256 F96 N56 O4 P16 Ru8 -","8","2","BK1256","Maloney, David J.; MacDonnell, Frederick M.","Λ-Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')ruthenium(II) Bis(hexafluorophosphate)‒Acetonitrile‒Diethyl Ether (1/1/0.5)","Acta Crystallographica Section C","1997","53","6","705","707","10.1107/S0108270197001091","","","0.71073","MoKα","","0.01","0.063","","0.16","0.139","","","","1.04","1.07","1.07","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006538","8.985","0.0008","8.985","0.0008","17.1652","0.001","90","","90","","90","","1385.75","0.19","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","(11R-trans)-11-ethylthio-1,2,3,10,11,11a-hexahydro‒5H-pyrrolo[2,1-c][1,4] benzodiazepin-5-one","","- C14 H18 N2 O S -","- C14 H18 N2 O S -","- C56 H72 N8 O4 S4 -","4","1","SK1103","Kubicki, Maciej; Szkaradzińska, Maria B.; Codding, Penelope W.","(11<i>R</i>,11a<i>S</i>-<i>trans</i>)-11-Ethylthio-2,3,5,10,11,11a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepin-5-one","Acta Crystallographica Section C","1997","53","9","1288","1290","10.1107/S0108270197005581","","","1.54178","CuKα","","0.0558","0.0529","","0.1476","0.1443","","","","1.083","1.115","1.115","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007120","9.5229","0.0011","9.5229","0.0011","14.736","0.002","90","","90","","90","","1336.3","0.3","170","1","170","1","","","","","","","","3","P 43","P 4cw","78","O-methyldehydronorcacalol","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","QB0029","Parvez, Masood; Kulanthaivel, Palaniappan; Benn, Michael H.","<i>O</i>-Methyldehydronorcacalol","Acta Crystallographica Section C","1998","54","3","IUC9800005","","10.1107/S0108270198099806","","","0.71069","MoKα","","0.0844","0.0377","","","","0.1065","","","","","","1.027","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007179","12.1747","0.0016","12.1747","0.0016","13.791","0.002","90","","90","","90","","2044.1","0.5","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","N,N'-dibutylthiourea-(N-salicylideneglycinato)copper(II)","","- C18 H27 Cu N3 O3 S -","- C18 H27 Cu N3 O3 S -","- C72 H108 Cu4 N12 O12 S4 -","4","1","JZ1262","Warda, Salam A.","An Exact Quasi-Ferrodistortive Ordering in (<i>N</i>,<i>N</i>'-Di-<i>n</i>-butylthiourea-<i>S</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","4","460","462","10.1107/S0108270197016582","","","0.71073","MoKα","","0.0545","0.035","","","","0.0803","","","","","","1.018","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008451","12.105","0.003","12.105","0.003","5.776","0.003","90","","90","","90","","846.4","0.5","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","2-amino-4-phenylthiazole","","- C9 H8 N2 S -","- C9 H8 N2 S -","- C36 H32 N8 S4 -","4","1","DA1045","Au-Alvarez, Oscar; Peterson, Ronald C.; Crespo, Alexis Acosta; Esteva, Yolanda Rodríguez; Alvarez, Heidy Marquez; Stiven, Ana M. Plutín; Hernández, Ramón Pomés","2-Amino-4-phenylthiazole","Acta Crystallographica Section C","1999","55","5","821","823","10.1107/S0108270199001961","","","0.71073","MoKα","","0.066","0.042","","","","0.105","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009418","12.4","0.001","12.4","0.001","7.102","0.001","90","","90","","90","","1092","0.2","293","2","293","2","","","","","","","","3","P 43","P 4cw","78","","2,7-Anhydro-4,5-O-isopropylidene-β-D-altro-2-heptulopyranose","","- C10 H16 O6 -","- C10 H16 O6 -","- C40 H64 O24 -","4","1","SE1033","Kopf, Jürgen; Abeln, Dirk; Köll, Peter","Structure of isopropylidene sedoheptulosan","Acta Crystallographica Section C","1994","50","1","83","85","10.1107/S0108270193007218","","","1.54178","CuKα","","0.0303","0.0277","","0.073","0.0711","","","","0.998","1.01","1.01","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2010963","14.381","0.002","14.381","0.002","12.265","0.002","90","","90","","90","","2536.6","0.6","296","","","","","","","","","","","4","P 43","P 4cw","78","","","","- C23 H29 N O11 -","- C23 H29 N O11 -","- C92 H116 N4 O44 -","4","1","QA0282","Kani, Yoshiyuki; Ohba, Shigeru; Oishi, Takeshi; Ando, Koji; Inomiya, Kenjin; Chida, Noritaka","(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>S</i>)-6-Benzyloxymethyl-4-(methoxymethyloxy)-9-oxo-8-oxa-1-azabicyclo[4.3.0]nonane-2,3,5-triyl triacetate","Acta Crystallographica Section C","2000","56","5","e223","e223","10.1107/S0108270100005618","","","0.71073","MoKα","","","0.047","","","","0.116","","","","","","1.19","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012725","13.3288","0.0002","13.3288","0.0002","20.5834","0.0007","90","","90","","90","","3656.78","0.15","150","1","150","1","","","","","","","","5","P 43","P 4cw","78","","bis{μ-2,2'-[hexane-1,6-diylbis(nitrilomethylidyne)]diphenolato- 1:2κ^4^O,N:N',O'}dicopper(II)","","- C40 H44 Cu2 N4 O4 -","- C40 H44 Cu2 N4 O4 -","- C160 H176 Cu8 N16 O16 -","4","1","SK1547","Friščić, Tomislav; Lough, Alan J.; Ferguson, George; Kaitner, Branko","Enantiomeric bis(μ-<i>N</i>,<i>N</i>'-hexamethylenedisalicylaldiminato)dicopper(II) complexes","Acta Crystallographica Section C","2002","58","5","m313","m315","10.1107/S0108270102006297","","","0.71073","MoKα","","0.113","0.049","","","0.081","0.098","","","","","","0.956","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016999","19.1006","0.0014","19.1006","0.0014","7.2128","0.0004","90","","90","","90","","2631.5","0.3","298","2","298","2","","","","","","","","3","P 43","P 4cw","78","Lupeol","3β-lup-20(29)-en-3-ol","","- C30 H50 O -","- C30 H50 O -","- C120 H200 O4 -","4","1","EM3022","Corrêa, Rodrigo S.; Coelho, Carla P.; dos Santos, Marcelo H.; Ellena, Javier; Doriguetto, Antônio C.","Lupeol","Acta Crystallographica Section C","2009","65","3","o97","o99","10.1107/S0108270109004910","","","0.71073","MoKα","","","0.0449","","","","0.1126","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018150","8.4243","0.0001","8.4243","0.0001","25.6975","0.0009","90","","90","","90","","1823.72","0.07","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","<i>catena</i>-poly[[bis(pyridine-κ<i>N</i>)zinc(II)]-μ-2-aminobenzene-1,4- dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^]","","- C18 H15 N3 O4 Zn -","- C18 H15 N3 O4 Zn -","- C72 H60 N12 O16 Zn4 -","4","1","KY3002","Han, Lei; Xu, Lan-Ping; Zhao, Wen-Na","A chiral interdigitated supramolecular network assembled from single-stranded helical tubes","Acta Crystallographica Section C","2011","67","7","m227","m229","10.1107/S0108270111022566","","","0.71073","MoKα","","0.07","0.0431","","","0.068","0.0706","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2022083","8.8994","0.0005","8.8994","0.0005","11.375","0.0011","90","","90","","90","","900.89","0.11","303","1","303","1","","","","","","","","5","P 43","P 4cw","78","","Poly[2-hydroxy-<i>N</i>-methylethan-1-aminium [μ~3~-cyanido-κ^3^<i>C</i>:<i>C</i>:<i>N</i>-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-dicuprate(I)]]","","- C6 H10 Cu2 N4 O -","- C6 H10 Cu2 N4 O -","- C24 H40 Cu8 N16 O4 -","4","1","OP3005","Koenigsmann, Christopher; Rachid, Leena N.; Sheedy, Christina M.; Corfield, Peter W. R.","Synthesis, decomposition studies and crystal structure of a three-dimensional CuCN network structure with protonated <i>N</i>-methylethanolamine as the guest cation","Acta Crystallographica Section C","2020","76","5","","","10.1107/S2053229620004477","","","0.7107","MoKα","","0.0281","0.0248","","","0.0476","0.0483","","","","","","1.079","","","","has coordinates,has Fobs","250918","2020-10-21","18:00:00",""
"2022376","10.6631","0.0006","10.6631","0.0006","25.203","0.002","90","","90","","90","","2865.6","0.3","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","Poly[{μ-bis[4-(2-methylimidazol-1-yl)phenyl] ether-κ^2^<i>N</i>^3^:<i>N</i>^3'^}(μ-naphthalene-1,4-dicarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^4^,<i>O</i>^4'^)cadmium(II)]","","- C32 H24 Cd N4 O5 -","- C32 H24 Cd N4 O5 -","- C128 H96 Cd4 N16 O20 -","4","1","OV3147","Wu, Ji-Pei; Cheng, Yi-Chuan; Lu, Lei; Wang, Jun; Qiao, Shan-Bao","A fourfold interpenetrating three-dimensional cadmium(II) coordination polymer: synthesis, crystal structure and physical properties","Acta Crystallographica Section C","2021","77","6","257","261","10.1107/S2053229621004642","","","0.71073","MoKα","","0.0269","0.0255","","","0.0646","0.066","","","","","","1.1","","","","has coordinates,has Fobs","267276","2021-07-06","06:40:21",""
"2022983","7.74413","0.00003","7.74413","0.00003","53.4131","0.0003","90","","90","","90","","3203.27","0.03","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","3-Benzyl-2-[bis(1<i>H</i>-pyrrol-2-yl)methyl]thiophene","","- C20 H18 N2 S -","- C20 H18 N2 S -","- C160 H144 N16 S8 -","8","2","JY2043","Sadikhova, Nurlana D.; Atioğlu, Zeliha; Guliyeva, Narmina A.; Shelukho, Evgeniya R.; Polyanskaya, Darya K.; Khrustalev, Victor N.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1<i>H</i>-pyrrol-2-yl)methyl]thiophene.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","72","77","10.1107/S2056989023010800","","","1.54184","CuKα","","0.0294","0.029","","","0.0765","0.077","","","","","","1.029","","","","has coordinates,has Fobs","289685","2024-02-05","12:05:57",""
"2100924","4.938","0.001","4.938","0.001","36.907","0.008","90","","90","","90","","899.9","0.3","","","","","","","","","","","","4","P 43","P 43","","","","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C24 H56 N8 O24 -","4","1","CR0432","André, C.; Luger, P.; Fuhrhop, J.-H.; Rosengarten, B.","Molecular recognition in polyols: the structure of <small>L</small>-mannonic acid hydrazide revealing a common packing motif in different acyclic sugars","Acta Crystallographica Section B","1993","49","2","375","382","10.1107/S0108768192010978","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102238","21.6978","0.0002","21.6978","0.0002","7.4057","0.0001","90","","90","","90","","3486.56","0.07","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H42 Ba N10 O15 S2 -","- C20 H42 Ba N10 O15 S2 -","- C80 H168 Ba4 N40 O60 S8 -","4","1","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0393","0.0359","","","0.0864","0.0885","","","","","","1.048","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103791","13.75","0.005","13.75","0.005","7.319","0.004","90","","90","","90","","1383.7","1","293","2","293","2","","","","","","","","3","P 43","P 4cw","78","Aplysinol","","","- C15 Br O2 -","- C15 Br O2 -","- C60 Br4 O8 -","4","1","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.7107","MoKα","","0.0093","0.0085","","","0.0466","0.05","","","","","","0.308","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103792","9.717","0.008","9.717","0.008","18.217","0.009","90","","90","","90","","1720","2","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","(2-Hydroxyethanolato)-oxo-(N-(1-oxy-2-methylprop-2-yl)-2-oxy-1-naphthaldimato)- -vanadium(v)","","- C17 H20 N O5 V -","- C17 H20 N O5 V -","- C68 H80 N4 O20 V4 -","4","1","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.7107","MoKα","","0.0077","0.0076","","","0.0298","0.0306","","","","","","0.178","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104335","12.107","0.001","12.107","0.001","11.0911","0.0018","90","","90","","90","","1625.7","0.3","295","2","295","2","","","","","","","","3","P 43","P 4cw","78","CaTeO3","calcium(II) tellurium(IV) oxide - alpha","","- Ca O3 Te -","- Ca O3 Te -","- Ca20 O60 Te20 -","20","5","SN5078","Stöger, Berthold; Weil, Matthias; Zobetz, Erich; Giester, Gerald","Polymorphism of CaTeO~3~ and solid solutions Ca~<i>x~</i>Sr~1{-~<i>x</i>}TeO~3~","Acta Crystallographica Section B","2009","65","2","167","181","10.1107/S0108768109002997","","","0.71073","MoKα","","0.0337","0.0298","","","0.0569","0.058","","","","","","1.025","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104369","11.4899","0.0001","11.4899","0.0001","16.7827","0.0002","90","","90","","90","","2215.62","0.04","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","","","- C18 H24 N5 O2 P3 S2 -","- C18 H24 N5 O2 P3 S2 -","- C72 H96 N20 O8 P12 S8 -","4","1","RY5024","Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem","Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes <i>via</i> chiral high-performance liquid chromatography","Acta Crystallographica Section B","2009","65","3","355","362","10.1107/S0108768109006120","","","0.71073","MoKα","","0.0304","0.0275","","","0.0645","0.0661","","","","","","1.033","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2202608","7.496","0.002","7.496","0.002","27.941","0.005","90","","90","","90","","1570","0.7","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","catena-Poly[dibromozinc(II)]-μ-(R,R)-1,2-diacetamidocyclohexane]","","- C10 H18 Br2 N2 O2 Zn -","- C10 H18 Br2 N2 O2 Zn -","- C40 H72 Br8 N8 O8 Zn4 -","4","1","DN6082","Bekaert, Alain; Lemoine, Pascale; Brion, Jean Daniel; Viossat, Bernard","<i>catena</i>-Poly[[dibromozinc(II)]-μ-(<i>R,R</i>)-1,2-diacetamidocyclohexane]","Acta Crystallographica Section E","2003","59","8","m574","m575","10.1107/S1600536803014570","","","0.71073","MoKα","","0.1048","0.0305","","","0.0622","0.0759","","","","","","0.949","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203283","11.4599","0.0002","11.4599","0.0002","11.6864","0.0002","90","","90","","90","","1534.77","0.05","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","(S,Sp)-2-[4-(1-methylethyl)-4,5-dihydrooxazol-1-yl]ferrocenecarboxylic acid","","- C17 H19 Fe N O3 -","- C17 H19 Fe N O3 -","- C68 H76 Fe4 N4 O12 -","4","1","CV6269","Štěpnička, Petr; Císařová, Ivana","(<i>S,S</i>~<i>p~</i>)-2-[4-(1-Methylethyl)-4,5-dihydrooxazol-1-yl]ferrocenecarboxylic acid","Acta Crystallographica Section E","2004","60","3","m288","m290","10.1107/S1600536804002685","","","0.71073","MoKα","","0.0369","0.0339","","","0.0845","0.0874","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203690","8.2766","0.0012","8.2766","0.0012","23.648","0.004","90","","90","","90","","1619.9","0.4","193","2","193","2","","","","","","","","5","P 43","P 4cw","78","","Bis(2-formylpyridine semicabazonato)nickel(II)","","- C14 H14 N8 Ni O2 -","- C14 H14 N8 Ni O2 -","- C56 H56 N32 Ni4 O8 -","4","1","YA6201","Jian Zhou; Zhen-Feng Chen; Xian-Wen Wang; Yan-Shu Tan; Hong Liang; Yong Zhang","Bis(2-formylpyridine semicabazonato)nickel(II)","Acta Crystallographica Section E","2004","60","5","m568","m570","10.1107/S1600536804008207","","","0.7107","MoKα","","0.027","0.026","","","0.055","0.056","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204733","6.706","0.003","6.706","0.003","21.834","0.016","90","","90","","90","","981.9","1","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","catena-Poly[[aquanitritosilver(I)]μ-1,4-diazabicyclo[2,2,2]octane-κ^2^N:N']","","- C6 H14 Ag N3 O3 -","- C6 H14 Ag N3 O3 -","- C24 H56 Ag4 N12 O12 -","4","1","LH6294","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","<i>catena</i>-Poly[[aquanitritosilver(I)]-μ-1,4-diazabicyclo[2,2,2]octane-κ^2^<i>N:N</i>']","Acta Crystallographica Section E","2004","60","12","m1744","m1746","10.1107/S1600536804026650","","","0.71073","MoKα","","0.0409","0.0404","","","0.0953","0.0957","","","","","","1.285","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204981","10.5872","0.0011","10.5872","0.0011","11.9509","0.0012","90","","90","","90","","1339.6","0.2","110","2","110","2","","","","","","","","5","P 43","P 4cw","78","","(S)-(Acetylacetonato-κ^2^O,O')[2-(1-aminoethyl)phenyl- κ^2^C^1^,N]palladium(II)","","- C13 H17 N O2 Pd -","- C13 H17 N O2 Pd -","- C52 H68 N4 O8 Pd4 -","4","1","WW6314","Calmuschi, Beatrice; Englert, Ulli","(<i>S</i>)-(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)","Acta Crystallographica Section E","2005","61","1","m164","m165","10.1107/S1600536804032842","","","0.71073","MoKα","","0.0207","0.0196","","","0.0471","0.0476","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204982","10.951","0.005","10.951","0.005","12.442","0.007","90","","90","","90","","1492.1","1.3","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","(S)-2-(1-Aminoethyl)phenyl-κ^2^C^1^,N](hexafluoroacetylacetonato- κ^2^O,O')palladium(II)","","- C13 H9 F6 N O2 Pd -","- C13 H9 F6 N O2 Pd -","- C52 H36 F24 N4 O8 Pd4 -","4","1","WW6315","Calmuschi, Beatrice; Englert, Ulli","(<i>S</i>)-[2-(1-Aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>](hexafluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section E","2005","61","1","m166","m167","10.1107/S1600536804032854","","","0.71073","MoKα","","0.0384","0.0367","","","0.0936","0.0946","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205274","8.824","0.002","8.824","0.002","27.733","0.01","90","","90","","90","","2159.4","1","293","2","293","2","","","","","","","","3","P 43","P 4cw","78","avicennin B","3,4-Dihydro-8-hydroxy-3,5-dimethyl-7-methoxyisocoumarin","","- C12 H14 O4 -","- C12 H14 O4 -","- C96 H112 O32 -","8","2","HG6126","Jun, Wang; Hua-Rong Huang; Xiao-Long Feng; Yong-Cheng Lin; Shi-Ning Zhou","3,4-Dihydro-8-hydroxy-3,5-dimethyl-7-methoxyisocoumarin (avicennin B)","Acta Crystallographica Section E","2005","61","3","o784","o785","10.1107/S1600536805002771","","","0.71073","MoKα","","0.0487","0.0381","","","0.1038","0.1107","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205781","8.2117","0.0006","8.2117","0.0006","27.44","0.003","90","","90","","90","","1850.3","0.3","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","1,3,3,5-tetramethyl-6'-chloro-8'-bromoSpiro[(2'H,1'- benzopyran)-2,2'-indolines]","","- C20 H19 Br Cl N O -","- C20 H19 Br Cl N O -","- C80 H76 Br4 Cl4 N4 O4 -","4","1","OB6504","Hui Guo; Yong-Bin Gao; Jie Han; Ji-Ben Meng","8-Bromo-6-chloro-1',3',3',5'-tetramethylspiro[2<i>H</i>-1-benzopyran-2,2'-indoline]","Acta Crystallographica Section E","2005","61","5","o1461","o1462","10.1107/S1600536805011864","","","0.71073","MoKα","","0.0413","0.029","","","0.0654","0.069","","","","","","1.017","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205984","10.8281","0.0019","10.8281","0.0019","19.043","0.004","90","","90","","90","","2232.7","0.7","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","Sodium [1,2-bis(2-methyl-2-oxopropanamido)benzene](tetrahydrofuran)manganese(III) methanol solvate","","- C19 H28 Mn N2 Na O6 -","- C19 H28 Mn N2 Na O6 -","- C76 H112 Mn4 N8 Na4 O24 -","4","1","IS6072","Berggren, Gustav; Anderlund, Magnus F.; Magnuson, Ann; Åkermark, Björn; Eriksson, Lars","Sodium [1,2-bis(2-methyl-2-oxopropanamido)benzene](tetrahydrofuran)manganese(III) methanol solvate","Acta Crystallographica Section E","2005","61","6","m1169","m1171","10.1107/S1600536805015230","","","0.71073","MoKα","","0.048","0.0363","","","0.0778","0.082","","","","","","0.976","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206815","15.822","0.004","15.822","0.004","12.844","0.004","90","","90","","90","","3215.3","1.5","294","2","294","2","","","","","","","","4","P 43","P 4cw","78","","N,N-bis(3,5-di-tert-butyl-4-hydroxybenzyl)-N-propylamine","","- C33 H53 N O2 -","- C33 H53 N O2 -","- C132 H212 N4 O8 -","4","1","WW6399","Zeng, Tao; Shu, Xue-Gui; Dong, Chuan-Ming; Chen, Li-Gong","<i>N</i>,<i>N</i>-Bis(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)-<i>N</i>-propylamine","Acta Crystallographica Section E","2005","61","9","o2999","o3000","10.1107/S1600536805025961","","","0.71073","MoKα","","0.1384","0.0535","","","0.1222","0.1644","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208719","8.7795","0.0012","8.7795","","26.02","0.005","90","","90","","90","","2005.6","0.5","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","fumitremorgine C","1,2,3,5a,6,11,12,14a-Octahydro-9-methoxy-12-(2-methylprop-1-enyl)-5H,14H- pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C88 H100 N12 O12 -","4","1","SJ2013","Wang, Feng-Wu; Jiao, Rui-Hua; Tan, Ren-Xiang; Zhu, Hai-Liang; Tiekink, Edward R. T.","1,2,3,5a,6,11,12,14a-Octahydro-9-methoxy-12-(2-methylprop-1-enyl)-5<i>H</i>,14<i>H</i>-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-<i>b</i>]indole-5,14-dione","Acta Crystallographica Section E","2006","62","4","o1375","o1377","10.1107/S1600536806007513","","","0.71073","MoKα","","0.078","0.044","","","0.124","0.136","","","","","","1.21","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210180","16.887","0.006","16.887","0.006","13.332","0.005","90","","90","","90","","3802","2","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","Ethyl 1-acetyl-3-amino-1H-pyrazole-4-carboxylate","","- C8 H11 N3 O3 -","- C8 H11 N3 O3 -","- C128 H176 N48 O48 -","16","4","CS2018","Koziol, Anna E.; Lis, Tadeusz; Kolodziejczyk, Edyta; Kusakiewicz-Dawid, Anna; Rzeszotarska, Barbara","Ethyl 1-acetyl-3-amino-1<i>H</i>-pyrazole-4-carboxylate, a tetragonal structure with <i>Z</i>' = 4","Acta Crystallographica Section E","2006","62","9","o3664","o3666","10.1107/S1600536806029515","","","0.71073","MoKα","","0.0635","0.0461","","","0.1086","0.115","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212116","7.958","0.0011","7.958","0.0011","29.249","0.006","90","","90","","90","","1852.3","0.5","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","N-(2,4-Dichlorophenoxyacetyl)-N'-(2,4,6-trichlorophenyl)thiourea","","- C15 H9 Cl5 N2 O2 S -","- C15 H9 Cl5 N2 O2 S -","- C60 H36 Cl20 N8 O8 S4 -","4","1","CV2164","Qian-Jin Li; Chun-Long Yang; Xue-Qun Xie","<i>N</i>-(2,4-Dichlorophenoxyacetyl)-<i>N</i>'-(2,4,6-trichlorophenyl)thiourea","Acta Crystallographica Section E","2007","63","2","o773","o774","10.1107/S1600536806054201","","","0.71073","MoKα","","0.0937","0.0574","","","0.1263","0.1447","","","","","","0.985","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212538","10.167","0.0002","10.167","0.0002","16.7997","0.0005","90","","90","","90","","1736.55","0.07","293","2","293","","","","","","","","","4","P 43","P 4cw","","","(1S,2R,2'S,3'aS,5R)-2'-[(1R)-1-Hydroxyethyl]-2-isopropyl-5,5'-dimethyl- 3',3'a-dihydro-2'H-spiro[cyclohexane-1,6'-imidazo[1,5-b]isoxazol]-4'(5'H)-one","","- C17 H30 N2 O3 -","- C17 H30 N2 O3 -","- C68 H120 N8 O12 -","4","1","FB2035","Aouadi, Kaiss; Jeanneau, Erwann; Praly, Jean-Pierre","(1<i>S</i>,2<i>R</i>,2'<i>S</i>,3'a<i>S</i>,5<i>R</i>)-2'-[(1<i>S</i>)-1-Hydroxyethyl]-2-isopropyl-5,5'-dimethyl-3',3'a-dihydro-2'<i>H</i>-spiro[cyclohexane-1,6'-imidazo[1,5-<i>b</i>]isoxazol]-4'(5'<i>H</i>)-one","Acta Crystallographica Section E","2007","63","3","o1324","o1326","10.1107/S1600536807006812","","","0.71073","MoKα","","0.0587","0.0454","","","0.1127","0.1265","","","","","","1.122","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212965","13.1585","0.0005","13.1585","0.0005","15.847","0.0013","90","","90","","90","","2743.8","0.3","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","N-{(Aminocarbonyl)[(S)-4-nitrobenzyl]methyl}-N-{[(R)- cyclohexyl](cyclohexylaminocarbonyl)methyl}propanamide methanol solvate","","- C27 H42 N4 O6 -","- C27 H42 N4 O6 -","- C108 H168 N16 O24 -","4","1","NC2029","Guzei, Ilia A.; Spencer, Lara C.; Lin, Qi; Blackwell, Helen E.","<i>N</i>-{(Aminocarbonyl)[(<i>S</i>)-4-nitrobenzyl]methyl}-<i>N</i>-{[(<i>R</i>)-cyclohexyl](cyclohexylaminocarbonyl)methyl}propanamide methanol solvate","Acta Crystallographica Section E","2007","63","4","o1892","o1894","10.1107/S1600536807012299","","","0.71073","Mo-Kα","","0.0389","0.0355","","","0.0914","0.0958","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214533","4.999","0.002","4.999","0.002","35.876","0.006","90","","90","","90","","896.5","0.5","299","2","299","2","","","","","","","","5","P 43","P 4cw","78","","2-Chloro-<i>N</i>-(3-nitrophenyl)acetamide","","- C8 H7 Cl N2 O3 -","- C8 H7 Cl N2 O3 -","- C32 H28 Cl4 N8 O12 -","4","1","BT2406","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","2-Chloro-<i>N</i>-(3-nitrophenyl)acetamide","Acta Crystallographica Section E","2007","63","8","o3364","o3364","10.1107/S1600536807031649","","","1.5418","CuKα","","0.0711","0.0655","","","0.1668","0.1876","","","","","","1.133","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217119","8.019","0.0011","8.019","0.0011","24.147","0.005","90","","90","","90","","1552.8","0.4","294","2","294","2","","","","","","","","4","P 43","P 4cw","78","","(E)-5-Phenyl-N'-(1-phenylethylidene)-1H-pyrazole-3-carbohydrazide","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C72 H64 N16 O4 -","4","1","HK2398","Yongqi Qin; Fangfang Jian; Hailian Xiao; Jing Zhang","(<i>E</i>)-5-Phenyl-<i>N</i>'-(1-phenylethylidene)-1<i>H</i>-pyrazole-3-carbohydrazide","Acta Crystallographica Section E","2008","64","1","o320","o320","10.1107/S160053680706223X","","","0.71073","MoKα","","0.1164","0.0538","","","0.1136","0.1431","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217615","8.931","0.002","8.931","0.002","15.816","0.004","90","","90","","90","","1261.5","0.5","299","2","299","2","","","","","","","","4","P 43","P 4cw","78","","2-Methyl-<i>N</i>-(3-methylphenyl)benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","OM2212","B. Thimme Gowda; Sabine Foro; B. P. Sowmya; Hartmut Fuess","2-Methyl-<i>N</i>-(3-methylphenyl)benzamide","Acta Crystallographica Section E","2008","64","2","o541","o541","10.1107/S1600536808003103","","","1.5418","CuKα","","0.0392","0.0363","","","0.0976","0.1002","","","","","","1.073","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218216","8.8237","0.0008","8.8237","0.0008","15.977","0.002","90","","90","","90","","1243.9","0.2","299","2","299","2","","","","","","","","5","P 43","P 4cw","78","","<i>N</i>-(3-Chlorophenyl)-2-methylbenzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","OM2228","Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut","<i>N</i>-(3-Chlorophenyl)-2-methylbenzamide","Acta Crystallographica Section E","2008","64","5","o861","","10.1107/S1600536808010143","","","1.5418","CuKα","","0.0552","0.0424","","","0.1105","0.1202","","","","","","1.069","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218486","10.8251","0.0008","10.8251","0.0008","9.4569","0.0014","90","","90","","90","","1108.2","0.2","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C44 H64 N8 O8 -","4","1","OM2218","Zhao, Qing-Jie; Liu, Zheng; Zheng, Jin; Shen, Jing-Shan","4-Acetyl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-benzodiazepine","Acta Crystallographica Section E","2008","64","6","o969","","10.1107/S1600536808007927","","","0.71073","MoKα","","0.0376","0.0352","","","0.096","0.0983","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2224601","9.4691","0.0011","9.4691","0.0011","13.8514","0.0015","90","","90","","90","","1242","0.2","298","2","298","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","CV2665","Ju, Xiuping; Qiao, Yan; Gao, Zhiqing; Kong, Lingqian","<i>N</i>'-Cyclohexylidenebenzohydrazide","Acta Crystallographica Section E","2010","66","1","o94","","10.1107/S1600536809052143","","","0.71073","MoKα","","0.0652","0.0382","","","0.0935","0.1139","","","","","","1.08","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225196","9.6163","0.0013","9.6163","0.0013","17.442","0.003","90","","90","","90","","1612.9","0.4","298","2","298","2","","","","","","","","4","P 43","P 4cw","78","","<i>N</i>'-(2-Methoxy-1-naphthylidene)nicotinohydrazide","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","CI5027","Li, Cong; Wang, Ping; Su, Yong-Qing","<i>N</i>'-(2-Methoxy-1-naphthylidene)nicotinohydrazide","Acta Crystallographica Section E","2010","66","3","o520","","10.1107/S1600536810003843","","","0.71073","MoKα","","0.0599","0.038","","","0.0865","0.0992","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225197","9.3264","0.0013","9.3264","0.0013","15.594","0.003","90","","90","","90","","1356.4","0.4","298","2","298","2","","","","","","","","4","P 43","P 4cw","78","","<i>N</i>'-(2-Methoxybenzylidene)nicotinohydrazide","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","CI5028","Wang, Ping; Li, Cong; Su, Yong-Qing","<i>N</i>'-(2-Methoxybenzylidene)nicotinohydrazide","Acta Crystallographica Section E","2010","66","3","o542","","10.1107/S1600536810003831","","","0.71073","MoKα","","0.0434","0.0349","","","0.0792","0.0844","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225582","8.8037","0.0012","8.8037","0.0012","14.67","0.003","90","","90","","90","","1137","0.3","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","<i>N</i>'-[(5-Methyl-2-furyl)methylene]thiophene-2-carbohydrazide","","- C11 H10 N2 O2 S -","- C11 H10 N2 O2 S -","- C44 H40 N8 O8 S4 -","4","1","HB5367","Jiang, Jin-He","<i>N</i>'-[(5-Methyl-2-furyl)methylene]thiophene-2-carbohydrazide","Acta Crystallographica Section E","2010","66","4","o924","","10.1107/S1600536810010810","","","0.71073","MoKα","","0.0486","0.0368","","","0.0814","0.0868","","","","","","0.962","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226053","7.94","0.0005","7.94","0.0005","15.288","0.002","90","","90","","90","","963.81","0.15","299","2","299","2","","","","","","","","5","P 43","P 4cw","78","","<i>N</i>-(Phenylsulfonyl)acetamide","","- C8 H9 N O3 S -","- C8 H9 N O3 S -","- C32 H36 N4 O12 S4 -","4","1","BT5256","Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Fuess, Hartmut","<i>N</i>-(Phenylsulfonyl)acetamide","Acta Crystallographica Section E","2010","66","6","o1284","","10.1107/S1600536810015849","","","0.71073","MoKα","","0.0644","0.0506","","","0.0919","0.0997","","","","","","1.3","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226430","12.8697","0.0016","12.8697","0.0016","21.768","0.002","90","","90","","90","","3605.4","0.7","100","2","100","","","","","","","","","3","P 43","P 4cw","78","","(1<i>R</i>,4a<i>R</i>,7<i>S</i>,8a<i>S</i>,10a<i>S</i>)-1,4a,7-trimethyl-7- vinyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","FJ2300","Suwancharoen, Sunisa; Tommeurd, Wantanee; Phurat, Chuttree; Muangsin, Nongnuj; Pornpakakul, Surachai","Acanthoic acid","Acta Crystallographica Section E","2010","66","7","o1531","","10.1107/S1600536810019483","","","0.71073","MoKα","","","0.0561","","","","0.1575","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227996","6.8531","0.0012","6.8531","0.0012","17.372","0.003","90","","90","","90","","815.9","0.2","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","","4-Oxocyclohexaneacetic acid","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","SJ5037","Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","4-Oxocyclohexaneacetic acid: catemeric hydrogen bonding and spontaneous resolution of a single conformational enantiomer in an achiral ε-keto acid","Acta Crystallographica Section E","2010","66","10","o2576","o2577","10.1107/S1600536810036652","","","1.54178","CuKα","","0.042","0.039","","","0.108","0.113","","","","","","1.18","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229967","12.2833","0.0016","12.2833","0.0016","14.002","0.004","90","","90","","90","","2112.6","0.7","273","2","273","2","","","","","","","","6","P 43","P 4cw","78","","2-Bromo-<i>N</i>-(dibenzylcarbamothioyl)benzamide","","- C22 H19 Br N2 O S -","- C22 H19 Br N2 O S -","- C88 H76 Br4 N8 O4 S4 -","4","1","DN2677","Nasir, Mohd Faizal Md; Hassan, Ibrahim N.; Wan Daud, Wan Ramli; Yamin, Bohari M.; Kassim, Mohammad B.","2-Bromo-<i>N</i>-(dibenzylcarbamothioyl)benzamide","Acta Crystallographica Section E","2011","67","5","o1218","","10.1107/S1600536811014711","","","0.71073","MoKα","","0.128","0.0498","","","0.0992","0.1184","","","","","","0.933","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2230158","7.9804","0.0005","7.9804","0.0005","16.749","0.001","90","","90","","90","","1066.69","0.11","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","<i>N</i>-(2-Methylphenylsulfonyl)acetamide","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C36 H44 N4 O12 S4 -","4","1","TK2737","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Methylphenylsulfonyl)acetamide","Acta Crystallographica Section E","2011","67","5","o1188","","10.1107/S1600536811014218","","","0.71073","MoKα","","0.0467","0.0353","","","0.0802","0.0857","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233073","14.232","0.003","14.232","0.003","17.615","0.004","90","","90","","90","","3567.9","1.3","298","2","298","2","","","","","","","","4","P 43","P 4cw","78","","20,23,26,29,32,35,38,41-octaoxa-5,9,13- triazapentacyclo[15.14.10.1^3,30^.1^7,11^.1^15,19^]tetratetraconta- 1,3(42),7,9,11(44),15(43),16,18,30-nonaene-6,12-dione acetone monosolvate","","- C36 H45 N3 O11 -","- C36 H45 N3 O11 -","- C144 H180 N12 O44 -","4","1","AA2033","Pan, Shaowu; Yang, Dengke; Yang, Yu; Jiang, Lasheng","20,23,26,29,32,35,38,41-Octaoxa-5,9,13-triazapentacyclo[15.14.10.1^3,30^.1^7,11^.1^15,19^]tetratetraconta-1,3(42),7,9,11(44),15(43),16,18,30-nonaene-6,12-dione acetone monosolvate","Acta Crystallographica Section E","2012","68","1","o107","","10.1107/S1600536811051877","","","0.71073","MoKα","","0.104","0.0557","","","0.1409","0.1721","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233280","18.1345","0.0006","18.1345","0.0006","17.1405","0.0011","90","","90","","90","","5636.8","0.4","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","3,3'-Bis(quinolin-8-yl)-1,1'-[4,4'-methylenebis(4,1-phenylene)]diurea","","- C33 H26 N6 O2 -","- C33 H26 N6 O2 -","- C264 H208 N48 O16 -","8","2","RK2320","Pramanik, Avijit; Russ, Tiffany H.; Powell, Douglas R.; Hossain, Md. Alamgir","3,3'-Bis(quinolin-8-yl)-1,1'-[4,4'-methylenebis(4,1-phenylene)]diurea","Acta Crystallographica Section E","2012","68","1","o158","o159","10.1107/S1600536811053220","","","0.71073","MoKα","","0.065","0.046","","","0.096","0.104","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233998","8.8751","0.0003","8.8751","0.0003","15.9642","0.0005","90","","90","","90","","1257.46","0.07","295","2","295","2","","","","","","","","5","P 43","P 4cw","78","","2-Chloro-<i>N</i>-(3-methylphenyl)benzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","SJ5196","Rodrigues, Vinola Z.; Gowda, B. Thimme; Vrábel, Viktor; Kožíšek, Jozef","2-Chloro-<i>N</i>-(3-methylphenyl)benzamide","Acta Crystallographica Section E","2012","68","3","o723","","10.1107/S1600536812005739","","","0.71073","MoKα","","0.0528","0.0306","","","0.0663","0.0694","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237008","10.2785","0.0003","10.2785","0.0003","15.2899","0.0006","90","","90","","90","","1615.34","0.09","173","2","173","2","","","","","","","","5","P 43","P 4cw","78","","3-(4-Bromophenylsulfonyl)-5-ethyl-2-methyl-1-benzofuran","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","RN2111","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfonyl)-5-ethyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","12","o3487","","10.1107/S1600536812048313","","","0.71073","MoKα","","0.0469","0.0342","","","0.0633","0.0666","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2238938","7.1089","0.0001","7.1089","0.0001","25.616","0.0004","90","","90","","90","","1294.54","0.03","296","2","296","2","","","","","","","","3","P 43","P 4cw","78","Sr2As2O7","Strontium diarsenate","","- As2 O7 Sr2 -","- As2 O7 Sr2 -","- As16 O56 Sr16 -","8","2","WM2770","Mbarek, Aicha; Edhokkar, Fadhila","The <i>P</i>4~3~ enantiomorph of Sr~2~As~2~O~7~","Acta Crystallographica Section E","2013","69","12","i84","","10.1107/S1600536813031619","","","0.71073","MoKα","","0.0254","0.0218","","","0.0427","0.0437","","","","","","1.014","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2242011","11.2463","0.0007","11.2463","0.0007","33.938","0.002","90","","90","","90","","4292.5","0.5","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","Bis{(<i>S</i>)-1-[2-(diphenylphosphanyl)ferrocenyl]-(<i>R</i>)-ethyl}ammonium bromide dichloromethane monosolvate","","- C49 H48 Br Cl2 Fe2 N P2 -","- C49 H48 Br Cl2 Fe2 N P2 -","- C196 H192 Br4 Cl8 Fe8 N4 P8 -","4","1","","Zirakzadeh, Afrooz; Stöger, Berthold; Kirchner, Karl","Crystal structure of bis{(<i>S</i>)-1-[2-(diphenylphosphanyl)ferrocenyl]-(<i>R</i>)-ethyl}ammonium bromide dichloromethane monosolvate","Acta Crystallographica Section E","2017","73","2","152","154","10.1107/S2056989016020417","","","0.71073","MoKα","","0.0433","0.0324","","","0.0597","0.0625","","","","","","0.981","","","","has coordinates,has Fobs","190479","2020-10-21","18:00:00",""
"2311451","10.1437","0.0008","10.1437","0.0008","21.4664","0.0015","90","","90","","90","","2208.8","0.3","296","2","296.15","","","","","","","","","6","P 43","P 4cw","78","","Poly[diaquabis(μ~5~-benzene-1,3-dicarboxylato)(<i>N</i>,<i>N</i>-dimethylformamide)cadmium(II)disodium(I)]","","- C19 H19 Cd N Na2 O11 -","- C19 H19 Cd N Na2 O11 -","- C76 H76 Cd4 N4 Na8 O44 -","4","1","PJ2046","Sangsawang, Matimon; Chainok, Kittipong; Wannarit, Nanthawat","Crystal structure of poly[di-aqua-bis-(μ<sub>5</sub>-benzene-1,3-di-carboxyl-ato)(<i>N</i>,<i>N</i>-di-methyl-formamide)-cadmium(II)disodium(I)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1599","1602","10.1107/S2056989017013871","","","0.71073","MoKα","","0.0321","0.0277","","","0.0661","0.0677","","","","","","1.031","","","","has coordinates,has disorder","245894","2020-10-21","18:00:00",""
"4000874","10.4278","0.0004","10.4278","0.0004","14.2602","0.0012","90","","90","","90","","1550.64","0.16","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","Nd(C6H3(CO2)3)(H2O)","","","- C9 H3 Nd O7 -","- C9 H3 Nd O7 -","- C36 H12 Nd4 O28 -","4","1","","Gustafsson, Mikaela; Bartoszewicz, Agnieszka; Martín-Matute, Belén; Sun, Junliang; Grins, Jekabs; Zhao, Tony; Li, Zhongyue; Zhu, Guangshan; Zou, Xiaodong","A Family of Highly Stable Lanthanide Metal−Organic Frameworks: Structural Evolution and Catalytic Activity","Chemistry of Materials","2010","22","11","3316","","10.1021/cm100503q","","","0.71073","MoKα","","0.0314","0.0282","","","0.0564","0.0572","","","","","","0.956","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002638","3.9245","","3.9245","","15.26","","90","","90","","90","","235.03","","","","","","","","","","","","","3","P 43","P 4cw","78","","Ce Rh C2","","- C2 Ce Rh -","- C2 Ce Rh -","- C8 Ce4 Rh4 -","4","1","","Hoffmann, R.D.; Jeitschko, W.; Boonk, L.","Structural, chemical, and physical properties of rare-earth metal rhodium carbides Ln Rh C2 (Ln= La, Ce, Pr, Nd, Sm)","Chemistry of Materials (1,1989-)","1989","1","","580","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4023199","10.555","0.004","10.555","","14.647","0.009","90","","90","","90","","1631.8","1.2","295","2","295","2","","","","","","","","5","P 43","P 4cw","78","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C72 H64 Br4 N4 O8 -","4","1","","Deju Shang; Junguo Xin; Yanling Liu; Xin Zhou; Xiaohua Liu; Xiaoming Feng","Enantioselective Aza-Diels-Alder Reaction of Aldimines with ""Danishefsky-Type Diene"" Catalyzed by Chiral Scandium(III)-N,N'-Dioxide Complexes","Journal of Organic Chemistry","2008","73","","630","637","10.1021/jo7021263","","","0.71073","MoKα","","0.1165","0.0378","","","0.0752","0.0918","","","","","","0.929","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024145","10.5308","0.0005","10.5308","0.0005","35.165","0.002","90","","90","","90","","3899.7","0.4","293","2","293","2","","","","","","","","7","P 43","P 4cw","78","","","","- C39 H34 Cl4 Fe O4 P2 Pd -","- C39 H34 Cl4 Fe O4 P2 Pd -","- C156 H136 Cl16 Fe4 O16 P8 Pd4 -","4","1","","Delong Liu; Fang Xie; Wanbin Zhang","Novel C~2~-Symmetric Planar Chiral Diphosphine Ligands and Their Application in Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2007","72","","6992","6997","10.1021/jo0711440","","","0.71073","MoKα","","0.06","0.0468","","","0.1021","0.1161","","","","","","0.915","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4025338","12.7478","0.0003","12.7478","0.0003","10.8174","0.0003","90","","90","","90","","1757.9","0.08","193","2","193","2","","","","","","","","6","P 43","P 4cw","78","","","","- C17 H20 Br N O2 S -","- C17 H20 Br N O2 S -","- C68 H80 Br4 N4 O8 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0723","0.0508","","","0.1208","0.1361","","","","","","0.998","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025661","10.00645","0.00018","10.00645","0.00018","13.4991","0.0003","90","","90","","90","","1351.65","0.05","173.1","","","","","","","","","","","4","P 43","P 4cw","78","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0404","","","","0.1002","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026275","8.2499","0.0009","8.2499","0.0009","42.596","0.01","90","","90","","90","","2899.1","0.8","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C128 H200 N8 O16 -","8","2","","Yu-Rong Yang; Liang Shen; Jiu-Zhong Huang; Tao Xu; Kun Wei","Application of the Helquist Annulation in Lycopodium Alkaloid Synthesis: Unified Total Syntheses of (-)-8-Deoxyserratinine, (+)-Fawcettimine, and (+)-Lycoflexine","Journal of Organic Chemistry","2011","76","","3684","3690","10.1021/jo1023188","","","0.71073","MoKα","","0.2421","0.0703","","","0.1091","0.1577","","","","","","0.914","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026295","11.7955","0.0017","11.7955","0.0017","28.477","0.004","90","","90","","90","","3962.1","1","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","2","","Marwan W. Ghosn; Christian Wolf","Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes","Journal of Organic Chemistry","2011","76","","3888","3897","10.1021/jo200309g","","","0.71073","MoKα","","0.0921","0.0511","","","0.1041","0.1144","","","","","","1.013","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026555","17.235","0.002","17.235","0.002","12.72","0.003","90","","90","","90","","3778.4","1.1","100","","100","","","","","","","","methanol/dichloromethane","6","P 43","P 4cw","78","","trimethylsilyl-ethynyl-2,6-pyridyl-amido-(R)-1-ethyl-1,5-(1,2,3-triazolyl)- 2,6-pyridyl-amido-(R)-1-ethyl-1,5-(1,2,3-triazolyl)-2,6-pyridyl-amido-(S)- 1-ethyl-methyl-sulfonate","","- C34 H38 N12 O6 S Si -","- C34 H38 N12 O6 S Si -","- C136 H152 N48 O24 S4 Si4 -","4","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","0.71073","Mo-Kα","","0.0388","0.0328","","","0.0781","0.0823","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026627","9.7389","0.0002","9.7389","0.0002","20.8131","0.0003","90","","90","","90","","1974.04","0.06","291","2","291","2","","","","","","","","4","P 43","P 4cw","78","","","","- C25 H22 O S -","- C25 H22 O S -","- C100 H88 O4 S4 -","4","1","","Zhen-Tao Weng; Yuan Li; Shi-Kai Tian","Catalytic Asymmetric α-Alkylation of Ketones and Aldehydes with N-Benzylic Sulfonamides through Carbon-Nitrogen Bond Cleavage","Journal of Organic Chemistry","2011","76","","8095","8099","10.1021/jo2014142","","","0.71073","MoKα","","0.0472","0.0367","","","0.071","0.0749","","","","","","1.071","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026940","8.0546","0.0007","8.0546","0.0007","32.476","0.003","90","","90","","90","","2106.9","0.3","173","2","173","2","","","","","","","","3","P 43","P 4cw","78","","","","- C27 H24 O4 -","- C27 H24 O4 -","- C108 H96 O16 -","4","1","","Hong-Xia Xu; Su-Fang Cheng; Xiu-Jie Yang; Bin Chen; Yue Chen; Li-Ping Zhang; Li-Zhu Wu; Weihai Fang; Chen-Ho Tung; Richard G. Weiss","Enhancement of Diastereoselectivity in Photodimerization of Alkyl 2-Naphthoates with Chiral Auxiliaries via Inclusion within γ-Cyclodextrin Cavities","Journal of Organic Chemistry","2012","77","","1685","1692","10.1021/jo2020328","","","1.54186","CuKα","","0.0444","0.0391","","","0.09","0.0993","","","","","","1.1","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4028706","13.3203","0.0003","13.3203","0.0003","18.4658","0.0003","90","","90","","90","","3276.39","0.12","173","2","173","2","","","","","","","","3","P 43","P 4cw","78","","","","- C34 H36 O10 -","- C34 H36 O10 -","- C136 H144 O40 -","4","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.08","0.0606","","","0.1585","0.1727","","","","","","1.021","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028879","10.532","0.003","10.532","0.003","44.888","0.012","90","","90","","90","","4979","2","153","2","153","2","","","","","","","","5","P 43","P 4cw","78","","","","- C28 H24 F6 N4 O2 -","- C28 H24 F6 N4 O2 -","- C224 H192 F48 N32 O16 -","8","2","","Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu","Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol","Journal of Organic Chemistry","2013","78","","12671","12680","10.1021/jo402277p","","","0.71073","MoKα","","0.0913","0.0891","","","0.2127","0.2137","","","","","","1.189","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028928","7.9423","0.0019","7.9423","0.0019","16.974","0.009","90","","90","","90","","1070.7","0.7","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C40 H48 N8 O12 -","4","1","","Fowler, Sarah A.; Luechapanichkul, Rinrada; Blackwell, Helen E.","Synthesis and Characterization of Nitroaromatic Peptoids: Fine Tuning Peptoid Secondary Structure through Monomer Position and Functionality","The Journal of Organic Chemistry","2009","74","4","1440","1449","10.1021/jo8023363","","","0.71073","Mo-Kα","","0.0845","0.0388","","","0.0737","0.0892","","","","","","0.791","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029154","21.074","0.003","21.074","0.003","4.5777","0.0009","90","","90","","90","","2033","0.6","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H18 Cl F N12 -","- C20 H18 Cl F N12 -","- C80 H72 Cl4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.085","0.0799","","","0.1595","0.1657","","","","","","1.177","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4031958","9.6634","0.0005","9.6634","0.0005","14.0625","0.001","90","","90","","90","","1313.17","0.13","200","2","200","2","","","","","","","","3","P 43","P 4cw","78","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Quinodoz, Pierre; Drouillat, Bruno; Wright, Karen; Marrot, Jérôme; Couty, François","N-Arylazetidines: Preparation through Anionic Ring Closure.","The Journal of organic chemistry","2016","81","7","2899","2910","10.1021/acs.joc.6b00169","","","0.71073","MoKα","","0.0368","0.0329","","","0.0791","0.0818","","","","","","1.114","","","","has coordinates","181361","2020-10-21","18:00:00",""
"4033214","12.0103","0.0008","12.0103","0.0008","43.759","0.003","90","","90","","90","","6312.1","0.7","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C40 H31 Cl N2 O2 -","- C40 H31 Cl N2 O2 -","- C320 H248 Cl8 N16 O16 -","8","2","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2475","0.168","","","0.4082","0.4526","","","","","","1.092","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4034130","13.5362","0.0011","13.5362","0.0011","10.578","0.0009","90","","90","","90","","1938.2","0.3","298","2","298","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H27 O P -","- C22 H27 O P -","- C88 H108 O4 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.078","0.0494","","","0.1312","0.1537","","","","","","1.051","","","","has coordinates","222688","2020-10-21","18:00:00",""
"4034499","11.4607","0.0002","11.4607","0.0002","12.8304","0.0003","90","","90","","90","","1685.24","0.06","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C18 H18 N O P S -","- C18 H18 N O P S -","- C72 H72 N4 O4 P4 S4 -","4","1","","Seo, Chris S. G.; Tannoux, Thibault; Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Enantioselective Hydrogenation of Activated Aryl Imines Catalyzed by an Iron(II) P-NH-P' Complex.","The Journal of organic chemistry","2019","84","18","12040","12049","10.1021/acs.joc.9b01964","","","1.54178","CuKα","","0.0284","0.0263","","","0.0661","0.0676","","","","","","1.044","","","","has coordinates","223005","2020-10-21","18:00:00",""
"4036723","13.811","0.003","13.811","0.003","20.076","0.004","90","","90","","90","","3829.4","1.4","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","","","- C37 H36 Br2 Cl3 D N4 O4 -","- C37 H36 Br2 Cl3 D N4 O4 -","- C148 H144 Br8 Cl12 D4 N16 O16 -","4","1","","Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin","Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy.","Organic chemistry frontiers : an international journal of organic chemistry","2016","3","12","1716","1724","10.1039/C6QO00521G","","","0.71073","MoKα","","0.0397","0.0317","","","0.0679","0.0706","","","","","","1.027","","","","has coordinates","235132","2020-10-21","18:00:00",""
"4037955","8.7367","0.0004","8.7367","0.0004","56.083","0.004","90","","90","","90","","4280.8","0.4","170","2","170","","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H17 Br N2 O4 S -","- C24 H17 Br N2 O4 S -","- C192 H136 Br8 N16 O32 S8 -","8","2","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","1.34139","GaKα","","0.0891","0.0839","","","0.2309","0.2347","","","","","","1.08","","","","has coordinates","248389","2020-10-21","18:00:00",""
"4064229","26.152","0.015","26.152","","12.237","0.007","90","","90","","90","","8369","7","133","2","133","2","","","","","","","","6","P 43","P 4cw","78","","","","- C47 H30 Au Cl F12 N2 -","- C47 H30 Au Cl F12 N2 -","- C376 H240 Au8 Cl8 F96 N16 -","8","2","","Wilckens, Kristina; Lentz, Dieter; Czekelius, Constantin","Synthesis of Gold Complexes Bearing Sterically Highly Encumbered, Chiral Carbene Ligands","Organometallics","2011","30","6","1287","","10.1021/om101192k","","","0.71073","MoKα","","0.0852","0.0705","","","0.1639","0.1692","","","","","","1.216","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4067885","13.5261","0.0003","13.5261","0.0003","21.1284","0.001","90","","90","","90","","3865.6","0.2","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C40 H56 Al N5 O3 -","- C36 H46 Al N5 O2 -","- C144 H184 Al4 N20 O8 -","4","1","","Tai, Chia-Cheng; Chang, Ya-Ting; Tsai, Jie-Hong; Jurca, Titel; Yap, Glenn P. A.; Ong, Tiow-Gan","Subtle Reactivities of Boron and Aluminum Complexes with Amino-Linked N-Heterocyclic Carbene Ligation","Organometallics","2012","31","2","637","","10.1021/om200878e","","","0.71073","MoKα","","0.1804","0.0964","","","0.2139","0.2368","","","","","","1.07","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4072496","12.8693","0.0003","12.8693","0.0003","14.655","0.0008","90","","90","","90","","2427.14","0.15","260","2","260","2","","","","","","","","6","P 43","P 4cw","78","","","","- C26 H20 Au F N3 P -","- C26 H20 Au F N3 P -","- C104 H80 Au4 F4 N12 P4 -","4","1","","Partyka, David V.; Updegraff, James B.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Carbon−Gold Bond Formation through [3 + 2] Cycloaddition Reactions of Gold(I) Azides and Terminal Alkynes","Organometallics","2007","26","1","183","","10.1021/om0607200","","","0.71073","MoKα","","0.0253","0.0225","","","0.0529","0.0541","","","","","","1.075","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072497","13.0753","0.0008","13.0753","0.0008","13.0705","0.0012","90","","90","","90","","2234.6","0.3","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C24 H25 Au N3 P -","- C24 H25 Au N3 P -","- C96 H100 Au4 N12 P4 -","4","1","","Partyka, David V.; Updegraff, James B.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Carbon−Gold Bond Formation through [3 + 2] Cycloaddition Reactions of Gold(I) Azides and Terminal Alkynes","Organometallics","2007","26","1","183","","10.1021/om0607200","","","0.71073","MoKα","","0.0653","0.0382","","","0.0713","0.0757","","","","","","0.827","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072498","13.7355","0.0005","13.7355","0.0005","12.5315","0.0009","90","","90","","90","","2364.2","0.2","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C27 H23 Au N3 P -","- C27 H23 Au N3 P -","- C108 H92 Au4 N12 P4 -","4","1","","Partyka, David V.; Updegraff, James B.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Carbon−Gold Bond Formation through [3 + 2] Cycloaddition Reactions of Gold(I) Azides and Terminal Alkynes","Organometallics","2007","26","1","183","","10.1021/om0607200","","","0.71073","MoKα","","0.0334","0.0321","","","0.0805","0.0815","","","","","","1.144","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4074594","10.6441","0.0007","10.6441","0.0007","18.9672","0.0019","90","","90","","90","","2148.9","0.3","173","2","173","2","","","","","","","","5","P 43","P 4cw","78","","","","- C19 H31 Cl P2 Pt -","- C19 H31 Cl P2 Pt -","- C76 H124 Cl4 P8 Pt4 -","4","1","","Scriban, Corina; Wicht, Denyce K.; Glueck, David S.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.","Platinum(II) Phosphido Complexes as Metalloligands. Structural and Spectroscopic Consequences of Conversion from Terminal to Bridging Coordination","Organometallics","2006","25","14","3370","","10.1021/om050149p","","","0.71073","MoKα","","0.0819","0.0804","","","0.1925","0.1935","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074957","11.2311","0.0011","11.2311","0.0011","19.104","0.002","90","","90","","90","","2409.7","0.4","120","2","120","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H24 B10 N4 -","- C22 H24 B10 N4 -","- C88 H96 B40 N16 -","4","1","","Prokhorov, Anton M.; Kozhevnikov, Dmitry N.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Carborane-Functionalized Polyaza Aromatic Ligands: Synthesis, Crystal Structure, and a Copper(II) Complex","Organometallics","2006","25","12","2972","","10.1021/om051058v","","","0.71073","MoKα","","0.0556","0.0487","","","0.0915","0.094","","","","","","0.988","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4076815","16.1617","0.0008","16.1617","0.0008","14.0998","0.0008","90","","90","","90","","3682.9","0.3","193","2","193","2","","","","","","","","3","P 43","P 4cw","78","","","","- C32 H66 Ga6 -","- C32 H66 Ga6 -","- C128 H264 Ga24 -","4","1","","Uhl, Werner; Cuypers, Lars; Neumüller, Bernhard; Weller, Frank","Hydrogallation of Alkynes: Syntheses of Carbon−Gallium Cages Possessing Heteroadamantane Structures","Organometallics","2002","21","12","2365","","10.1021/om020072u","","","0.71073","MoKα","","0.0308","0.0261","","","0.0533","0.0541","","","","","","1.086","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4080500","10.4257","0.0003","10.4257","0.0003","30.5083","0.0009","90","","90","","90","","3316.11","0.17","173","2","173","2","","","","","","","","7","P 43","P 4cw","78","","","","- C34 H36 F6 Fe4 N2 O2 P -","- C34 H36 F6 Fe4 N2 O2 P -","- C136 H144 F24 Fe16 N8 O8 P4 -","4","1","","Okazaki, Masaaki; Taniwaki, Wataru; Miyagi, Kazuki; Takano, Masato; Kaneko, Satoshi; Ozawa, Fumiyuki","Lewis Acid Chemistry of a Cationic [CCH] Subunit in a Bisdisphenoidal Eight-Atom Tetrairon‒Tetracarbon Cluster","Organometallics","2013","32","6","1951","","10.1021/om400035q","","x-ray","0.71075","MoKα","","0.0285","0.0259","","","0.0625","0.0638","","","","","","1.019","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4082033","11.8195","0.0017","11.8195","0.0017","30.481","0.009","90","","90","","90","","4258.2","1.5","100","2","100","2","","","","","","","","6","P 43","P 4cw","78","","","","- C45 H51 Cu F6 N2 P2 -","- C45 H51 Cu F6 N2 P2 -","- C180 H204 Cu4 F24 N8 P8 -","4","1","","Guo, Shuai; Lim, Miao Hui; Huynh, Han Vinh","Copper(I) Heteroleptic Bis(NHC) and Mixed NHC/Phosphine Complexes: Syntheses and Catalytic Activities in the One-Pot Sequential CuAAC Reaction of Aromatic Amines","Organometallics","2013","32","23","7225","","10.1021/om400911u","","","0.71073","MoKα","","0.1335","0.0975","","","0.1979","0.2113","","","","","","1.129","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4085899","13.4387","0.0001","13.4387","0.0001","14.6891","0.0002","90","","90","","90","","2652.83","0.05","200","2","200","2","","","","","","","","4","P 43","P 4cw","78","5a in manuscript","","","- C25 H46 N4 Pt -","- C25 H46 N4 Pt -","- C100 H184 N16 Pt4 -","4","1","","Brendel, Matthias; Engelke, René; Desai, Vidya G.; Rominger, Frank; Hofmann, Peter","Synthesis and Reactivity of Platinum(II)cis-Dialkyl,cis-Alkyl Chloro, andcis-Alkyl Hydrido Bis-N-heterocyclic Carbene Chelate Complexes","Organometallics","2015","34","12","2870","","10.1021/acs.organomet.5b00204","","","0.71073","MoKα","","0.0208","0.0169","","","0.0365","0.0377","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4087166","11.5751","0.0001","11.5751","0.0001","34.248","0.0005","90","","90","","90","","4588.65","0.09","173","2","173","2","","","","","","","","6","P 43","P 4cw","78","","","","- C53 H24 B F20 N Zr -","- C53 H24 B F20 N Zr -","- C212 H96 B4 F80 N4 Zr4 -","4","1","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0343","0.0338","","","0.081","0.0814","","","","","","1.069","","","","has coordinates","194105","2020-10-21","18:00:00",""
"4101207","11.286","0.001","11.286","0.001","27.256","0.002","90","","90","","90","","3471.7","0.5","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C34 H50 N2 O3 S Si -","- C34 H50 N2 O3 S Si -","- C136 H200 N8 O12 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4102257","13.024","0.003","13.024","0.003","16.759","0.004","90","","90","","90","","2842.7","1.1","100","2","100","2","","","","","","","","6","P 43","P 4cw","78","","","","- C30 H36 Cl2 N2 O2 S2 -","- C30 H36 Cl2 N2 O2 S2 -","- C120 H144 Cl8 N8 O8 S8 -","4","1","","Robert R. Knowles; Song Lin; Eric N. Jacobsen","Enantioselective Thiourea-Catalyzed Cationic Polycyclizations","Journal of the American Chemical Society","2010","132","","5030","5032","10.1021/ja101256v","","","0.71073","MoKα","","0.0417","0.0343","","","0.0771","0.0809","","","","","","1.036","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4108067","10.801","0.002","10.801","0.0014","24.033","0.002","90","","90","","90","","2803.7","0.7","95","2","95","2","","","","","","","","6","P 43","P 4cw","78","","(iPr2Im)2(F)(C6F5)Ni(II)","","- C24 H34 F6 N4 Ni O -","- C24 H34 F6 N4 Ni O -","- C96 H136 F24 N16 Ni4 O4 -","4","1","","Thomas Schaub; Peter Fischer; Andreas Steffen; Thomas Braun; Udo Radius; Andreas Mix","C-F Activation of Fluorinated Arenes using NHC-Stabilized Nickel(0) Complexes: Selectivity and Mechanistic Investigations","Journal of the American Chemical Society","2008","130","","9304","9317","10.1021/ja074640e","","","0.71073","MoKα","","0.0514","0.0357","","","0.065","0.0701","","","","","","1.059","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108202","6.3993","0.0009","6.3993","0.0009","36.513","0.007","90","","90","","90","","1495.2","0.4","296","2","296","2","","","","","","","","3","P 43","P 4cw","78","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.0886","0.0702","","","0.1456","0.153","","","","","","1.244","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108367","10.476","0.0002","10.476","0.0002","27.2433","0.0011","90","","90","","90","","2989.86","0.15","193","2","193","2","","","","","","","","6","P 43","P 4cw","78","","","","- C26 H52 N2 O3 S2 W -","- C26 H52 N2 O3 S2 W -","- C104 H208 N8 O12 S8 W4 -","4","1","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.0211","0.0193","","","0.0437","0.0444","","","","","","0.967","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108895","7.943","","7.943","","12.8125","0.0002","90","","90","","90","","808.357","0.013","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C4 H10 Mg O8 -","- C4 H10 Mg O8 -","- C16 H40 Mg4 O32 -","4","1","","Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu","Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials","Journal of the American Chemical Society","2008","130","","17246","17247","10.1021/ja8075692","","","0.71073","MoKα","","0.0465","0.046","","","0.1261","0.1271","","","","","","1.023","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4109431","8.1373","0.0002","8.1373","0.0002","13.013","0.0004","90","","90","","90","","861.66","0.04","294","","294","","","","","","","","","5","P 43","P 4cw","78","","","","- C8 H6 Cl N O3 -","- C8 H6 Cl N O3 -","- C32 H24 Cl4 N4 O12 -","4","1","","Yi Wang; Hongming Li; Yong-Qiang Wang; Yan Liu; Bruce M. Foxman; Li Deng","Asymmetric Diels-Alder Reactions of 2-Pyrones with a Bifunctional Organic Catalyst","Journal of the American Chemical Society","2007","129","","6364","6365","10.1021/ja070859h","","","0.71073","MoKα","","0.0315","0.029","","0.072","0.0712","0.072","","","","","","0.8536","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109510","11.4707","0.0005","11.4707","0.0005","19.7124","0.0018","90","","90","","90","","2593.7","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 43","P 4cw","78","","","","- C28 H29 Cl2 N O4 -","- C28 H29 Cl2 N O4 -","- C112 H116 Cl8 N4 O16 -","4","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","0.7107","MoKα","","0.056","0.0427","","","0.0828","0.0872","","","","","","1.039","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4110451","8.937","0.0013","8.937","0.0013","40.324","0.008","90","","90","","90","","3220.7","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 N10 S4 Zn -","- C32 H16 N10 S4 Zn -","- C128 H64 N40 S16 Zn4 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0646","0.0402","","","0.0897","0.1048","","","","","","1.017","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110454","8.966","0.0013","8.966","0.0013","39.873","0.008","90","","90","","90","","3205.4","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Cu N10 S4 -","- C32 H16 Cu N10 S4 -","- C128 H64 Cu4 N40 S16 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0857","0.0473","","","0.0984","0.1153","","","","","","1.04","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110455","8.8643","0.0013","8.8643","0.0013","40.515","0.008","90","","90","","90","","3183.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 N10 Ni S4 -","- C32 H16 N10 Ni S4 -","- C128 H64 N40 Ni4 S16 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.1746","0.1171","","","0.3274","0.3478","","","","","","2.193","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110456","8.898","0.0013","8.898","0.0013","40.385","0.008","90","","90","","90","","3197.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Co N10 S4 -","- C32 H16 Co N10 S4 -","- C128 H64 Co4 N40 S16 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0384","0.0312","","","0.0819","0.0875","","","","","","1.076","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110457","8.917","0.0013","8.917","0.0013","40.516","0.008","90","","90","","90","","3221.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Fe N10 S4 -","- C32 H16 Fe N10 S4 -","- C128 H64 Fe4 N40 S16 -","4","1","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.1688","0.0787","","","0.1776","0.2214","","","","","","1.056","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4111278","10.542","0.0001","10.542","0.0001","22.5021","0.0004","90","","90","","90","","2500.74","0.06","153","2","153","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H31 N3 O9 -","- C22 H31 N3 O9 -","- C88 H124 N12 O36 -","4","1","","Cheol-Kyu Jung; Michael J. Krische","Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding","Journal of the American Chemical Society","2006","128","","17051","17056","10.1021/ja066198q","","","0.71073","MoKα","","0.0469","0.0339","","","0.0693","0.0746","","","","","","1.036","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111746","9.0707","0.0014","9.0707","0.0014","32.245","0.009","90","","90","","90","","2653","0.9","193","2","193","2","","","","","","","","4","P 43","P 4cw","78","","","","- C12.44 H16.89 N0.89 O1.78 -","- C12.4444 H16.8889 N0.888889 O1.77778 -","- C112 H152 N8 O16 -","9","2.25","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.2038","0.0383","","","0.0384","0.0709","","","","","","0.613","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111899","12.35","0.0009","12.35","0.0009","29.748","0.003","90","","90","","90","","4537.2","0.7","170","2","170","2","","","","","","","","5","P 43","P 4cw","78","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C28 H30 Br Cl6 S16 -","- C112 H120 Br4 Cl24 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","127","","12450","12451","10.1021/ja053488i","","","0.71073","MoKα","","0.0558","0.0497","","","0.141","0.1478","","","","","","1.038","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4112081","14.1334","0.0004","14.1334","0.0004","43.546","0.003","90","","90","","90","","8698.4","0.7","162.2","","","","","","","","","","","8","P 43","P 4cw","78","","","","- C78 H102 Cl6 F6 O14 P2 Pd S2 -","- C78 H102 Cl5.99 F6 O14 P2 Pd S2 -","- C312 H408 Cl23.96 F24 O56 P8 Pd4 S8 -","4","1","","Britton K. Corkey; F. Dean Toste","Catalytic Enantioselective Conia-Ene Reaction","Journal of the American Chemical Society","2005","127","","17168","17169","10.1021/ja055059q","","","0.7107","MoKα","","0.0699","0.033","","0.036","","0.0305","","","","","","0.87","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114966","15.794","0.0008","15.794","0.0008","15.1279","0.0012","90","","90","","90","","3773.7","0.4","183","2","183","2","","","","","","","","5","P 43","P 4cw","78","","","","- C15 H24 N2 O8 S -","- C15 H24 N2 O8 S -","- C120 H192 N16 O64 S8 -","8","2","","Peter Tremmel; Armin Geyer","An Oligomeric Ser-Pro Dipeptide Mimetic Assuming the Polyproline II Helix Conformation","Journal of the American Chemical Society","2002","124","","8548","8549","10.1021/ja026098u","","","0.71073","MoKα","","0.1468","0.0586","","","0.1033","0.1267","","","","","","1.009","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4117197","10.366","0.001","10.3659","","17.133","0.003","90","","90","","90","","1841","0.4","296.2","","296.2","","","","","","","","","4","P 43","P 4cw","78","","","","- C21 H23 N S -","- C21 H23 N S -","- C84 H92 N4 S4 -","4","1","","Masami Sakamoto; Masaki Takahashi; Kenji Kamiya; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Crystal-to-Crystal Solid-State Photochemistry: Absolute Asymmetric β-Thiolactam Synthesis from an Achiral α,β-Unsaturated Thioamide","Journal of the American Chemical Society","1996","118","","10664","10665","10.1021/ja961878m","","","1.5418","CuKα","","","0.0516","","","0.0706","","","","","2.754","2.754","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118112","9.5379","0.0015","9.5379","0.0015","32.918","0.003","90","","90","","90","","2994.6","0.7","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","","","- C30 H31 Cl F6 O4 -","- C30 H31 Cl F6 O4 -","- C120 H124 Cl4 F24 O16 -","4","1","","Kazutaka Shibatomi; Yoshinori Soga; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers","Journal of the American Chemical Society","2012","134","","9836","9839","10.1021/ja304806j","","x-ray","0.71069","MoKα","","0.1001","0.0424","","","0.1071","0.1307","","","","","","1.006","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4119678","10.0528","0.0001","10.0528","0.0001","28.2357","0.0004","90","","90","","90","","2853.47","0.06","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","Manganese(II) N4Py triflate","","","- C25 H21 F6 Mn N5 O6 S2 -","- C25 H21 F6 Mn N5 O6 S2 -","- C100 H84 F24 Mn4 N20 O24 S8 -","4","1","","Junying Chen; Yong-Min Lee; Katherine M. Davis; Xiujuan Wu; Mi Sook Seo; Kyung-Bin Cho; Heejung Yoon; Young Jun Park; Shunichi Fukuzumi; Yulia N. Pushkar; Wonwoo Nam","A Mononuclear Non-Heme Manganese(IV)-Oxo Complex Binding Redox-Inactive Metal Ions","Journal of the American Chemical Society","2013","135","","6388","6391","10.1021/ja312113p","","","0.71073","MoKα","","0.0557","0.0514","","","0.1296","0.1328","","","","","","1.04","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4120855","21.2359","0.0019","21.2359","0.0019","27.653","0.002","90","","90","","90","","12470.5","1.8","100","","100","","","","","","","","","6","P 43","P 4cw","78","","","","- C122 H144 Cl N31 Na O24.5 -","- C122 H144 Cl N31 Na O24.5 -","- C488 H576 Cl4 N124 Na4 O98 -","4","1","","Yuran Hua; Yun Liu; Chun-Hsing Chen; Amar H. Flood","Hydrophobic Collapse of Foldamer Capsules Drives Picomolar-Level Chloride Binding in Aqueous Acetonitrile Solutions","Journal of the American Chemical Society","2013","135","","14401","14412","10.1021/ja4074744","","","0.41328","Synchrotron","","0.1077","0.085","","0.2478","0.2238","0.2467","","","","","","0.9579","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121658","11.5311","0.0003","11.5311","0.0003","23.9069","0.0011","90","","90","","90","","3178.81","0.19","100","","100","","","","","","","","","4","P 43","P 4cw","78","","LEO-1312-035-F11-13","","- C29 H52 O5 Si2 -","- C29 H52 O5 Si2 -","- C116 H208 O20 Si8 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","x-ray","0.71073","MoKα","K-L~3~","0.0397","0.0331","","","0.074","0.0758","","","","","","1.086","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4122117","8.966","0.0013","8.966","0.0013","39.873","0.008","90","","90","","90","","3205.4","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Cu N10 S4 -","- C32 H16 Cu N10 S4 -","- C128 H64 Cu4 N40 S16 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0857","0.0473","","","0.0984","0.1153","","","","","","1.04","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122118","8.937","0.0013","8.937","0.0013","40.324","0.008","90","","90","","90","","3220.7","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 N10 S4 Zn -","- C32 H16 N10 S4 Zn -","- C128 H64 N40 S16 Zn4 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0646","0.0402","","","0.0897","0.1048","","","","","","1.017","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122119","8.917","0.0013","8.917","0.0013","40.516","0.008","90","","90","","90","","3221.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Fe N10 S4 -","- C32 H16 Fe N10 S4 -","- C128 H64 Fe4 N40 S16 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.1688","0.0787","","","0.1776","0.2214","","","","","","1.056","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122120","8.898","0.0013","8.898","0.0013","40.385","0.008","90","","90","","90","","3197.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 Co N10 S4 -","- C32 H16 Co N10 S4 -","- C128 H64 Co4 N40 S16 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0384","0.0312","","","0.0819","0.0875","","","","","","1.076","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122121","8.8643","0.0013","8.8643","0.0013","40.515","0.008","90","","90","","90","","3183.5","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H16 N10 Ni S4 -","- C32 H16 N10 Ni S4 -","- C128 H64 N40 Ni4 S16 -","4","1","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.1746","0.1171","","","0.3274","0.3478","","","","","","2.193","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122285","15.794","0.0008","15.794","0.0008","15.1279","0.0012","90","","90","","90","","3773.7","0.4","183","2","183","2","","","","","","","","5","P 43","P 4cw","78","","","","- C15 H24 N2 O8 S -","- C15 H24 N2 O8 S -","- C120 H192 N16 O64 S8 -","8","2","","Tremmel, Peter; Geyer, Armin","An Oligomeric Ser-Pro Dipeptide Mimetic Assuming the Polyproline II Helix Conformation","Journal of the American Chemical Society","2002","124","29","8548","","10.1021/ja026098u","","","0.71073","MoKα","","0.1468","0.0586","","","0.1033","0.1267","","","","","","1.009","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4123668","7.7371","0.0004","7.7371","0.0004","30.9059","0.0014","90","","90","","90","","1850.11","0.16","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","AM-I-17","sarpong56","","- C10 H16 O2 -","- C10 H16 O2 -","- C80 H128 O16 -","8","2","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.1146","0.0832","","","0.171","0.1907","","","","","","1.097","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4124818","10.7808","0.0003","10.7808","0.0003","16.1975","0.0005","90","","90","","90","","1882.56","0.09","200","2","200","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H18 Co F6 N0 P -","- C20 H18 Co F6 P -","- C80 H72 Co4 F24 P4 -","4","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.0194","0.0186","","","0.0454","0.0456","","","","","","1.033","","","","has coordinates","173452","2020-10-21","18:00:00",""
"4125536","13.407","0.002","13.407","0.002","24.102","0.004","90","","90","","90","","4332.3","1.2","133","2","133","2","","","","","","","","5","P 43","P 4cw","78","Ni(14-TMC)(NO3)2","","","- C16 H35 N7 Ni O6 -","- C16 H35 N7 Ni O6 -","- C128 H280 N56 Ni8 O48 -","8","2","","Derrick, Jeffrey S.; Lee, Jiwan; Lee, Shin Jung C.; Kim, Yujeong; Nam, Eunju; Tak, Hyeonwoo; Kang, Juhye; Lee, Misun; Kim, Sun Hee; Park, Kiyoung; Cho, Jaeheung; Lim, Mi Hee","Mechanistic Insights into Tunable Metal-Mediated Hydrolysis of Amyloid-β Peptides.","Journal of the American Chemical Society","2017","139","6","2234","2244","10.1021/jacs.6b09681","","","0.71073","MoKa","","0.1107","0.0587","","","0.1376","0.1649","","","","","","0.973","","","","has coordinates","193510","2020-10-21","18:00:00",""
"4128221","17.2175","0.0007","17.2175","0.0007","41.838","0.002","90","","90","","90","","12402.6","0.9","100","2","100.02","","","","","","","","","5","P 43","P 4cw","78","","","","- C40 H66 N2 O2 Zr -","- C40 H66 N2 O2 Zr -","- C480 H792 N24 O24 Zr12 -","12","3","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","0.71073","MoKα","","0.0897","0.0706","","","0.1616","0.1717","","","","","","1.086","","","","has coordinates","221350","2020-10-21","18:00:00",""
"4128308","7.0841","0.0001","7.0841","0.0001","41.0624","0.001","90","","90","","90","","2060.69","0.06","120","2","120","2","","","","","","","","4","P 43","P 4cw","78","","","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C96 H100 N4 O28 -","4","1","","Trost, Barry M.; Hung, Chao-I Joey; Jiao, Zhiwei","Enantioselective Divergent Syntheses of (+)-Bulleyanaline and Related Isoquinoline Alkaloids from the Genus <i>Corydalis</i>.","Journal of the American Chemical Society","2019","141","40","16085","16092","10.1021/jacs.9b08441","","","1.54178","CuKα","","0.0248","0.0247","","","0.0664","0.0666","","","","","","1.055","","","","has coordinates","221431","2020-10-21","18:00:00",""
"4129650","14.9108","0.0005","14.9108","0.0005","9.1435","0.0004","90","","90","","90","","2032.89","0.13","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H28 N2 O2 S Si -","- C20 H28 N2 O2 S Si -","- C80 H112 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.0443","0.037","","","0.0768","0.08","","","","","","1.394","","","","has coordinates,has disorder","240329","2020-10-21","18:00:00",""
"4131074","13.2715","0.0005","13.2715","0.0005","14.6258","0.0006","90","","90","","90","","2576.08","0.17","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","Co(p-F2-bdp)","","","- C12 H6 Co F2 N4 -","- C12 H6 Co F2 N4 -","- C48 H24 Co4 F8 N16 -","4","1","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.8856","synchrotron","","0.0393","0.0354","","","0.0909","0.0929","","","","","","1.072","","","","has coordinates","241377","2020-10-21","18:00:00",""
"4131087","9.7864","0.0003","9.7864","0.0003","13.161","0.0005","90","","90","","90","","1260.48","0.07","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C44 H76 N4 O16 -","4","1","","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","","","1.54178","CuKα","","0.0246","0.0242","","","0.0627","0.0631","","","","","","1.082","","","","has coordinates","241382","2020-10-21","18:00:00",""
"4133692","13.6204","0.0004","13.6204","0.0004","37.271","0.0011","90","","90","","90","","6914.3","0.4","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","","","- C78 H78 F6 Ga N6 O7 P -","- C78 H78 F6 Ga N6 O7 P -","- C312 H312 F24 Ga4 N24 O28 P4 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0588","0.0534","","","0.1387","0.1441","","","","","","1.034","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133693","13.6416","0.0005","13.6416","0.0005","37.5054","0.0014","90","","90","","90","","6979.5","0.4","90","2","90","2","","","","","","","","5","P 43","P 4cw","78","","","","- C82 H86 Ga N6 O8 -","- C82 H86 Ga N6 O8 -","- C328 H344 Ga4 N24 O32 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.065","0.0642","","","0.1701","0.1707","","","","","","1.059","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4301539","8.9314","0.0009","8.9314","0.0009","42.105","0.003","90","","90","","90","","3358.7","0.5","150","2","150","2","","","","","","","","7","P 43","P 4cw","78","","","","- C36 H29 F6 N6 O2 P Ru -","- C36 H29 F6 N6 O2 P Ru -","- C144 H116 F24 N24 O8 P4 Ru4 -","4","1","","Sipke H. Wadman; Martin Lutz; Duncan M. Tooke; Anthony L. Spek; František Hartl; Remco W. A. Havenith; Gerard P. M. van Klink; Gerard van Koten","Consequences of N,C,N'- and C,N,N'-Coordination Modes on Electronic and Photophysical Properties of Cyclometalated Aryl Ruthenium(II) Complexes","Inorganic Chemistry","2009","48","","1887","1900","10.1021/ic801595m","","","0.71073","MoKα","","0.0438","0.0376","","","0.0869","0.0933","","","","","","1.119","","","","has coordinates,has disorder","179053","2020-10-21","18:00:00",""
"4304594","12.6159","0.0009","12.6159","0.0009","18.211","0.003","90","","90","","90","","2898.5","0.6","173","2","173","2","","","","","","","","6","P 43","P 4cw","78","","","","- C25 H46 Cl N5 Ni O6 -","- C25 H46 Cl N5 Ni O6 -","- C100 H184 Cl4 N20 Ni4 O24 -","4","1","","Guang-Chuan Ou; Long Jiang; Xiao-Long Feng; Tong-Bu Lu","Spontaneous Resolution of a Racemic Nickel(II) Complex and Helicity Induction via Hydrogen Bonding: The Effect of Chiral Building Blocks on the Helicity of One-Dimensional Chains","Inorganic Chemistry","2008","47","","2710","2718","10.1021/ic7021424","","","0.71073","MoKα","","0.0567","0.0375","","","0.0792","0.0868","","","","","","1.027","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4307809","13.0803","0.0005","13.0803","0.0005","11.8765","0.0004","90","","90","","90","","2032","0.13","100","2","100","2","","","","","","","","6","P 43","P 4cw","78","[MeB(3-(CF3)Pz)3]AgC2H4","","","- C15 H13 Ag B F9 N6 -","- C15 H13 Ag B F9 N6 -","- C60 H52 Ag4 B4 F36 N24 -","4","1","","H. V. Rasika Dias; Jiang Wu; Xiaoyu Wang; Krishnan Rangan","Structural Variations of Silver Ethylene Complexes Supported by Boron-Protected Fluorinated Scorpionates and the Isolation of a Ligand-Directed Silver Helix","Inorganic Chemistry","2007","46","","1960","1962","10.1021/ic062293o","","","0.71073","MoKα","","0.017","0.0168","","","0.0425","0.0426","","","","","","1.043","","","","has coordinates","179116","2020-10-21","18:00:00",""
"4308422","10.2115","0.0004","10.2115","0.0004","43.848","0.003","90","","90","","90","","4572.2","0.4","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","","","- C50 H45 Cl2 N6 Ni2 O10 -","- C50 H45 Cl2 N6 Ni2 O10 -","- C200 H180 Cl8 N24 Ni8 O40 -","4","1","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.0514","0.0458","","","0.0993","0.1174","","","","","","1.051","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4308580","8.4034","0.0004","8.4034","0.0004","34.933","0.003","90","","90","","90","","2466.9","0.3","153","2","153","2","","","","","","","","7","P 43","P 4cw","78","Cd(C~5~H~6~N~2~)~4~NbOF~5~","","","- C20 H24 Cd F5 N8 Nb O -","- C20 H24 Cd F5 N8 Nb O -","- C80 H96 Cd4 F20 N32 Nb4 O4 -","4","1","","Heather K. Izumi; Janet E. Kirsch; Charlotte L. Stern; Kenneth R. Poeppelmeier","Examining the Out-of-Center Distortion in the [NbOF5]2- Anion","Inorganic Chemistry","2005","44","","884","895","10.1021/ic048766d","","","0.71073","MoKα","","0.0427","0.0384","","","0.0876","0.0894","","","","","","1.096","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4311595","10.55","0.005","10.55","0.005","23.15","0.01","90","","90","","90","","2577","2","293.2","","","","","","","","","","","5","P 43","P 4cw","78","","","","- C26 H24 Co2 Cu O10 -","- C26 H16 Co2 Cu O10 -","- C104 H64 Co8 Cu4 O40 -","4","1","","Mitsuru Kondo; Yuri Hayakawa; Makoto Miyazawa; Aiko Oyama; Kei Unoura; Hiroyuki Kawaguchi; Tetsuyoshi Naito; Kenji Maeda; Fumio Uchida","A New Redox-Active Coordination Polymer with Cobalticinium Dicarboxylate","Inorganic Chemistry","2004","43","","5801","5803","10.1021/ic049273b","","","0.7107","MoKα","","","0.0584","","","","0.0603","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311937","15.1881","0.0009","15.1881","0.0009","38.671","0.005","90","","90","","90","","8920.6","1.4","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","","","- C72 H82 Cu8 F12 N18 O24 S4 -","- C72 H82 Cu8 F12 N18 O24 S4 -","- C288 H328 Cu32 F48 N72 O96 S16 -","4","1","","Arunendu Mondal; Yang Li; Masood A. Khan; Joseph H. Ross,; Robert P. Houser","Supramolecular Copper Hydroxide Tennis Balls: Self-Assembly, Structures, and Magnetic Properties of Octanuclear [Cu8L8(OH)4]4+ Clusters (HL =N-(2-Pyridylmethyl)acetamide)","Inorganic Chemistry","2004","43","","7075","7082","10.1021/ic0493292","","","0.71073","MoKα","","0.0194","0.019","","","0.0499","0.05","","","","","","1.046","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4313543","12.9483","0.0007","12.9483","0.0007","33.416","0.003","90","","90","","90","","5602.5","0.7","193","2","193","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H53 N20 Ni4 O36.5 -","- C32 H53 N20 Ni4 O36.5 -","- C128 H212 N80 Ni16 O146 -","4","1","","Zhiqiang Xu; Laurence K. Thompson; Victoria A. Milway; Liang Zhao; Timothy Kelly; David O. Miller","Self-Assembled Dinuclear, Trinuclear, Tetranuclear, Pentanuclear, and Octanuclear Ni(II) Complexes of a Series of Polytopic Diazine Based Ligands: Structural and Magnetic Properties","Inorganic Chemistry","2003","42","","2950","2959","10.1021/ic0206950","","","0.71073","MoKα","","0.0524","0.048","","","0.131","0.1348","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314216","11.9009","0.0004","11.9009","0.0004","27.119","0.0013","90","","90","","90","","3840.9","0.3","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","","","- C40 H48 Cl2 N2 O2 Ru S2 -","- C40 H34 Cl2 N2 O2 Ru S2 -","- C160 H136 Cl8 N8 O8 Ru4 S8 -","4","1","","Chui-Ying Lai; Wing-Leung Mak; Eddie Y. Y. Chan; Yiu-Keung Sau; Qian-Feng Zhang; Samuel M. F. Lo; Ian D. Williams; Wa-Hung Leung","Ruthenium Complexes with Chiral Tetradentate Imino-Sulfoxide Ligands","Inorganic Chemistry","2003","42","","5863","5870","10.1021/ic030075e","","","0.71073","MoKα","","0.0473","0.0378","","","0.0795","0.0817","","","","","","0.953","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314501","12.5537","0.0018","12.5537","0.0018","35.309","0.007","90","","90","","90","","5564.5","1.6","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C46 H100 In O8 P3 -","- C46 H100 In O8 P3 -","- C184 H400 In4 O32 P12 -","4","1","","Jean-Charles Buffet; Jun Okuda; Polly L. Arnold","Chiral Indium Alkoxide Complexes as Initiators for the Stereoselective Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2010","49","","419","426","10.1021/ic900740n","","","0.71073","MoKα","","0.1482","0.0955","","","0.2389","0.3022","","","","","","1.008","","","","has coordinates","179221","2020-10-21","18:00:00",""
"4314579","11.2355","0.001","11.2355","0.001","32.768","0.003","90","","90","","90","","4136.5","0.6","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","","","- C51 H49 B N6 O Ru -","- C51 H49 B N6 O Ru -","- C204 H196 B4 N24 O4 Ru4 -","4","1","","Casey R. Wade; François P. Gabbaï","Cyanide Anion Binding by a Triarylborane at the Outer Rim of a Cyclometalated Ruthenium(II) Cationic Complex","Inorganic Chemistry","2010","49","","714","720","10.1021/ic9020349","","","0.71073","MoKα","","0.0775","0.0447","","","0.0761","0.1073","","","","","","1","","","","has coordinates","179221","2020-10-21","18:00:00",""
"4319352","8.8079","0.0003","8.8079","0.0003","40.035","0.002","90","","90","","90","","3105.9","0.2","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C30 H22 Cl2 Mn N6 O9 -","- C30 H22 Cl2 Mn N6 O8.5 -","- C120 H88 Cl8 Mn4 N24 O34 -","4","1","","Hiroki Oshio; Hartmut Spiering; Vadim Ksenofontov; Franz Renz; Philipp Gütlich","Electronic Relaxation Phenomena Following 57Co(EC)57Fe Nuclear Decay in [MnII(terpy)2](ClO4)2.1/2H2O and in the Spin Crossover Complexes [CoII(terpy)2]X2.nH2O (X = Cl and ClO4): A Mössbauer Emission Spectroscopic Study","Inorganic Chemistry","2001","40","","1143","1150","10.1021/ic000714a","","","0.71073","MoKα","","0.054","0.0507","","","0.1235","0.1255","","","","","","1.039","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4320003","17.1059","0.0007","17.1059","0.0007","16.8153","0.001","90","","90","","90","","4920.4","0.4","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C46 H71 Mo N6 Na O5 -","- C46 H71 Mo N6 Na O5 -","- C184 H284 Mo4 N24 Na4 O20 -","4","1","","George E. Greco; Richard R. Schrock","Synthesis, Structure, and Electrochemical Studies of Molybdenum and Tungsten Dinitrogen, Diazenido, and Hydrazido Complexes That Contain Aryl-Substituted Triamidoamine Ligands","Inorganic Chemistry","2001","40","","3861","3878","10.1021/ic001123n","","","0.71073","MoKα","","0.0602","0.0398","","","0.0807","0.0858","","","","","","0.937","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4320121","9.621","0.001","9.6206","","12.911","0.001","90","","90","","90","","1195.04","0.15","296.2","","296.2","","","","","","","","","6","P 43","P 4cw","78","","","","- C7 H15 N2 O3 Re S2 -","- C7 H15 N2 O3 Re S2 -","- C28 H60 N8 O12 Re4 S8 -","4","1","","Takumi Konno; Yuichi Shimazaki; Masayuki Kawai; Masakazu Hirotsu","Synthesis, Characterization, and Stereochemistry of Oxorhenium(V) Complexes with 2-Aminoethanethiolate","Inorganic Chemistry","2001","40","","4250","4256","10.1021/ic010326o","","","0.7107","MoKα","","0.0194","0.0194","","","0.021","0.021","","","","","","0.719","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320748","16.62","0.002","16.62","0.002","13.02","0.003","90","","90","","90","","3596.4","1","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","[Ru~(ptzo)~(bpy)~2](ClO~4~)~2~H~2~O","pzto-bis-2,2'-bipyridine-ruthenium(II) perchlorate hydrate","","- C33 H25 Cl2 N9 O10 Ru -","- C33 H26 Cl2 N9 O11 Ru -","- C132 H104 Cl8 N36 O44 Ru4 -","4","1","","Xiao-Hua Zou; Hong Li; Guang Yang; Hong Deng; Jie Liu; Run-Hua Li; Qian-Ling Zhang; Ya Xiong; Liang-Nian Ji","Synthesis, Characterization, and Crystal Structure of a Functionalized Ruthenium(II) Polypyridyl Complex with Fused Triazinone as Ligand","Inorganic Chemistry","2001","40","","7091","7095","10.1021/ic001429u","","","0.71073","MoKα","","0.1282","0.0756","","","0.1983","0.2324","","","","","","0.953","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4323373","10.435","0.002","10.435","","41.04","0.004","90","","90","","90","","4468.8","1","213.2","","213.2","","","","","","","","","6","P 43","P 4cw","78","","[T-4-[(R-(R~*~,R~*~)]]-Λ-(‒)-(1,1,4,7,10,10-hexaphenyl-1,4,7,10- tetraphosphadecane)copper(I) hexafluorophosphate ethanol-solvate","","- C44 H48 Cu F6 O P5 -","- C44 H42 Cu F6 O P5 -","- C176 H168 Cu4 F24 O4 P20 -","4","1","","Anthea L. Airey; Gerhard F. Swiegers; Anthony C. Willis; S. Bruce Wild","Self-Assembly of Homochiral Double Helix and Side-by-Side Helix Conformers of Double-Stranded Disilver(I)- and Digold(I)-Tetra(tertiary phosphine) Helicates","Inorganic Chemistry","1997","36","","1588","1597","10.1021/ic9610344","","","1.5418","CuKα","","","0.03","","","0.034","","","","","1.92","1.92","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323491","9.4748","0.001","9.4748","0.001","42.159","0.006","90","","90","","90","","3784.7","0.8","297","2","297","2","","","","","","","current publication","6","P 43","P 4cw","78","","Bis-(triphenylphospnoranyliden)ammonium tetrakis-difluoromethylargentate(III)","","- C40 H34 Ag F8 N P2 -","- C40 H34 Ag F8 N P2 -","- C160 H136 Ag4 F32 N4 P8 -","4","1","","Reint Eujen; Berthold Hoge; David J. Brauer","Preparation and NMR Spectra of Difluoromethylated Silver(I) and Silver(III) Compounds. Structure of [PNP][Ag(CF~2~H)~4~].","Inorganic Chemistry","1997","36","","3160","3166","10.1021/ic961398w","","","1.54178","CuKα","","0.0469","0.0453","","0.1171","0.1155","","","","1.008","1.019","1.019","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4324521","14.336","0.0012","14.336","0.0012","15.199","0.003","90","","90","","90","","3123.7","0.7","180","2","180","2","","","","","","","","7","P 43","P 4cw","78","","","","- C31 H42 Cl F Li N5 O -","- C31 H42 Cl F Li N5 O -","- C124 H168 Cl4 F4 Li4 N20 O4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba","Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines","Inorganic Chemistry","2011","50","","1826","1839","10.1021/ic102242x","","","0.71073","MoKα","","0.1281","0.0626","","","0.1486","0.1994","","","","","","0.949","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324522","14.5316","0.0007","14.5316","0.0007","15.1786","0.0016","90","","90","","90","","3205.2","0.4","180","2","180","2","","","","","","","","6","P 43","P 4cw","78","","","","- C31 H42 Cl2 Li N5 O -","- C31 H42 Cl2 Li N5 O -","- C124 H168 Cl8 Li4 N20 O4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba","Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines","Inorganic Chemistry","2011","50","","1826","1839","10.1021/ic102242x","","","0.71073","MoKα","","0.1178","0.0643","","","0.1596","0.2066","","","","","","1.006","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4325910","19.253","0.003","19.253","0.003","18.313","0.004","90","","90","","90","","6788","2","133","2","133","2","","","","","","","","6","P 43","P 4cw","78","","","","- C45 H74 Cu5 N13 O31 Sm -","- C45 H50 Cu5 N12 O24 Sm -","- C180 H200 Cu20 N48 O96 Sm4 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0446","0.0387","","","0.1025","0.1054","","","","","","1.084","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325914","19.2377","0.0014","19.2377","0.0014","18.325","0.003","90","","90","","90","","6781.9","1.3","118","2","118","2","","","","","","","","6","P 43","P 4cw","78","","","","- C46 H73 Cu5 Gd N12 O27 -","- C46 H52 Cu5 Gd N12 O25 -","- C184 H208 Cu20 Gd4 N48 O100 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0413","0.0368","","","0.0964","0.099","","","","","","1.093","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4328361","12.355","0.003","12.355","0.003","7.9025","0.0016","90","","90","","90","","1206.3","0.5","113","2","113","2","","","","","","","","5","P 43","P 4cw","78","","","","- C6 H9 Cu N8 O1.5 -","- C6 H8 Cu N8 O1.5 -","- C24 H32 Cu4 N32 O6 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0461","0.039","","","0.0995","0.1033","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328371","12.3751","0.0001","12.3751","0.0001","7.9226","0.0001","90","","90","","90","","1213.29","0.02","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0355","0.0325","","","0.117","0.118","","","","","","1.152","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4330344","12.2098","0.0017","12.2098","0.0017","17.848","0.004","90","","90","","90","","2660.8","0.8","293","2","293","2","","","","","","","","7","P 43","P 4cw","78","","","","- Bi2 Cl Cs3 K Mn4 O24 P6 -","- Bi2 Cl Cs3 K Mn4 O24 P6 -","- Bi8 Cl4 Cs12 K4 Mn16 O96 P24 -","4","1","","J. Palmer West; Dino Sulejmanovic; Shiou-Jyh Hwu; Jian He; Don VanDerveer; B. Keith Johnson","Synthesis and Structure of Bismuth(III)-Containing Noncentrosymmetric Phosphates, Cs3KBi2M4(PO4)6Cl (M = Mn, Fe). Monoclinic (Cc) and Tetragonal (P43) Polymorphs Templated by Chlorine-Centered Cl(Bi2Cs) Acentric Units","Inorganic Chemistry","2012","51","","9723","9729","10.1021/ic3010129","","","0.71073","MoKα","","0.0573","0.0528","","","0.1335","0.138","","","","","","1.119","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4331350","6.9992","0.0001","6.9992","0.0001","11.8201","0.0003","90","","90","","90","","579.053","0.019","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C H3 La O7 S -","- C H3 La O7 S -","- C4 H12 La4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0123","0.0121","","","0.0272","0.0273","","","","","","0.998","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331351","6.9967","0.0003","6.9967","0.0003","11.778","0.0011","90","","90","","90","","576.58","0.06","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C H3 Ce O7 S -","- C H3 Ce O7 S -","- C4 H12 Ce4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0132","0.013","","","0.0317","0.0318","","","","","","1.025","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331352","6.9873","0.0005","6.9873","0.0005","11.7373","0.0017","90","","90","","90","","573.04","0.1","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C H3 O7 Pr S -","- C H3 O7 Pr S -","- C4 H12 O28 Pr4 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0174","0.0173","","","0.0404","0.0405","","","","","","1.055","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331353","6.9724","0.0004","6.9724","0.0004","11.7007","0.0016","90","","90","","90","","568.82","0.09","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C H3 Nd O7 S -","- C H3 Nd O7 S -","- C4 H12 Nd4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0224","0.0224","","","0.0564","0.0564","","","","","","1.15","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331354","6.9111","0.0016","6.9111","0.0016","11.604","0.005","90","","90","","90","","554.2","0.3","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C H3 Eu O7 S -","- C H3 Eu O7 S -","- C4 H12 Eu4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0194","0.0191","","","0.0448","0.045","","","","","","1.041","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4335789","12.8742","0.0002","12.8742","0.0002","14.6812","0.0003","90","","90","","90","","2433.34","0.07","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C26 H27 Au N3 P -","- C26 H27 Au N3 P -","- C104 H108 Au4 N12 P4 -","4","1","","Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray","Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects","Inorganic Chemistry","2013","52","","9659","9668","10.1021/ic4014569","","","0.71073","MoKα","","0.0322","0.025","","","0.0521","0.0553","","","","","","1.089","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335790","13.9165","0.0005","13.9165","0.0005","12.8078","0.0007","90","","90","","90","","2480.47","0.19","298","2","298","2","","","","","","","","6","P 43","P 4cw","78","","","","- C27 H23 Au N3 O P -","- C27 H23 Au N3 O P -","- C108 H92 Au4 N12 O4 P4 -","4","1","","Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray","Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects","Inorganic Chemistry","2013","52","","9659","9668","10.1021/ic4014569","","","0.71073","MoKα","","0.0367","0.0252","","","0.0453","0.0484","","","","","","0.987","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335843","9.2357","0.0003","9.2357","0.0003","13.9563","0.0011","90","","90","","90","","1190.45","0.11","100","2","100","2","","","","","","","","6","P 43","P 4cw","78","","c,c,t-diammindichlorodipropanatoplatinum(IV)","","- C6 H16 Cl2 N2 O4 Pt -","- C6 H16 Cl2 N2 O4 Pt -","- C24 H64 Cl8 N8 O16 Pt4 -","4","1","","Timothy C. Johnstone; Stephen J. Lippard","The Effect of Ligand Lipophilicity on the Nanoparticle Encapsulation of Pt(IV) Prodrugs","Inorganic Chemistry","2013","52","","9915","9920","10.1021/ic4010642","","","0.71073","MoKα","","0.0168","0.0167","","","0.0371","0.0371","","","","","","1.065","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4342559","13.0721","0.0004","13.0721","0.0004","11.1466","0.0005","90","","90","","90","","1904.73","0.12","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C17 H14 Mn2 N0 O10 -","- C17 H12 Mn2 O10 -","- C68 H48 Mn8 O40 -","4","1","","Tian, Chong-Bin; He, Chao; Han, Yun-Hu; Wei, Qi; Li, Qi-Peng; Lin, Ping; Du, Shao-Wu","Four New Mn(II) Inorganic-Organic Hybrid Frameworks with Diverse Inorganic Magnetic Chain's Sequences: Syntheses, Structures, Magnetic, NLO, and Dielectric Properties.","Inorganic chemistry","2015","54","6","2560","2571","10.1021/ic502664e","","","0.71073","MoKα","","0.0994","0.0735","","","0.1916","0.2212","","","","","","1.034","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4343040","12.1642","0.0002","12.1642","0.0002","14.9912","0.0004","90","","90","","90","","2218.21","0.08","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0353","0.0342","","","0.0755","0.0776","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343041","12.1724","0.0005","12.1724","0.0005","15.0581","0.0006","90","","90","","90","","2231.12","0.16","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.038","0.0347","","","0.0704","0.0726","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343043","12.1343","0.0004","12.1343","0.0004","14.9938","0.0006","90","","90","","90","","2207.71","0.14","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0394","0.0365","","","0.0684","0.0698","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343044","12.1803","0.0003","12.1803","0.0003","15.0789","0.0004","90","","90","","90","","2237.1","0.1","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0307","0.0292","","","0.063","0.0641","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343047","12.1871","0.0003","12.1871","0.0003","15.1107","0.0004","90","","90","","90","","2244.32","0.1","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0471","0.0413","","","0.0743","0.0765","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4347726","8.92212","0.00013","8.92212","0.00013","32.0341","0.0008","90","","90","","90","","2550.05","0.08","150","","150","","","","","","","","","6","P 43","P 4cw","78","","","","- C26 H22 F6 Ir N4 P -","- C26 H22 F6 Ir N4 P -","- C104 H88 F24 Ir4 N16 P4 -","4","1","","Yao, Su-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Asymmetric Synthesis of Enantiomerically Pure Mono- and Binuclear Bis(cyclometalated) Iridium(III) Complexes.","Inorganic chemistry","2016","55","12","6018","6026","10.1021/acs.inorgchem.6b00527","","","1.54178","CuKα","","0.029","0.0279","","","0.064","0.0646","","","","","","1.051","","","","has coordinates","232470","2020-10-21","18:00:00",""
"4350719","14.1819","0.0015","14.1819","0.0015","10.816","0.0011","90","","90","","90","","2175.4","0.4","296","2","296","2","","","","","","","","7","P 43","P 4cw","78","cwmwm03","","","- C19 H18 Cl2 Fe N3 O2 S -","- C19 H18 Cl2 Fe N3 O2 S -","- C76 H72 Cl8 Fe4 N12 O8 S4 -","4","1","","Cavell, Andrew C.; Hartley, Carolyn L.; Liu, Dan; Tribble, Connor S.; McNamara, William R.","Sulfinato iron(III) complex for electrocatalytic proton reduction.","Inorganic chemistry","2015","54","7","3325","3330","10.1021/ic5030394","","","0.71073","MoKα","","0.0574","0.0451","","","0.1008","0.1061","","","","","","1.106","","","","has coordinates","239995","2020-10-21","18:00:00",""
"4500413","12.3421","0.001","12.3421","0.001","18.221","0.003","90","","90","","90","","2775.6","0.6","173","2","173","2","","","","","","","","6","P 43","P 4cw","78","","","","- C22 H48 Cl N5 Ni O6 -","- C22 H48 Cl N5 Ni O6 -","- C88 H192 Cl4 N20 Ni4 O24 -","4","1","","Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu","pH Values Dependent Helicity of 1D Homochiral Helical Chains","Crystal Growth & Design","2011","11","3","851","","10.1021/cg101515g","","","0.71073","MoKα","","0.0813","0.0478","","","0.1237","0.1454","","","","","","0.994","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4502830","8.0153","0.0016","8.0153","0.0016","33.532","0.007","90","","90","","90","","2154.3","0.8","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C24 H18 N4 O5 Zn -","- C24 H18 N4 O5 Zn -","- C96 H72 N16 O20 Zn4 -","4","1","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.1556","0.0893","","","0.1232","0.1436","","","","","","1.061","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4504063","19.2377","0.0014","19.2377","0.0014","18.325","0.003","90","","90","","90","","6781.9","1.3","118","2","118","2","","","","","","","","6","P 43","P 4cw","78","","","","- C46 H73 Cu5 Gd N12 O27 -","- C46 H52 Cu5 Gd N12 O25 -","- C184 H208 Cu20 Gd4 N48 O100 -","4","1","","Zaleski, Curtis M.; Cutland-Van Noord, Annabel D.; Kampf, Jeff W.; Pecoraro, Vincent L.","Controlling the Polymorph of LnIII(NO3)3-x(OH)x[15-MCCuII(N)S-pheHA-5] Complexes through Solvent Type and LnIIIIon Choice","Crystal Growth & Design","2007","7","6","1098","","10.1021/cg060743h","","","0.71073","MoKα","","0.0413","0.0368","","","0.0964","0.099","","","","","","1.093","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4505245","11.355","0.002","11.355","0.002","27.183","0.005","90","","90","","90","","3504.9","1.1","90","2","90","2","","","","","","","","5","P 43","P 4cw","78","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C80 H192 Mn8 N16 O104 -","8","2","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.0535","0.0361","","","0.0706","0.0755","","","","","","1.025","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505246","11.482","0.002","11.482","0.002","27.424","0.006","90","","90","","90","","3615.5","1.2","294","2","294","2","","","","","","","","5","P 43","P 4cw","78","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C80 H192 Mn8 N16 O104 -","8","2","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.1209","0.0466","","","0.0819","0.1011","","","","","","0.947","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505332","7.6856","0.0003","7.6856","0.0003","11.9467","0.001","90","","90","","90","","705.67","0.07","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C6 H2 Ag2 N2 O4 -","- C6 H2 Ag2 N2 O4 -","- C24 H8 Ag8 N8 O16 -","4","1","","Yang, Jin-Hua; Zheng, Shao-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescent Properties of Three Silver(I) Cluster-Based Coordination Polymers with Heteroaryldicarboxylate","Crystal Growth & Design","2004","4","4","831","","10.1021/cg0342258","","","0.71073","MoKα","","0.0201","0.0197","","","0.0475","0.0476","","","","","","1.086","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505881","19.967","0.003","19.967","0.003","5.4405","0.001","90","","90","","90","","2169","0.6","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Rajbongshi, Basanta Kumar; Nair, Nisanth N.; Nethaji, M.; Ramanathan, Gurunath","Segregation into Chiral Enantiomeric Conformations of an Achiral Molecule by Concomitant Polymorphism","Crystal Growth & Design","2012","12","4","1823","","10.1021/cg201313g","","","0.71073","MoKα","","0.1238","0.065","","","0.1443","0.1903","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507144","13.1403","0.0001","13.1403","0.0001","34.4622","0.0002","90","","90","","90","","5950.5","0.07","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C57 H52 B F26 P2 Rh -","- C57 H52 B F26 P2 Rh -","- C228 H208 B4 F104 P8 Rh4 -","4","1","","Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.","Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne","ACS Catalysis","2012","2","12","2779","","10.1021/cs300541m","","","0.71073","MoKα","","0.0443","0.0392","","","0.0959","0.0996","","","","","","1.023","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4508969","15.8465","0.0014","15.8465","0.0014","21.775","0.003","90","","90","","90","","5468","1","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C57 H48 N5 Ni2 O9.5 -","- C52 H42 N4 Ni2 O9 -","- C208 H168 N16 Ni8 O36 -","4","1","","Ma, Yu; Cheng, Ai-Ling; Zhang, Jian-Yong; Yue, Qi; Gao, En-Qing","One-, Two-, and Three-Dimensional Coordination Polymers of Stilbenedicarboxylate with Different Metal Ions","Crystal Growth & Design","2009","9","2","867","","10.1021/cg800506g","","","0.71073","MoKα","","0.1301","0.0811","","","0.199","0.2328","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510602","9.8991","0.001","9.8991","0.001","19.413","0.002","90","","90","","90","","1902.3","0.3","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C21 H17 N O3 S -","- C21 H17 N O3 S -","- C84 H68 N4 O12 S4 -","4","1","","Zhang, Yongqiang; Wang, Shengzheng; Wu, Shanchao; Zhu, Shiping; Dong, Guoqiang; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian; Sheng, Chunquan; Wang, Wei","Facile construction of structurally diverse thiazolidinedione-derived compounds via divergent stereoselective cascade organocatalysis and their biological exploratory studies.","ACS combinatorial science","2013","15","6","298","308","10.1021/co400022r","","","1.54178","CuKα","","0.0384","0.034","","","0.0983","0.1043","","","","","","0.744","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4511182","18.7991","0.0002","18.7991","0.0002","13.8136","0.0003","90","","90","","90","","4881.81","0.13","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C52 H44 Mn3 N4 O12 -","- C52 H44 Mn3 N4 O12 -","- C208 H176 Mn12 N16 O48 -","4","1","","Mukherjee, Sudarshana; Lan, Yanhua; Kostakis, George E.; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","Influence of Water Ligands on Structural Diversity: From a One-Dimensional Linear Coordination Polymer to Three-Dimensional Ferrimagnetic Diamondoid Metal−Organic Frameworks","Crystal Growth & Design","2009","9","1","577","","10.1021/cg800879c","","","0.71073","MoKα","","0.0375","0.0352","","","0.0848","0.0863","","","","","","1.02","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4514797","10.6545","0.0005","10.6545","0.0005","15.1128","0.0007","90","","90","","90","","1715.58","0.14","200","2","200","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0348","0.0309","","","0.0692","0.0717","","","","","","1.039","","","","has coordinates","219957","2020-10-21","18:00:00",""
"4515587","18.28107","0.00017","18.28107","0.00017","36.923","0.0005","90","","90","","90","","12339.6","0.2","173","","173","","","","","","","","","7","P 43","P 4cw","78","","","","- C26 H28 F6 Mn N4 O6 S2 -","- C26 H28 F6 Mn N4 O6 S2 -","- C416 H448 F96 Mn16 N64 O96 S32 -","16","4","","Du, Junyi; Miao, Chengxia; Xia, Chungu; Lee, Yong-Min; Nam, Wonwoo; Sun, Wei","Mechanistic Insights into the Enantioselective Epoxidation of Olefins by Bioinspired Manganese Complexes: Role of Carboxylic Acid and Nature of Active Oxidant","ACS Catalysis","2018","8","5","4528","","10.1021/acscatal.8b00874","","x-ray","1.54184","CuKα","","0.0642","0.0485","","","0.1154","0.1274","","","","","","1.024","","","","has coordinates,has disorder","225738","2020-10-21","18:00:00",""
"4515732","10.0186","0.0003","10.0186","0.0003","30.9734","0.0011","90","","90","","90","","3108.87","0.17","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","","","- C33 H41 Cl2 N Ru S -","- C33 H41 Cl2 N Ru S -","- C132 H164 Cl8 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0314","0.0287","","","0.0571","0.0583","","","","","","1.003","","","","has coordinates","225857","2020-10-21","18:00:00",""
"4516545","12.069","0.0007","12.069","0.0007","10.8286","0.0006","90","","90","","90","","1577.3","0.16","90","","90","","","","","","","","synthesized","3","P 43","P 4cw","78","","","","- C22 H16 O4 -","- C22 H16 O4 -","- C88 H64 O16 -","4","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.0441","0.0402","","0.109","0.1038","0.109","","","","","","0.9162","","","","has coordinates","231372","2020-10-21","18:00:00",""
"4516745","13.839","0.004","13.839","0.004","24.216","0.009","90","","90","","90","","4638","3","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","","","- C44 H60 Cl3 Co N6 O4 -","- C44 H60 Cl3 Co N6 O4 -","- C176 H240 Cl12 Co4 N24 O16 -","4","1","","Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A.","Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis.","ACS central science","2015","1","1","50","56","10.1021/acscentsci.5b00035","","","0.71073","MoKα","","0.0501","0.0442","","","0.1171","0.122","","","","","","1.059","","","","has coordinates,has disorder","239504","2020-10-21","18:00:00",""
"4516808","8.8965","0.0005","8.8965","0.0005","30.3964","0.0018","90","","90","","90","","2405.8","0.2","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C26 H29 I N2 O -","- C26 H27 I N2 O -","- C104 H108 I4 N8 O4 -","4","1","","Fan, Jiantao; Wright, Andrew G.; Britton, Benjamin; Weissbach, Thomas; Skalski, Thomas J. G.; Ward, Jonathan; Peckham, Timothy J.; Holdcroft, Steven","Cationic Polyelectrolytes, Stable in 10 M KOHaq at 100 °C","ACS Macro Letters","2017","6","10","1089","","10.1021/acsmacrolett.7b00679","","","1.54178","CuKα","","0.0645","0.064","","","0.1821","0.1826","","","","","","1.15","","","","has coordinates","239557","2020-10-21","18:00:00",""
"4517862","9.4877","0.0006","9.4877","0.0006","27.766","0.002","90","","90","","90","","2499.4","0.3","150","2","150","2","","","","","","","","4","P 43","P 4cw","78","","","","- C26 H40 Hf N2 -","- C26 H40 Hf N2 -","- C104 H160 Hf4 N8 -","4","1","","Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R.","Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator","ACS Catalysis","2020","","","8496","8502","10.1021/acscatal.0c02104","","","0.71073","MoKα","","0.0186","0.0165","","","0.0375","0.0378","","","","","","1.063","","","","has coordinates","257058","2020-10-21","18:00:00",""
"4518830","19.2893","0.0001","19.2893","0.0001","6.0504","0.0001","90","","90","","90","","2251.22","0.04","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C23 H24 Cl N3 O3 -","- C23 H24 Cl N3 O3 -","- C92 H96 Cl4 N12 O12 -","4","1","","Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights","ACS Catalysis","2021","11","13","8183","8196","10.1021/acscatal.1c01438","","x-ray","1.54184","CuKα","","0.039","0.0363","","","0.098","0.0998","","","","","","1.047","","","","has coordinates","266958","2021-07-04","01:33:10",""
"4518853","9.9852","0.0003","9.9852","0.0003","12.768","0.0004","90","","90","","90","","1273.02","0.07","150","2","150","","","","","","","","","3","P 43","P 4cw","78","","","","- C16 H15 N -","- C16 H15 N -","- C64 H60 N4 -","4","1","","Pan, Yongkai; Wang, Donglei; Chen, Yunrong; Zhang, DeKun; Liu, Wei; Yang, Xiaoyu","Kinetic Resolution of α-Tertiary Propargylic Amines through Asymmetric Remote Aminations of Anilines","ACS Catalysis","2021","","","8443","8448","10.1021/acscatal.1c02331","","","1.54178","CuKα","","0.0479","0.0427","","","0.0982","0.103","","","","","","1.107","","","","has coordinates","266936","2021-07-03","19:32:07",""
"5000269","9.584","0.003","9.584","0.003","18.996","0.003","90","","90","","90","","1744.84","","","","","","","","","","","","","5","P 43","P 4cw","78","","","","- C15 H19 Br2 Cl O2 -","- C15 H19 Br2 Cl O2 -","- C60 H76 Br8 Cl4 O8 -","4","1","","Letizia Ciavatta, Maria; Gavagnin, Margherita; Puliti, Raffaella; Cimino, Guido; Martínez, Eugenia; Ortea, Jesús; Andrea Mattia, Carlo","Dactylallene: A novel dietary C~15~ bromoallene from the Atlantic anaspidean mollusc Aplysia dactylomela","Tetrahedron","1997","53","51","17343","17350","10.1016/S0040-4020(97)10158-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7001039","11.2142","0.0007","11.2142","0.0007","13.555","0.0011","90","","90","","90","","1704.7","0.2","173","2","173","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H19 B Fe -","- C22 H19 B Fe -","- C88 H76 B4 Fe4 -","4","1","","Kaufmann, Linda; Breunig, Jens-Michael; Vitze, Hannes; Schödel, Frauke; Nowik, Israel; Pichlmaier, Markus; Bolte, Michael; Lerner, Hans-Wolfram; Winter, Rainer F.; Herber, Rolfe H.; Wagner, Matthias","Electronic communication in oligonuclear ferrocene complexes with anionic four-coordinate boron bridges","Dalton Transactions","2009","","16","2940","2950","10.1039/b821406a","","","0.71073","MoKα","","0.0486","0.0433","","","0.1033","0.1069","","","","","","1.025","","","","has coordinates","209589","2020-10-21","18:00:00",""
"7002853","14.744","0.0007","14.744","0.0007","25.171","0.0015","90","","90","","90","","5471.8","0.5","173","2","173","2","","","","","","","","7","P 43","P 4cw","78","","","","- C50.5 H72 F3 N O6 S Ti -","- C50.5 H72 F3 N O6 S Ti -","- C202 H288 F12 N4 O24 S4 Ti4 -","4","1","","Axe, Philip; Bull, Steven D.; Davidson, Matthew G.; Jones, Matthew D.; Robinson, Diane E. J. E.; Mitchell, William L.; Warren, John E.","An enantiopure pseudo-C3-symmetric titanium triflate with propeller-like chirality as a catalyst for asymmetric sulfoxidation reactions","Dalton Transactions","2009","","46","10169","10171","10.1039/b918141p","","","0.6942","Synchrotron","","0.1026","0.0675","","","0.175","0.2007","","","","","","0.992","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7003810","7.825","0.0003","7.825","0.0003","28.735","0.0011","90","","90","","90","","1759.46","0.12","150","2","150","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H33 B3 Zr -","- C13 H33 B3 Zr -","- C52 H132 B12 Zr4 -","4","1","","Liu, Fu-Chen; Yang, Chien-Chan; Chen, Shou-Chon; Lee, Gene-Hsian; Peng, Shie-Ming","Novel μ3-oxo complexes prepared from Cp*Zr(BH3R)3 (R = H, CH3) and B(C6F5)3 in diethyl ether","Dalton Transactions","2008","","27","3599","3604","10.1039/b719863a","","","0.71073","MoKα","","0.0278","0.0257","","","0.0632","0.0643","","","","","","1.052","","","","has coordinates","179742","2020-10-21","18:00:00",""
"7004622","19.1493","0.0013","19.1493","0.0013","13.415","0.0009","90","","90","","90","","4919.2","0.6","150","1","150","1","","","","","","","","8","P 43","P 4cw","78","","","","- C39 H42 Cl Cu F3 N4 O7 S3 -","- C39 H42 Cl Cu F3 N4 O7 S3 -","- C156 H168 Cl4 Cu4 F12 N16 O28 S12 -","4","1","","Caselli, Alessandro; Cesana, Francesca; Gallo, Emma; Casati, Nicola; Macchi, Piero; Sisti, Massimo; Celentano, Giuseppe; Cenini, Sergio","Designing new ligands: asymmetric cyclopropanation by Cu(i) complexes based on functionalised pyridine-containing macrocyclic ligands","Dalton Transactions","2008","","32","4202","4205","10.1039/b809317m","","","0.71069","MoKα","","0.1032","0.0914","","","0.247","0.2615","","","","","","1.078","","","","has coordinates","179750","2020-10-21","18:00:00",""
"7005789","11.026","0.002","11.026","0.002","25.56","0.004","90","","90","","90","","3107.4","0.9","93","2","93","2","","","","","","","","5","P 43","P 4cw","78","","","","- C26 H35 Cl I3 P3 -","- C26 H35 Cl I3 P3 -","- C104 H140 Cl4 I12 P12 -","4","1","","Kilian, Petr; Slawin, Alexandra M. Z.","1,8,9-Substituted anthracenes, intramolecular phosphine donor stabilized metaphosphonate and phosphenium.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3289","3296","10.1039/b705286c","","","0.71073","MoKα","","0.0602","0.0573","","","0.1425","0.1439","","","","","","1.078","","","","has coordinates","179761","2020-10-21","18:00:00",""
"7008536","11.4093","0.0016","11.4093","0.0016","13.279","0.004","90","","90","","90","","1728.6","0.6","173","2","173","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H20 N O P -","- C20 H20 N O P -","- C80 H80 N4 O4 P4 -","4","1","","Wiecko, Michal; Girnt, Denise; Rastätter, Marcus; Panda, Tarun K.; Roesky, Peter W.","Zirconium complexes having a chiral phosphanylamide in the co-ordination sphere.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2147","2150","10.1039/b503956h","","","0.71073","MoKα","","0.0276","0.0263","","","0.0727","0.0742","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7010991","8.671","0.005","8.671","0.005","54.06","0.04","90","","90","","90","","4065","4","153","2","153","2","","","","","","","","5","P 43","P 4cw","78","","","","- C28 H40 Cl4 N6 O23 -","- C28 H30 Cl4 N6 O23 -","- C112 H120 Cl16 N24 O92 -","4","1","","Ravi Prabaharan; Nicholas C. Fletcher; Mark Nieuwenhuyzen","Self-assembled triple helicates with preferential helicity","J. Chem. Soc., Dalton Trans.","2002","","4","602","608","10.1039/b106479g","","","0.71073","MoKα","","0.1568","0.1044","","","0.2539","0.3011","","","","","","0.968","","","","has coordinates,has disorder","179813","2020-10-21","18:00:00",""
"7011530","13.7944","0.0007","13.7944","0.0007","40.546","0.004","90","","90","","90","","7715.3","0.9","193","2","193","2","","","","","","","","5","P 43","P 4cw","78","","","","- C52 H68 Cu4 N22 O33 -","- C52 H68 Cu4 N22 O33 -","- C208 H272 Cu16 N88 O132 -","4","1","","Xu, Zhiqiang; Thompson, Laurence K.; Miller, David O.","A homoleptic, self-assembled [2 ×2] square Cu4 complex exhibiting intramolecular ferromagnetic exchange","Journal of the Chemical Society, Dalton Transactions","2002","","12","2462","","10.1039/b201076n","","","0.71073","MoKα","","0.1539","0.0899","","","0.2079","0.2435","","","","","","1.013","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7014202","21.224","0.005","21.224","0.005","14.23","0.002","90","","90","","90","","6410","2","293","2","293","2","","","","","","","","7","P 43","P 4cw","78","","","","- C58 H51 Cl2 N O2 P4 Pd2 -","- C58 H51 Cl2 N O2 P4 Pd2 -","- C232 H204 Cl8 N4 O8 P16 Pd8 -","4","1","","Besenyei, Gábor; Párkányi, László; Szalontai, Gábor; Holly, Sándor; Pápai, Imre; Keresztury, Gábor; Nagy, Andrea","N-benzoylimido complexes of palladium. Synthesis, structural characterisation and structure-reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2041","2050","10.1039/b403200d","","","0.71073","MOkα","","0.115","0.0542","","","0.1176","0.1318","","","","","","0.903","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7015734","11.5093","0.0002","11.5093","0.0002","41.8662","0.0011","90","","90","","90","","5545.8","0.2","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C32 H52 Cu4 N16 O32 Sr2 -","- C32 H52 Cu4 N16 O32 Sr2 -","- C128 H208 Cu16 N64 O128 Sr8 -","4","1","","Chen, Yanmei; Zheng, Lina; She, Shixiong; Chen, Zhou; Hu, Bin; Li, Yahong","Two novel heterometallic Cu(II)-Sr(II) coordination polymers based on 3,5-pyrazoledicarboxylic acid: synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4970","4975","10.1039/c1dt10034c","","","0.71073","MoKα","","0.0928","0.0614","","","0.1476","0.1589","","","","","","1.06","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7018371","17.2841","0.0005","17.2841","0.0005","20.9702","0.0017","90","","90","","90","","6264.6","0.6","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C216 H136 Cd4 Cl24 N40 O56 -","- C216 H132 Cd4 Cl24 N40 O56 -","- C216 H132 Cd4 Cl24 N40 O56 -","1","0.25","","Li, Guo-Bi; He, Jian-Rong; Pan, Mei; Deng, Hai-Ying; Liu, Jun-Min; Su, Cheng-Yong","Construction of 0D to 3D cadmium complexes from different pyridyl diimide ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4626","4633","10.1039/c2dt11815g","","","0.71073","MoKα","","0.1953","0.0984","","","0.2102","0.2464","","","","","","1.006","","","","has coordinates,has disorder","179887","2020-10-21","18:00:00",""
"7018433","10.8355","0.0004","10.8355","0.0004","29.115","0.002","90","","90","","90","","3418.3","0.3","301","2","301","2","","","","","","","","6","P 43","P 4cw","78","","","","- C29 H36 Fe Mn2 N10 O5 -","- C29 H36 Fe Mn2 N10 O5 -","- C116 H144 Fe4 Mn8 N40 O20 -","4","1","","Peresypkina, Eugenia V.; Vostrikova, Kira E.","2[Mn(acacen)](+) + 1[Fe(CN)(5)NO](-) polynuclear heterobimetallic coordination compounds of different dimensionality in the solid state.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4100","4106","10.1039/c2dt11983h","","","0.71073","MoKα","","0.0564","0.036","","","0.0752","0.0834","","","","","","0.955","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7021859","7.945","0.0005","7.945","0.0005","22.347","0.003","90","","90","","90","","1410.6","0.2","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","Bis(trimethylhydroxoarsonium) hexafluoridosilicate(IV)","","- C6 H20 As2 F6 O2 Si -","- C6 H20 As2 F6 O2 Si -","- C24 H80 As8 F24 O8 Si4 -","4","1","","George, Kathryn; Hector, Andrew L.; Levason, William; Reid, Gillian; Sanderson, George; Webster, Michael; Zhang, Wenjian","Hypervalent neutral O-donor ligand complexes of silicon tetrafluoride, comparisons with other group 14 tetrafluorides and a search for soft donor ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1584","1593","10.1039/c0dt01115k","","","0.71073","MoKα","","0.0412","0.0368","","","0.0793","0.0813","","","","","","1.114","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7024758","13.3219","0.0009","13.3219","0.0009","17.576","0.002","90","","90","","90","","3119.3","0.5","173","2","173","2","","","","","","","","6","P 43","P 4cw","78","","","","- C22 H49 Cl2 N5 Ni O10 -","- C22 H49 Cl2 N5 Ni O10 -","- C88 H196 Cl8 N20 Ni4 O40 -","4","1","","Ou, Guang-Chuan; Wang, Zi-Zhou; Yang, Li-Zi; Zhao, Cun-Yuan; Lu, Tong-Bu","Chiral resolution of a racemic macrocyclic complex by recognition of one enantiomer over the other: structures and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4274","4279","10.1039/b921141a","","","0.71073","MoKα","","0.0876","0.0443","","","0.0823","0.0983","","","","","","1.03","","","","has coordinates,has disorder","179952","2020-10-21","18:00:00",""
"7024762","13.4869","0.0008","13.4869","0.0008","17.414","0.002","90","","90","","90","","3167.5","0.5","173","2","173","2","","","","","","","","6","P 43","P 4cw","78","","","","- C22 H49 Cl2 N5 Ni O10 -","- C22 H49 Cl2 N5 Ni O10 -","- C88 H196 Cl8 N20 Ni4 O40 -","4","1","","Ou, Guang-Chuan; Wang, Zi-Zhou; Yang, Li-Zi; Zhao, Cun-Yuan; Lu, Tong-Bu","Chiral resolution of a racemic macrocyclic complex by recognition of one enantiomer over the other: structures and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4274","4279","10.1039/b921141a","","","0.71073","MoKα","","0.0643","0.0432","","","0.0972","0.1075","","","","","","1.051","","","","has coordinates,has disorder","179952","2020-10-21","18:00:00",""
"7025356","12.0259","0.0006","12.0259","0.0006","17.379","0.0014","90","","90","","90","","2513.4","0.3","143","2","143","2","","","","","","","","8","P 43","P 4cw","78","","","","- C25 H22 Ag F3 Fe N4 O5 S -","- C25 H22 Ag F3 Fe N4 O5 S -","- C100 H88 Ag4 F12 Fe4 N16 O20 S4 -","4","1","","Aguado, Javier E.; Crespo, Olga; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Villacampa, M. Dolores","Coordination properties of the 1,1'-bis[((6-methyl)-2-pyridyl)amido]ferrocene ligand towards group 11 complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4321","4330","10.1039/b927208a","","","0.71073","MoKα","","0.0275","0.023","","","0.0478","0.0491","","","","","","1.03","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7028481","17.6845","0.0007","17.6845","0.0007","12.6644","0.0009","90","","90","","90","","3960.7","0.4","293","2","293","2","","","","","","","","7","P 43","P 4cw","78","","","","- C38 H29 F12 N7 O P2 Ru -","- C38 H29 F12 N7 O P2 Ru -","- C152 H116 F48 N28 O4 P8 Ru4 -","4","1","","Lam, P.-L.; Lu, G.-L.; Hon, K.-M.; Lee, K.-W.; Ho, C.-L.; Wang, X.; Tang, J. C.-O.; Lam, K.-H.; Wong, R. S.-M.; Kok, S. H.-L.; Bian, Z.-X.; Li, H.; Lee, K. K.-H.; Gambari, R.; Chui, C.-H.; Wong, W.-Y.","Development of ruthenium(ii) complexes as topical antibiotics against methicillin resistant Staphylococcus aureus.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3949","3957","10.1039/c3dt52879k","","","0.71073","MoKα","","0.1239","0.0581","","","0.1314","0.1618","","","","","","0.998","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7029075","12.4477","0.0001","12.4477","0.0001","27.5483","0.0006","90","","90","","90","","4268.48","0.1","105","2","105","2","","","","","","","","5","P 43","P 4cw","78","","","","- C28 H69 P5 Pd2 Zn4 -","- C28 H69 P5 Pd2 Zn4 -","- C112 H276 P20 Pd8 Zn16 -","4","1","","Molon, Mariusz; Gemel, Christian; Fischer, Roland A.","Organogallium- and organozinc-rich palladium and platinum clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3114","3120","10.1039/c3dt53003e","","","0.71073","MoKα","","0.05","0.044","","","0.1072","0.1109","","","","","","1.021","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029612","17.6235","0.0007","17.6235","0.0007","19.6718","0.0015","90","","90","","90","","6109.8","0.6","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","","","- C64 H68 N4 Si4 Zn -","- C64 H68 N4 Si4 Zn -","- C256 H272 N16 Si16 Zn4 -","4","1","","Ishtaiwi, Zakariyya; Rüffer, Tobias; Klaib, Sami; Buschbeck, Roy; Walfort, Bernhard; Lang, Heinrich","Porphyrins with a carbosilane dendrimer periphery as synthetic components for supramolecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7868","7888","10.1039/c3dt53535e","","","0.71073","MoKα","","0.1069","0.0536","","","0.1278","0.1441","","","","","","0.967","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029613","17.654","0.008","17.654","0.008","19.697","0.014","90","","90","","90","","6139","6","183","2","183","2","","","","","","","","5","P 43","P 4cw","78","","","","- C257 H282 Cl2 N16 Si16 -","- C257 H282 Cl2 N16 Si16 -","- C257 H282 Cl2 N16 Si16 -","1","0.25","","Ishtaiwi, Zakariyya; Rüffer, Tobias; Klaib, Sami; Buschbeck, Roy; Walfort, Bernhard; Lang, Heinrich","Porphyrins with a carbosilane dendrimer periphery as synthetic components for supramolecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7868","7888","10.1039/c3dt53535e","","","0.71073","MoKα","","0.1334","0.0557","","","0.1231","0.1434","","","","","","0.911","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7031518","12.1185","0.0011","12.1185","0.0011","24.9106","0.0019","90","","90","","90","","3658.3","0.5","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","","","- C36 H50 N6 O2 Zn2 -","- C36 H50 N6 O2 Zn2 -","- C144 H200 N24 O8 Zn8 -","4","1","","Kong, Wei-Li; Chai, Zuo-Yun; Wang, Zhong-Xia","Synthesis of N,N,O-chelate zinc and aluminum complexes and their catalysis in the ring-opening polymerization of ε-caprolactone and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14470","14480","10.1039/c4dt01364f","","","0.71073","MoKα","","0.0404","0.0311","","","0.0634","0.0654","","","","","","1.041","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7032742","10.5072","0.0003","10.5072","0.0003","31.0528","0.0017","90","","90","","90","","3428.3","0.2","90","2","90","2","","","","","","","","3","P 43","P 4cw","78","","","","- C44 H42 Cd -","- C44 H42 Cd -","- C176 H168 Cd4 -","4","1","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.0547","0.0486","","","0.0884","0.0906","","","","","","1.15","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7036446","8.704","0.005","8.704","0.005","37.5","0.005","90","","90","","90","","2841","2","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C64 H46 Cd2 N16 O9 -","- C64 H44 Cd2 N16 O9 -","- C128 H88 Cd4 N32 O18 -","2","0.5","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Yang, Liu; Shao, Kui-Zhan; Su, Zhong-Min","Spontaneous chiral resolution of a rare 3D self-penetration coordination polymer for sensitive aqueous-phase detection of picric acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18386","18394","10.1039/c5dt03218k","","","0.71069","MoKα","","0.0208","0.0198","","","0.0542","0.0546","","","","","","1.144","","","","has coordinates,has disorder","171264","2020-10-21","18:00:00",""
"7038540","18.2826","0.0015","18.2826","0.0015","20.5735","0.0017","90","","90","","90","","6876.8","1","200","","200","","","","","","","","","5","P 43","P 4cw","78","","","","- C17 H20 N2 O2 Pt -","- C17 H20 N2 O2 Pt -","- C272 H320 N32 O32 Pt16 -","16","4","","Ohno, Keiji; Yamaguchi, Shohei; Nagasawa, Akira; Fujihara, Takashi","Mechanochromism in the luminescence of novel cyclometalated platinum(ii) complexes with α-aminocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5492","5503","10.1039/c5dt04516a","","","0.71073","MoKα","","0.064","0.045","","","0.1053","0.1112","","","","","","0.986","","","","has coordinates","181626","2020-10-21","18:00:00",""
"7042318","9.63469","0.0001","9.63469","0.0001","36.5088","0.0005","90","","90","","90","","3389.01","0.07","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","","","- C41 H26 Cl2 F3 Ir N4 O2 -","- C41 H26 Cl2 F3 Ir N4 O2 -","- C164 H104 Cl8 F12 Ir4 N16 O8 -","4","1","","Takimoto, Kazuyoshi; Watanabe, Yutaka; Mori, Shigeki; Sato, Hisako","Vibrational circular dichroism and single crystal X-Ray diffraction analyses of [Ir(bzq)2(phen)](+) (bzq = benzo[h]quinoline; phen = 1,10-phenanthroline): absolute configuration and role of CH-π interaction in molecular packing.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4397","4402","10.1039/c7dt00606c","","","0.71075","MoKα","","0.0269","0.0244","","","0.0515","0.0523","","","","","","1.061","","","","has coordinates,has disorder","195082","2020-10-21","18:00:00",""
"7042577","11.947","0.0002","11.947","0.0002","41.0063","0.0007","90","","90","","90","","5852.86","0.17","173","2","173","2","","","","","","","","8","P 43","P 4cw","78","","","","- C62 H54 Ag B F4 N2 P4 S2 -","- C62 H54 Ag B F4 N2 P4 S2 -","- C248 H216 Ag4 B4 F16 N8 P16 S8 -","4","1","","Ghisolfi, Alessio; Fliedel, Christophe; de Frémont, Pierre; Braunstein, Pierre","Mono- and polynuclear Ag(i) complexes of N-functionalized bis(diphenylphosphino)amine DPPA-type ligands: synthesis, solid-state structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5571","5586","10.1039/c6dt04755f","","","0.71073","MoKα","","0.1258","0.0571","","","0.125","0.1688","","","","","","1.035","","","","has coordinates","196408","2020-10-21","18:00:00",""
"7043359","16.8107","0.0003","16.8107","0.0003","11.8355","0.0004","90","","90","","90","","3344.71","0.14","180","2","180","2","","","","","","","","4","P 43","P 4cw","78","","","","- C32 H44 Li4 O8 -","- C32 H44 Li4 O8 -","- C128 H176 Li16 O32 -","4","1","","Gebauer, Ireen; Gräsing, Daniel; Matysik, Jörg; Zahn, Stefan; Zeckert, Kornelia","Penta- and hexaorganostannate(iv) complexes based on O-heterocyclic ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01336A","","x-ray","0.71073","MoKα","","0.1781","0.076","","","0.1234","0.1591","","","","","","1.048","","","","has coordinates,has disorder","197902","2020-10-21","18:00:00",""
"7043798","16.181","0.004","16.181","0.003","12.989","0.003","90","","90","","90","","3400.8","1.3","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C36 H56 B N3 O -","- C36 H56 B N3 O -","- C144 H224 B4 N12 O4 -","4","1","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Montero-Rama, María del Pilar; Villaseñor, Elena; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Insertion reactions of small unsaturated molecules in the N‒B bonds of boron guanidinates","Dalton Trans.","2017","","","","","10.1039/C7DT02081C","","","0.71069","MoKα","","0.0707","0.0463","","","0.0946","0.1043","","","","","","1.078","","","","has coordinates","199029","2020-10-21","18:00:00",""
"7046708","9.3602","0.0001","9.3602","0.0001","32.5285","0.0005","90","","90","","90","","2849.93","0.06","220","2","220","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H26 Cl2 Fe N6 O8 -","- C24 H26 Cl2 Fe N6 O8 -","- C96 H104 Cl8 Fe4 N24 O32 -","4","1","","García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio","Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9156","9163","10.1039/c8dt01425f","","","0.71073","MoKα","","0.0593","0.0441","","","0.0873","0.0973","","","","","","1.008","","","","has coordinates","229318","2020-10-21","18:00:00",""
"7046709","9.2891","0.0001","9.2891","0.0001","31.9712","0.0004","90","","90","","90","","2758.71","0.05","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H26 Cl2 Fe N6 O8 -","- C24 H26 Cl2 Fe N6 O8 -","- C96 H104 Cl8 Fe4 N24 O32 -","4","1","","García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio","Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9156","9163","10.1039/c8dt01425f","","","0.71073","MoKα","","0.0354","0.0342","","","0.0837","0.0845","","","","","","1.072","","","","has coordinates","229318","2020-10-21","18:00:00",""
"7046710","9.3827","0.0001","9.3827","0.0001","32.7021","0.0006","90","","90","","90","","2878.93","0.07","300","2","300","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H26 Cl2 Fe N6 O8 -","- C24 H26 Cl2 Fe N6 O8 -","- C96 H104 Cl8 Fe4 N24 O32 -","4","1","","García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio","Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9156","9163","10.1039/c8dt01425f","","","0.71073","MoKα","","0.0839","0.0523","","","0.1077","0.1271","","","","","","1.008","","","","has coordinates","229318","2020-10-21","18:00:00",""
"7052964","11.8869","0.0002","11.8869","0.0002","12.6006","0.0003","90","","90","","90","","1780.44","0.06","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H20 N P Se -","- C20 H20 N P Se -","- C80 H80 N4 P4 Se4 -","4","1","","Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.","N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere","New Journal of Chemistry","2012","36","11","2280","","10.1039/c2nj40646b","","","1.54184","CuKα","","0.0296","0.0292","","","0.0783","0.0786","","","","","","1.059","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7054572","10.1585","0.0004","10.1585","0.0004","19.0174","0.0005","90","","90","","90","","1962.5","0.12","100","1","100","1","","","","","","","","5","P 43","P 4cw","78","","","","- C19 H27 F N2 O4 -","- C19 H27 F N2 O4 -","- C76 H108 F4 N8 O16 -","4","1","","Hassoun, Ammar; Grison, Claire M.; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","Conformational preferences in the β-peptide oligomers of cis-2-amino-1-fluorocyclobutane-1-carboxylic acid","New J. Chem.","2015","39","5","3270","","10.1039/C4NJ01929F","","x-ray","0.71073","MoKα","","0.0348","0.0321","","","0.0833","0.0851","","","","","","1.028","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7058500","10.60766","0.00015","10.60766","0.00015","34.4981","0.0008","90","","90","","90","","3881.81","0.12","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C31 H52 N4 Ni2 O12 S2 -","- C31 H52 N4 Ni2 O12 S2 -","- C124 H208 N16 Ni8 O48 S8 -","4","1","","Kumar, Rakesh; Mutreja, Vishal; Sharma, Gyaneshwar; Kumar, Sanjeev; Ali, Anzar; Mehta, S. K.; Venugopalan, P.; Kataria, Ramesh; Sahoo, Subash Chandra","The role of a weakly coordinating thioether group in ligation controlled molecular self-assemblies and their inter-conversions in Ni(ii) complexes of l-methionine derived ligand","New Journal of Chemistry","2019","43","28","11222","","10.1039/C9NJ02573A","","x-ray","0.71073","MoKα","","0.0368","0.0317","","","0.0754","0.0871","","","","","","1.121","","","","has coordinates","224677","2020-10-21","18:00:00",""
"7060417","9.125","0.002","9.125","0.002","44.906","0.012","90","","90","","90","","3739.1","1.5","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","tpyZn","","","- C40 H32 N10 O8 Zn -","- C40 H32 N10 O8 Zn -","- C160 H128 N40 O32 Zn4 -","4","1","","Jiang, Qin; Yang, Xinda; Xiang, Pan; Dudek, Marta; Matczyszyn, Katarzyna; Samoc, Marek; Tian, Xiaohe; Zhang, Qiong; Luo, Yuhui; Wang, Daqi; Shi, Pengfei","Self-assembled heterometallic complexes showing enhanced two-photon absorption and their distribution in living cells","New Journal of Chemistry","2021","45","11","4994","5001","10.1039/D0NJ05219A","","","0.71073","MoKα","","0.0458","0.0388","","","0.0875","0.0906","","","","","","1.018","","","","has coordinates","263811","2021-04-05","15:11:48",""
"7063124","7.3061","0.0001","7.3061","0.0001","29.5083","0.0006","90","","90","","90","","1575.13","0.04","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","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","","0.0396","0.0376","","","0.0915","0.093","","","","","","1.105","","","","has coordinates","293207","2024-07-05","17:41:18",""
"7101275","10.986","0.005","10.986","0.005","13.853","0.005","90","","90","","90","","1671.9","1.2","153","2","153","2","","","","","","","","3","P 43","P 4cw","78","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","1","","A.Cowley; Nicholas Hill; Jennifer Moore; Gregor Reeske; Kalyan Vasudevan","Facile Routes to Alkyl-BIAN ligands","Chemical Communications","2006","","27","","","10.1039/b606390j","","","0.71069","MoKα","","0.0817","0.0465","","","0.1008","0.1342","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102967","14.57","0.0001","14.57","0.0001","25.41","0.0002","90","","90","","90","","5394.16","0.07","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C54 H87 Hf N O4 -","- C53.97 H86.93 Hf N O4 -","- C215.88 H347.72 Hf4 N4 O16 -","4","1","","Chmura, Amanda J; Davidson, Matthew G; Frankis, Catherine J; Jones, Matthew D; Lunn, Matthew D","Highly active and stereoselective zirconium and hafnium alkoxide initiators for solvent-free ring-opening polymerization of rac-lactide.","Chemical communications (Cambridge, England)","2008","","11","1293","1295","10.1039/b718678a","","","0.71073","MoKα","","0.0264","0.0228","","","0.0504","0.0521","","","","","","1.064","","","","has coordinates,has disorder","180131","2020-10-21","18:00:00",""
"7103382","18.2391","0.0019","18.2391","0.0019","22.795","0.004","90","","90","","90","","7583","1.7","120","","120","","","","","","","","","7","P 43","P 4cw","78","(LZn3La(OAc)3(H2O)(MeOH)) 3CHCl3 MeOH","","","- C61 H64 Cl9 La N6 O21 Zn3 -","- C61 H64 Cl9 La N6 O21 Zn3 -","- C244 H256 Cl36 La4 N24 O84 Zn12 -","4","1","","Akine, Shigehisa; Matsumoto, Takashi; Nabeshima, Tatsuya","Spontaneous formation of a chiral supramolecular superhelix in the crystalline state using a single-stranded tetranuclear metallohelicate.","Chemical communications (Cambridge, England)","2008","","38","4604","4606","10.1039/b810426c","","","0.71069","MoKα","","0.0415","0.0386","","","0.1001","0.1011","","","","","","1.024","","","","has coordinates,has disorder","180136","2020-10-21","18:00:00",""
"7103809","14.581","0.0001","14.581","0.0001","25.419","0.0002","90","","90","","90","","5404.22","0.07","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C54 H87 N O4 Zr -","- C54 H86 N O4 Zr -","- C216 H344 N4 O16 Zr4 -","4","1","","Davidson, Matthew G.; Doherty, Cheryl L.; Johnson, Andrew L.; Mahon, Mary F.","Isolation and characterisation of transition and main group metal complexes supported by hydrogen-bonded zwitterionic polyphenolic ligands","Chemical Communications (Cambridge, United Kingdom)","2003","","15","1832","1833","10.1039/b303618a","","","0.71073","MoKα","","0.045","0.0364","","","0.0902","0.0958","","","","","","1.018","","","","has coordinates,has disorder","210401","2020-10-21","18:00:00",""
"7104200","7.5953","0.0001","7.5953","0.0001","25.2629","0.0005","90","","90","","90","","1457.38","0.04","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","","","","- C22 H14 O2 -","- C22 H14 O2 -","- C88 H56 O8 -","4","1","","Asano, Natsuyo; Harada, Takunori; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko","Supramolecular chirality measured by diffuse reflectance circular dichroism spectroscopy.","Chemical communications (Cambridge, England)","2009","34","8","899","901","10.1039/b821686j","","","0.71073","MoKα","","0.0453","0.045","","","0.1277","0.1281","","","","","","1.081","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104201","7.5714","0.0003","7.5714","0.0003","26.8898","0.0018","90","","90","","90","","1541.49","0.13","130","2","130","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H13 Cl O2 -","- C22 H13 Cl O2 -","- C88 H52 Cl4 O8 -","4","1","","Asano, Natsuyo; Harada, Takunori; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko","Supramolecular chirality measured by diffuse reflectance circular dichroism spectroscopy.","Chemical communications (Cambridge, England)","2009","34","8","899","901","10.1039/b821686j","","","0.71073","MoKα","","0.0571","0.0548","","","0.143","0.1451","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105485","9.8608","0.0002","9.8608","0.0002","24.3886","0.0012","90","","90","","90","","2371.43","0.14","150","","150","","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H34 N2 O6 -","- C22 H34 N2 O6 -","- C88 H136 N8 O24 -","4","1","","Hassan, Hani Mutlak A; Brown, Fraser K","A convenient approach to acyclic unsaturated amino acids via ring-closing metathesis.","Chemical communications (Cambridge, England)","2010","46","17","3013","3015","10.1039/c003138k","","","0.71073","MoKα","","0.0926","0.0529","","0.0865","0.0681","0.0865","","","","","","0.9639","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106217","11.5737","0.0003","11.5737","0.0003","11.5001","0.0005","90","0","90","0","90","0","1540.44","0.09","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","","","","- C17 H10 N6 -","- C17 H10 N6 -","- C68 H40 N24 -","4","1","","Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; Franziska Schoenebeck; W. Bernd Schweizer; Bruno Bernet; Francois Diederich","Expanding the chemical space for push-pull chromophores by non-concerted [2+2] and [4+2] cycloadditions: access to a highly functionalized 6,6-dicyanofulvene with an intense, low-energy charge-transfer band;","Chem.Commun.","2011","47","","4520","","10.1039/c1cc10247h","","","0.71073","MoKα","","0.0566","0.0509","","","0.1492","0.1535","","","","","","1.228","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106370","14.642","0.002","14.642","0.002","14.333","0.003","90","","90","","90","","3072.8","0.9","200","2","200","2","","","","","","","","5","P 43","P 4cw","78","","","","- C15 H9 N0 O7 Yb -","- C15 H9 O7 Yb -","- C60 H36 O28 Yb4 -","4","1","","Zhiyong Guo; Hui Xu; Shengqun Su; Jianfeng Cai; Song Dang; Shengchang Xiang; Guodong Qian; Hongjie Zhang; Michael O'Keeffe; Banglin Chen","A robust near infrared luminescent ytterbium metal-organic framework for sensing of small molecules","Chem.Commun.","2011","47","","5551","","10.1039/c1cc10897b","","","0.71073","MoKα","","0.0485","0.0418","","","0.113","0.1157","","","","","","1.005","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7107727","8.023","0.0009","8.023","0.0009","13.83","0.0014","90","","90","","90","","890.22","0.17","223","","223","","","","","","","","","6","P 43","P 4cw","78","","","","- C5 H8 F3 N O3 S -","- C5 H8 F3 N O3 S -","- C20 H32 F12 N4 O12 S4 -","4","1","","Masahito Ochiai; Shinichi Yamane; Md. Mahbubul Hoque; Motomichi Saito; Kazunori Miyamoto","Metal-free a-CH amination of ethers with hypervalent sulfonylimino-lamda^3^-bromane that acts as an active nitrenoid","Chem.Commun.","2012","","","5280","","10.1039/c2cc31523h","","","0.71075","MoKα","","","0.0312","","","","0.0705","","","","","","1.147","","","","has coordinates,has disorder","295965","2024-11-17","17:32:33",""
"7109160","12.0129","0.0002","12.0129","0.0002","15.8085","0.0003","90","","90","","90","","2281.32","0.07","173","2","173","2","","","","","","","","8","P 43","P 4cw","78","","","","- C17 H26 Cl2 Cu N2 O2 S2 Si -","- C17 H26 Cl2 Cu N2 O2 S2 Si -","- C68 H104 Cl8 Cu4 N8 O8 S8 Si4 -","4","1","","Kyung Hwan Park; Tae Hwan Noh; Yoon-Bo Shim; Ok-Sang Jung","Construction of right-handed-, left-handed-, and racemic helical coordination polymers. Enantioselective recognition using chiral helical crystals","Chem.Commun.","2013","49","","4000","","10.1039/c3cc00005b","","","0.71073","MoKα","","0.064","0.05","","","0.1237","0.1308","","","","","","1.008","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7110008","9.3837","0.0004","9.3837","0.0004","30.344","0.003","90","","90","","90","","2671.9","0.3","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C19 H34 Cl N5 O12 Zn -","- C19 H24 Cl N5 O12 Zn -","- C76 H96 Cl4 N20 O48 Zn4 -","4","1","","Yuehong Wen; Tianlu Sheng; Shengmin Hu; Xiao Ma; Chunhong Tan; Yanlong Wang; Zhihao Sun; Zhenzhen Xue; Xintao Wu","Intercalation of chiral molecules into layered metal-organic frameworks: a strategy to synthesize homochiral MOFs","Chem.Commun.","2013","49","","10644","","10.1039/c3cc46230g","","","0.71073","MoKα","","0.0738","0.0626","","","0.1589","0.1691","","","","","","1.062","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7111702","14.0646","0.0004","14.0646","0.0004","21.5443","0.0017","90","","90","","90","","4261.7","0.4","200","2","200","2","","","","","","","","3","P 43","P 4cw","78","tetraspirocyclooctyl","","","- C48 H64 S4 -","- C48 H64 S4 -","- C192 H256 S16 -","4","1","","Lee, Gon-Ann; Wang, Wen-Chieh; Shieh, Minghuey; Kuo, Ting-Shen","A novel synthesis of calix[4]thiophenes and calix[4]furans","Chemical Communications","2010","46","27","5009","5011","10.1039/c0cc00437e","","","0.71073","MoKα","","0.1234","0.0801","","","0.1854","0.2124","","","","","","1.082","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7112849","9.339","0.002","9.339","0.002","34.336","0.006","90","","90","","90","","2994.7","1","123.1","","","","","","","","","","","6","P 43","P 4cw","78","","","","- C36 H30 Cl F N2 O3 -","- C36 H30 Cl F N2 O3 -","- C144 H120 Cl4 F4 N8 O12 -","4","1","","Shintani, Ryo; Takatsu, Keishi; Hayashi, Tamio","Copper-catalyzed asymmetric addition of arylboronates to isatins: a catalytic cycle involving alkoxocopper intermediates","Chemical Communications (Cambridge, United Kingdom)","2010","46","36","6822","6824","10.1039/c0cc01635g","","","0.71075","MoKα","","","0.0477","","","","0.058","","","","","","1.004","","","","has coordinates","275228","2022-05-08","22:40:43",""
"7114240","14.4663","0.001","14.4663","0.001","16.2622","0.0016","90","","90","","90","","3403.3","0.5","193","2","193","2","","","","","","","","7","P 43","P 4cw","78","","","","- C30.58 H34 Cl1.75 Fe2 N4 O4 S2 -","- C30.5843 H34 Cl1.7529 Fe2 N4 O4 S2 -","- C122.337 H136 Cl7.0116 Fe8 N16 O16 S8 -","4","1","","Bediako-Amoa, Irene; Silerova, Roberta; Kraatz, Heinz-Bernhard","Ferrocenoyl glycylcystamine: organization into a supramolecular helicate structure","Chemical Communications","2002","","20","2430","","10.1039/b206647e","","","0.71073","MoKα","","0.2351","0.0635","","","0.0929","0.1277","","","","","","0.845","","","","has coordinates,has disorder","180256","2020-10-21","18:00:00",""
"7116134","10.4166","0.0003","10.4166","0.0003","28.8034","0.0015","90","","90","","90","","3125.3","0.2","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H48 N2 O4 Zr -","- C32 H48 N2 O4 Zr -","- C128 H192 N8 O16 Zr4 -","4","1","","Matthew D. Jones; Stuart L. Hancock; Paul McKeown; Pascal M. Schafer; Antoine Buchard; Lynne H. Thomas; Mary F. Mahon; John P. Lowe","Zirconium complexes of bipyrrolidine derived salan ligands for the isoselective polymerisation of rac-lactide","Chem.Commun.","2014","50","","15967","","10.1039/C4cc07871C","","","0.71073","MoKα","","0.0412","0.0391","","","","0.0735","","","","","","0.936","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7120312","15.3395","0.0002","15.3395","0.0002","16.7305","0.0006","90","","90","","90","","3936.69","0.16","293","2","293","2","","","","","","","Synthesis","6","P 43","P 4cw","78","","Unknown","","- C42 H54 Cl Co N2 O2 -","- C42 H54 Cl Co N2 O2 -","- C168 H216 Cl4 Co4 N8 O8 -","4","1","","Mukherjee, Chandan; Paul, Ganesh Chandra; Ghorai, Samir","Monoradical-Containing Four-Coordinate Co(III) Complexes: Homolytic S-S, Se-Se Bond Cleavage and Catalytic Isocyanate to Urea Conversion Under Sunlight","Chem. Commun.","2017","","","","","10.1039/C7CC03486E","","x-ray","0.71073","MoKα","","0.0542","0.0448","","","0.1046","0.1135","","","","","","1.043","","","","has coordinates","198019","2020-10-21","18:00:00",""
"7121333","11.1348","0.0002","11.1348","0.0002","16.3745","0.0005","90","","90","","90","","2030.17","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 43","P 4cw","78","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C84 H104 N8 O12 S4 -","4","1","","Feng, Jie; Ma, Peng-Ju; Zeng, Yong-Ming; Xu, Yan-Jun; Lu, Chong-Dao","Construction of α-methoxyimidoyl ketonitrones via phosphite-mediated addition of α-keto N-tert-butanesulfinyl imidates to nitrosoarenes.","Chemical communications (Cambridge, England)","2018","54","23","2882","2885","10.1039/c8cc00345a","","x-ray","0.71073","MoKα","","0.0511","0.0417","","","0.0774","0.0828","","","","","","1.053","","","","has coordinates","228453","2020-10-21","18:00:00",""
"7123341","13.4449","0.0007","13.4449","0.0007","24.078","0.002","90","","90","","90","","4352.5","0.5","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C16 H35 N7 Ni O6 -","- C16 H35 N7 Ni O6 -","- C128 H280 N56 Ni8 O48 -","8","2","","Zhang, Lu-Hua; Yu, Fengshou; Shi, Yumeng; Li, Fei; Li, Henan","Base-Enhanced Electrochemical Water Oxidation by a Nickel Complex in Neutral Aqueous Solution","Chemical Communications","2019","","","","","10.1039/C9CC01865D","","","0.71073","MoKα","","0.0466","0.0401","","","0.0968","0.0994","","","","","","1.03","","","","has coordinates","214819","2020-10-21","18:00:00",""
"7123871","23.6571","0.0007","23.6571","0.0007","31.1834","0.0011","90","","90","","90","","17452.1","1","100","2","100","","","","","","","","","5","P 43","P 4cw","78","","","","- C160 H146 Cu4 N48 O33 -","- C160 H146 Cu4 N45 O24 -","- C640 H584 Cu16 N180 O96 -","4","1","","Hegarty, Isabel; Dalton, Hannah L.; Henwood, Adam; Hawes, Chris Samuel; Gunnlaugsson, Thorfinnur","Unexpected linkage isomerism in chiral tetranuclear bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) grids","Chemical Communications","2019","","","","","10.1039/C9CC03316E","","","1.54178","CuKα","","0.1002","0.0752","","","0.2006","0.2343","","","","","","1.011","","","","has coordinates,has disorder","217087","2020-10-21","18:00:00",""
"7124513","10.4323","0.0004","10.4323","0.0004","14.3109","0.0008","90","","90","","90","","1557.5","0.12","299","2","299.11","","","","","","","","","5","P 43","P 4cw","78","","","","- C9 H2 Eu N O7 -","- C9 H4 Eu N O7 -","- C36 H16 Eu4 N4 O28 -","4","1","","Wu, Dai; Zhang, Zhe; Chen, Xiwen; Meng, Lingkun; Li, Chunguang; Li, Guanghua; Chen, Xiao-Bo; Shi, Zhan; Feng, Shouhua","A non-luminescent Eu-MOF-based “turn-on” sensor towards anthrax biomark through single-crystal to single-crystal phase transition","Chemical Communications","2019","","","","","10.1039/C9CC08206A","","","0.71073","MoKα","","0.0509","0.0397","","","0.1135","0.1239","","","","","","0.976","","","","has coordinates","231016","2020-10-21","18:00:00",""
"7124801","12.339","0.0003","12.339","0.0007","18.0683","0.0007","90","","90","","90","","2750.9","0.2","173.15","","173.15","","","","","","","","","5","P 43","P 4cw","78","","","","- C31 H29 Br2 N O4 -","- C31 H29 Br2 N O4 -","- C124 H116 Br8 N4 O16 -","4","1","","Li, Meng; Lu, Hai-Yan; Zhang, Chao; Shi, Lin; Tang, Zhiyong; Chen, Chuan-Feng","Helical aromatic imide based enantiomers with full-color circularly polarized luminescence.","Chemical communications (Cambridge, England)","2016","52","64","9921","9924","10.1039/c6cc04674f","","","0.71073","MoKα","","0.0585","0.0534","","","0.127","0.1321","","","","","","1.056","","","","has coordinates","234242","2020-10-21","18:00:00",""
"7126622","11.7593","0.0003","11.7593","0.0003","63.07","0.003","90","","90","","90","","8721.4","0.5","114.6","0.3","114.6","0.3","","","","","","","","5","P 43","P 4cw","78","","","","- C81 H113 Br N19 O10 -","- C81 H113 Br N18 O11 -","- C324 H452 Br4 N72 O44 -","4","1","","Milbeo, Pierre; Simon, Matthieu; Didierjean, Claude; Wenger, Emmanuel; Aubert, Emmanuel; Martinez, Jean; Amblard, Muriel; Calmès, Monique; Legrand, Baptiste","A bicyclic unit reversal to stabilize the 12/14-helix in mixed homochiral oligoureas.","Chemical communications (Cambridge, England)","2020","56","57","7921","7924","10.1039/d0cc02902e","","","1.54184","CuKα","","0.1129","0.0986","","","0.2401","0.2471","","","","","","1.086","","","","has coordinates","254889","2020-10-21","18:00:00",""
"7127227","19.3426","0.0001","19.3426","0.0001","43.5392","0.0005","90","","90","","90","","16289.6","0.2","150.01","0.1","150","0.1","","","","","","","","6","P 43","P 4cw","78","","","","- C42 H38 Cl2 Co N6 O12 -","- C42 H38 Cl2 Co N6 O12 -","- C672 H608 Cl32 Co16 N96 O192 -","16","4","","Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Ruiz-García, Rafael; Cano, Joan","Electroswitching of the single-molecule magnet behaviour in an octahedral spin crossover cobalt(ii) complex with a redox-active pyridinediimine ligand.","Chemical communications (Cambridge, England)","2020","56","81","12242","12245","10.1039/d0cc03357j","","","0.71073","MoKα","","0.0654","0.0505","","","0.1135","0.1236","","","","","","0.978","","","","has coordinates","260626","2021-01-07","04:37:04",""
"7131129","15.86558","0.00018","15.86558","0.00018","6.49312","0.00013","90","","90","","90","","1634.43","0.04","160","0.1","160","0.1","","","","","","","","4","P 43","P 4cw","78","","Isosorbide mononitrate","","- C6 H9 N O6 -","- C6 H9 N O6 -","- C48 H72 N8 O48 -","8","2","","Lin, Jiawei; Cao, Yuechao; Liu, Yanbo; Li, Maolin; Chen, Yifu; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Structural origins of two-dimensional elastic bending in a nonaromatic organic molecular crystal.","Chemical communications (Cambridge, England)","2023","59","5","619","622","10.1039/d2cc05169a","","x-ray","1.54184","CuKα","","0.0277","0.0263","","","0.0684","0.069","","","","","","1.068","","","","has coordinates","281326","2023-03-04","17:42:30",""
"7132787","19.7601","0.0008","19.7601","0.0008","19.9303","0.0011","90","","90","","90","","7782","0.6","190","","190","","","","","","","","","5","P 43","P 4cw","78","","","","- C76 H65 Cu2 N20 O16.5 -","- C76 H65.0008 Cu2 N20 O16.5 -","- C304 H260.003 Cu8 N80 O66 -","4","1","","Qiu, Zhao-Feng; Wang, Peng; Zhang, Xiao-Yu; Chen, Jia-Qi; Zhang, Kai-Yang; Lu, Xiang-Yu; Zhao, Yue; Sun, Wei-Yin","Supramolecular assemblies of Cu(II) with a tetraphenylethene-imidazole ligand for tuning photocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2024","60","16","2204","2207","10.1039/d3cc05514k","","","1.34139","GaKα","","0.0976","0.0786","","","0.1978","0.2061","","","","","","1.052","","","","has coordinates,has disorder","290039","2024-03-04","00:13:05",""
"7151841","11.95","0.002","11.95","0.002","21.08","0.006","90","","90","","90","","3010.3","1.1","297","2","297","2","","","","","","","","4","P 43","P 4cw","78","","","","- C26 H18 N4 O2 -","- C26 H18 N4 O2 -","- C104 H72 N16 O8 -","4","1","","Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu","Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.","Organic & biomolecular chemistry","2011","9","8","2618","2621","10.1039/c1ob00026h","","x-ray","0.71073","MoKα","","0.0838","0.077","","","0.2107","0.2197","","","","","","1.101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7152534","9.0853","0.0007","9.0853","0.0007","23.592","0.004","90","","90","","90","","1947.3","0.4","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H20 Cl N O5 -","- C20 H20 Cl N O5 -","- C80 H80 Cl4 N4 O20 -","4","1","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.0592","","","0.1586","0.1862","","","","","","1.045","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152733","17.0527","0.0007","17.0527","0.0007","8.4671","0.0007","90","","90","","90","","2462.2","0.2","110","2","110","2","","","","","","","","4","P 43","P 4cw","78","","","","- C26 H31 N2 O6 -","- C26 H31 N2 O6 -","- C104 H124 N8 O24 -","4","1","","Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis of chiral bis-oxazines: a preliminary assessment of helical conformational framework.","Organic & biomolecular chemistry","2012","10","43","8579","8582","10.1039/c2ob26669e","","","0.71073","MoKα","","0.0751","0.0669","","","0.1597","0.165","","","","","","1.081","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152856","16.17422","0.00015","16.17422","0.00015","7.32793","0.00011","90","","90","","90","","1917.03","0.04","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C19 H27 N O5 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","1.54184","CuKα","","0.044","0.0374","","","0.0947","0.0987","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7153465","7.6223","0.0003","7.6223","0.0003","23.186","0.002","90","","90","","90","","1347.09","0.14","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H14 N2 S -","- C16 H14 N2 S -","- C64 H56 N8 S4 -","4","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Ando, Masaru; Sasahara, Yuich; Kamataki, Norifumi; Ohta, Mai; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Generation and amplification of optical activity of axially chiral N-(1-naphthyl)-2(1H)-pyrimidinethione by crystallization.","Organic & biomolecular chemistry","2010","8","23","5418","5422","10.1039/c0ob00262c","","","0.71073","MoKα","","0.0467","0.0384","","","0.0892","0.0938","","","","","","1.034","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153513","12.0209","0.0008","12.0209","0.0008","25.881","0.003","90","","90","","90","","3739.9","0.6","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C37 H38 N6 O7 -","- C37 H38 N6 O7 -","- C148 H152 N24 O28 -","4","1","","Pérez-Balado, Carlos; de Lera, Angel R.","Concise total synthesis and structural revision of (+)-pestalazine B.","Organic & biomolecular chemistry","2010","8","22","5179","5186","10.1039/c0ob00531b","","","0.71073","MoKα","","0.1265","0.0613","","","0.1525","0.1936","","","","","","1.048","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7155768","14.9885","0.0002","14.9885","0.0002","20.7329","0.0007","90","","90","","90","","4657.75","0.18","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C9 H8 F7 N3 O -","- C9 H8 F7 N3 O -","- C144 H128 F112 N48 O16 -","16","4","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.1194","0.0739","","","0.1619","0.188","","","","","","0.986","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155777","13.727","0.0003","13.727","0.0003","10.9453","0.0003","90","","90","","90","","2062.43","0.09","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C24 H27 N3 O2 -","- C24 H27 N3 O2 -","- C96 H108 N12 O8 -","4","1","","Wuensch, Bernhard; Wittig, Christian; Schepmann, Dirk; Soeberdt, Michael; Daniliuc, Constantin Gabriel","Stereoselective synthesis of conformationally restricted KOR agonists based on the 2,5-diazabicyclo[2.2.2]octane scaffold","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01530E","","","1.54178","CuKα","","0.0267","0.026","","","0.0636","0.0643","","","","","","1.103","","","","has coordinates","198822","2020-10-21","18:00:00",""
"7157301","10.5551","0.0008","10.5551","0.0008","18.9321","0.0014","90","","90","","90","","2109.2","0.3","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Di Silvio, Sergio; Bologna, Fabio; Milli, Lorenzo; Giuri, Demetra; Zanna, Nicola; Castellucci, Nicola; Monari, Magda; Calvaresi, Matteo; Górecki, Marcin; Angelici, Gaetano; Tomasini, Claudia; Pescitelli, Gennaro","Elusive π-helical peptide foldamers spotted by chiroptical studies.","Organic & biomolecular chemistry","2020","18","5","865","877","10.1039/c9ob02313e","","","0.71073","MoKα","","0.0914","0.0654","","","0.1686","0.1841","","","","","","1.034","","","","has coordinates","249029","2020-10-21","18:00:00",""
"7157863","12.4218","0.00014","12.4218","0.00014","9.8189","0.0002","90","","90","","90","","1515.07","0.04","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C76 H52 N4 O20 -","4","1","","Kostenko, Alexey A.; Bykova, Kseniya A.; Kucherenko, Alexander S.; Komogortsev, Andrey N.; Lichitsky, Boris V.; Zlotin, Sergei G.","2-Nitroallyl carbonate-based green bifunctional reagents for catalytic asymmetric annulation reactions.","Organic & biomolecular chemistry","2021","19","8","1780","1786","10.1039/d0ob02283g","","","0.71073","MoKα","","0.0222","0.0205","","","0.0526","0.0541","","","","","","1.048","","","","has coordinates","263830","2021-04-05","15:16:01",""
"7157996","16.2391","0.0004","16.2391","0.0004","5.8098","0.0002","90","","90","","90","","1532.09","0.08","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0294","0.0287","","","0.0725","0.0732","","","","","","1.062","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158251","10.7269","0.0001","10.7269","0.0001","14.5422","0.0003","90","","90","","90","","1673.32","0.04","170","0.1","170","0.1","","","","","","","","5","P 43","P 4cw","78","","","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","","Li, Wenzhong; Wang, Yu; Qi, Huijing; Shi, Ran; Li, Jiazhu; Chen, Si; Xu, Xin-Ming; Wang, Wei-Li","Diverse privileged <i>N</i>-polycyclic skeletons accessed from a metal-free cascade cyclization reaction.","Organic & biomolecular chemistry","2021","19","37","8086","8095","10.1039/d1ob01206a","","x-ray","0.71073","MoKα","","0.033","0.0279","","","0.056","0.0574","","","","","","1.06","","","","has coordinates","269776","2021-10-06","16:14:14",""
"7159034","7.9818","0.0009","7.9818","0.0009","15.057","0.002","90","","90","","90","","959.3","0.2","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C9 H14 N O2 -","- C9 H14 N O2 -","- C36 H56 N4 O8 -","4","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","1.54184","CuKα","","0.0495","0.0491","","","0.1073","0.1078","","","","","","1.142","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159036","7.8822","0.0019","7.8822","0.0019","16.118","0.004","90","","90","","90","","1001.4","0.4","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C9 H14 N O3 -","- C9 H14 N O3 -","- C36 H56 N4 O12 -","4","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0693","0.0393","","","0.0638","0.0705","","","","","","0.949","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159529","11.7405","0.0007","11.7405","0.0007","16.9107","0.0015","90","","90","","90","","2331","0.3","298","2","298","","","","","","","","","5","P 43","P 4cw","78","","","","- C25 H21 N3 O4 S -","- C25 H21 N3 O4 S -","- C100 H84 N12 O16 S4 -","4","1","","Xue, Aiqi; Wei, Shiqiang; Wei, Xingfu; Huang, Yue; Qu, Jingping; Wang, Baomin","Squaramide-catalyzed asymmetric regioselective allylic alkylation of 4-aminopyrazolones with Morita-Baylis-Hillman carbonates.","Organic & biomolecular chemistry","2023","21","35","7173","7179","10.1039/d3ob01098h","","","0.71073","MoKα","","0.0895","0.058","","","0.1527","0.1722","","","","","","1.017","","","","has coordinates","286798","2023-10-06","00:47:26",""
"7159709","8.6773","0.0001","8.6773","0.0001","17.892","0.0005","90","","90","","90","","1347.19","0.04","93","","93","","","","","","","","","4","P 43","P 4cw","78","","(S)-3-[(R)-Bromo(4-methylphenyl)methyl]isobenzofuran-1(3H)-one","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C64 H52 Br4 O8 -","4","1","","Sugano, Masayuki; Inokuma, Tsubasa; Yamaoka, Yousuke; Yamada, Ken-Ichi","5-<i>exo</i>-Selective asymmetric bromolactonization of stilbenecarboxylic acids catalyzed by phenol-bearing chiral thiourea.","Organic & biomolecular chemistry","2024","22","9","1765","1769","10.1039/d3ob01895d","","x-ray","1.54184","CuKα","","0.0637","0.0635","","","0.1655","0.1657","","","","","","1.101","","","","has coordinates","290276","2024-03-04","20:43:34",""
"7159792","17.7179","0.0007","17.7179","0.0007","81.727","0.003","90","","90","","90","","25656.1","1.7","152.41","","152.41","","","","","","","","","4","P 43","P 4cw","78","","","","- C56 H97 N9 O12 -","- C56 H97 N9 O12 -","- C896 H1552 N144 O192 -","16","4","","Patel, Alpesh Ramanlal; Lawer, Aggie; Bhadbhade, Mohan; Hunter, Luke","The influence of backbone fluorination on the helicity of α/γ-hybrid peptides","Organic & Biomolecular Chemistry","2024","22","8","1608","1612","10.1039/D3OB02016A","","","0.71073","MoKα","","0.1274","0.0748","","","0.1913","0.2284","","","","","","1.016","","","","has coordinates,has disorder","290258","2024-03-04","20:40:34",""
"7200749","10.3457","0.0003","10.3457","0.0003","21.8653","0.0005","90","","90","","90","","2340.32","0.11","123","2","123","2","","","","","","","synthesis as described","5","P 43","P 4cw","78","","","","- C18 H18 I2 N6 O8 -","- C18 H18 I2 N6 O8 -","- C72 H72 I8 N24 O32 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Hierarchical halogen bonding induces polymorphism","CrystEngComm","2009","11","5","750","","10.1039/b821085n","","x-ray","0.71073","MoKα","","0.0294","0.0258","","","0.0492","0.0505","","","","","","1.045","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7201867","7.9539","0.0009","7.9539","0.0009","13.189","0.003","90","","90","","90","","834.4","0.2","273","2","273","2","","","","","","","","4","P 43","P 4cw","78","","","","- C4 H10 Mn O8 -","- C4 H10 Mn O8 -","- C16 H40 Mn4 O32 -","4","1","","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Structural transformations from a 1-D chain to two 3-D supramolecular isomers via crystal disassembly and reassembly","CrystEngComm","2008","10","5","472","","10.1039/b717297d","","","0.71073","MoKα","","0.038","0.0375","","","0.0966","0.097","","","","","","1.138","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7202283","17.7258","0.0004","17.7258","0.0004","33.5699","0.0008","90","","90","","90","","10547.8","0.4","173","2","173","2","","","","","","","","5","P 43","P 4cw","78","","","","- C96.5 H142 Br N O24 -","- C96.5 H142 Br N O24 -","- C386 H568 Br4 N4 O96 -","4","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.1359","0.0938","","","0.2376","0.2768","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205481","9.3702","0.0006","9.3702","0.0006","14.7404","0.0013","90","","90","","90","","1294.22","0.16","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C10 H16 Co N2 O7 -","- C10 H16 Co N2 O7 -","- C40 H64 Co4 N8 O28 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0228","0.0217","","","0.0552","0.0554","","","","","","1.107","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205483","9.3479","0.0002","9.3479","0.0002","14.7797","0.0003","90","","90","","90","","1291.5","0.05","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C10 H16 N2 O7 Zn -","- C10 H16 N2 O7 Zn -","- C40 H64 N8 O28 Zn4 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0348","0.0278","","","0.0441","0.0454","","","","","","0.789","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205541","17.6026","0.0006","17.6026","0.0006","23.747","0.0009","90","","90","","90","","7358","0.5","123","1","123","1","","","","","","","","6","P 43","P 4cw","78","","","","- C36 H44 Cl2 O2 P2 Pd2 -","- C36 H44 Cl2 O2 P2 Pd2 -","- C288 H352 Cl16 O16 P16 Pd16 -","8","2","","Marziale, Alexander N.; Jantke, Dominik; Faul, Stefan H.; Reiner, Thomas; Herdtweck, Eberhardt; Eppinger, Jörg","An efficient protocol for the palladium-catalysed Suzuki‒Miyaura cross-coupling","Green Chemistry","2011","13","1","169","","10.1039/c0gc00522c","","","0.71073","MoKα","","0.0287","0.0273","","","0.0688","0.0701","","","","","","1.071","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7206536","10.339","0.002","10.339","0.002","14.057","0.006","90","","90","","90","","1502.6","0.8","150","2","150","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H15 Gd O8 -","- C13 H15 Gd O8 -","- C52 H60 Gd4 O32 -","4","1","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0279","0.0272","","","0.0632","0.0636","","","","","","1.018","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7208798","9.4363","0.0001","9.4363","0.0001","33.2595","0.0006","90","","90","","90","","2961.55","0.07","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C34 H22 N4 O6 Zn -","- C34 H22 N4 O6 Zn -","- C136 H88 N16 O24 Zn4 -","4","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng","Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks","CrystEngComm","2012","14","24","8418","","10.1039/c2ce26034d","","","0.71073","MoKα","","0.0458","0.0382","","","0.0661","0.0707","","","","","","1.079","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7209726","7.5402","0.0002","7.5402","0.0002","22.7232","0.0001","90","","90","","90","","1291.92","0.05","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C11 H15 Cu N O6 -","- C11 H15 Cu N O6 -","- C44 H60 Cu4 N4 O24 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.037","0.0356","","","0.0832","0.0845","","","","","","1.008","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209804","11.9663","0.0001","11.9663","0.0001","16.2923","0.0003","90","","90","","90","","2332.93","0.05","173","2","173","2","","","","","","","","8","P 43","P 4cw","78","","","","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C64 H104 Br8 Cu4 N8 O8 S8 Si4 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.051","0.0374","","","0.0709","0.076","","","","","","0.929","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7211335","10.9932","0.0001","10.9932","0.0001","18.0928","0.0003","90","","90","","90","","2186.52","0.05","300","2","300","2","","","","","","","","5","P 43","P 4cw","78","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0423","0.0421","","","0.1028","0.1031","","","","","","1.054","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7212646","12.3479","0.0005","12.3479","0.0005","49.146","0.002","90","","90","","90","","7493.3","0.5","123","","123","","","","","","","","","6","P 43","P 4cw","78","","","","- C34 H28 Co F12 N8 P2 -","- C34 H28 Co F12 N8 P2 -","- C272 H224 Co8 F96 N64 P16 -","8","2","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0588","0.0484","","0.0658","0.0504","0.0465","","","","","","1.0941","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212766","9.0752","0.0005","9.0752","0.0005","27.014","0.003","90","","90","","90","","2224.9","0.3","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C23 H20 Cd N6 O6 -","- C23 H16 Cd N6 O6 -","- C92 H64 Cd4 N24 O24 -","4","1","","Su, Zhi; Chen, Man-Sheng; Fan, Jian; Chen, Min; Chen, Shui-Sheng; Luo, Li; Sun, Wei-Yin","Spontaneous resolution of two homochiral ferroelectric cadmium(ii) frameworks and an achiral framework from a one-pot reaction involving achiral rigid ligands","CrystEngComm","2010","12","7","2040","","10.1039/c0ce00054j","","","0.71073","MoKα","","0.0417","0.0389","","","0.0897","0.0914","","","","","","0.959","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7216873","10.242","0.002","10.242","0.002","17.385","0.003","90","","90","","90","","1823.7","0.6","200","2","200","2","","","","","","","","4","P 43","P 4cw","78","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C80 H100 N12 O8 -","4","1","","Atkinson, Robert S.; Meades, Christopher K.","Aziridination of cyclic dienes with enantiopure 3-acetoxyaminoquinazolin-4(3H)-ones","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1518","","10.1039/b102592a","","","0.71073","MoKα","","0.0443","0.0358","","","0.0909","0.0972","","","","","","1.03","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216899","9.055","0.003","9.055","0.003","18.635","0.006","90","","90","","90","","1527.9","0.9","299.2","","299.2","","","","","","","","","3","P 43","P 4cw","78","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","","Liu, Chunjian; Bao, Guanglin; Burnell, D. Jean","Synthetic studies toward the kempane diterpenes. Diels–Alder additions to bicyclic dienes","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2644","","10.1039/b104924k","","","0.7107","MoKα","","0.0678","0.033","","0.037","","0.033","","","1.285","","","1.36","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218393","11.3283","0.0003","11.3283","0.0003","14.4747","0.0003","90","","90","","90","","1857.54","0.08","119.8","0.6","119.8","","","","","","","","","6","P 43","P 4cw","78","","","","- C14 H26 Cl2 N3 O2 P -","- C14 H26 Cl2 N3 O2 P -","- C56 H104 Cl8 N12 O8 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.049","0.0336","","","0.03","0.0316","","","","1.46","1.46","1.4","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219666","18.6171","0.0005","18.6171","0.0005","36.5398","0.0013","90","","90","","90","","12664.6","0.7","293","2","293","2","","","","","","","","7","P 43","P 4cw","78","","","","- C90 H72 N18 Ni3 O62 P2 W18 -","- C90 H72 N18 Ni3 O62 P2 W18 -","- C360 H288 N72 Ni12 O248 P8 W72 -","4","1","","Zhang, Lei; Shan, Bingqian; Yang, Hongxun; Wu, Dongshuang; Zhu, Rui; Nie, Jianhang; Cao, Rong","A new heterogeneous photocatalyst based on Wells-Dawson polyoxometalate and nickel coordination compounds: synthesis, structure and property","RSC Adv.","2015","","","","","10.1039/C4RA15932B","","","0.71073","MoKα","","0.0484","0.0448","","","0.0995","0.1017","","","","","","1.139","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7221816","8.5067","0.0004","8.5067","0.0004","26.288","0.002","90","","90","","90","","1902.3","0.19","120","1","120","1","","","","","","","","6","P 43","P 4cw","78","","","","- C15.5 H12 Fe N8 O1.5 S2 -","- C15.5 H6 Fe N8 O1.5 S2 -","- C62 H24 Fe4 N32 O6 S8 -","4","1","","Romero-Morcillo, Tania; Valverde-Muñoz, Francisco J.; Muñoz, M. Carmen; Herrera, Juan Manuel; Colacio, Enrique; Real, José A.","Two-step spin crossover behaviour in the chiral one-dimensional coordination polymer [Fe(HAT)(NCS)2]\ιnfty","RSC Adv.","2015","5","85","69782","","10.1039/C5RA13491A","","","0.71073","MoKα","","0.0753","0.0645","","","0.1685","0.1849","","","","","","0.942","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223992","8.7624","0.0001","8.7624","0.0001","18.3758","0.0002","90","","90","","90","","1410.89","0.03","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H13 N3 O3 -","- C16 H13 N3 O3 -","- C64 H52 N12 O12 -","4","1","","Wadhwa, Natasha R.; Hughes, Neil C.; Hachem, Jaafar A.; Mezei, Gellert","Metal-templated synthesis of intertwined, functionalized strands as precursors to molecularly woven materials","RSC Adv.","2016","","","","","10.1039/C5RA25584H","","","0.71073","MoKα","","0.0628","0.0436","","","0.0908","0.0995","","","","","","1.047","","","","has coordinates","174843","2020-10-21","18:00:00",""
"7225293","11.0007","0.0011","11.0007","0.0011","25.559","0.004","90","","90","","90","","3093","0.7","386","2","386","2","","","","","","","","3","P 43","P 4cw","78","","ciclesonide methanol solvate","","- C33 H48 O8 -","- C33 H48 O8 -","- C132 H192 O32 -","4","1","","Zhou, Li na; Yin, Qiuxiang; Du, Shichao; Hao, Hongxun; Li, Yanfeng; Mingyan, Liu; Hou, Baohong","Crystal structure, thermal crystal form transformation, desolvation process and desolvation kinetics of two novel solvates of ciclesonide","RSC Adv.","2016","","","","","10.1039/C6RA08351J","","","0.71073","MoKα","","0.0343","0.0323","","","0.1011","0.1034","","","","","","1.024","","","","has coordinates","183043","2020-10-21","18:00:00",""
"7226230","12.31578","0.00008","12.31578","0.00008","13.37214","0.00014","90","","90","","90","","2028.27","0.03","173","2","173","2","","","","","","","","4","P 43","P 4cw","78","","melohemsine D","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","","Zhang, Jian; Ding, Yun; Huang, Xiao-Jun; Jiang, Renwang; Wang, Ying; Sun, Ping-Hua; Fan, Run-zhu; Zhang, Xiao-Qi; Ye, Wen-Cai","Melohemsines A-I, melodinus-type alkaloids from Melodinus hemsleyanus","RSC Adv.","2016","","","","","10.1039/C6RA16762D","","","1.54184","CuKα","","0.047","0.0464","","","0.1314","0.1322","","","","","","1.105","","","","has coordinates","185770","2020-10-21","18:00:00",""
"7227464","9.6264","0.0004","9.6264","0.0004","42.6146","0.0018","90","","90","","90","","3949","0.3","296","2","296","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H23 F N2 O2 S -","- C20 H23 F N2 O2 S -","- C160 H184 F8 N16 O16 S8 -","8","2","","Xie, Chen; Sha, Wanxing; Zhu, Yi; Han, Jianlin; Soloshonok, Vadim A.; Pan, Yi","Asymmetric synthesis of C‒F quaternary α-fluoro-β-amino-indolin-2-ones via Mannich addition reactions; facets of reactivity, structural generality and stereochemical outcome","RSC Adv.","2017","7","10","5679","","10.1039/C6RA27710A","","","0.71073","MoKα","","0.0726","0.0506","","","0.1096","0.1186","","","","","","1.055","","","","has coordinates","190645","2020-10-21","18:00:00",""
"7228031","12.487","0.01","12.487","0.01","9.776","0.011","90","","90","","90","","1524","2","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C11 H14 N2 O4 Zn -","- C11 H14 N2 O4 Zn -","- C44 H56 N8 O16 Zn4 -","4","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Cheng, Fujun; Wang, Haijun; Jin, Wanqin","Homochiral porous coordination polymers with rare utk topology and two kinds of uniform channels for enantioseparation","CrystEngComm","2017","","","","","10.1039/C7CE00522A","","","0.71073","MoKα","","0.1655","0.1094","","","0.2513","0.2786","","","","","","0.903","","","","has coordinates","195272","2020-10-21","18:00:00",""
"7229602","10.9162","0.0002","10.9162","0.0002","19.1285","0.0004","90","","90","","90","","2279.42","0.08","150","","150","","","","","","","","","4","P 43","P 4cw","78","","","","- C24 H15 F9 N2 -","- C24 H15 F9.003 N2 -","- C96 H60 F36.012 N8 -","4","1","","Le Phuong, Hai Anh; Cseri, Levente; Whitehead, George F. S.; Garforth, Arthur; Budd, Peter; Szekely, Gyorgy","Environmentally benign and diastereoselective synthesis of 2,4,5-trisubstituted-2-imidazolines","RSC Advances","2017","7","84","53278","","10.1039/C7RA11827A","","x-ray","1.54184","CuKα","","0.0519","0.048","","","0.1231","0.1271","","","","","","1.049","","","","has coordinates,has disorder","203411","2020-10-21","18:00:00",""
"7232339","17.5291","0.0014","17.5291","0.0014","14.569","0.002","90","","90","","90","","4476.6","0.8","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Dy2 N6 O18 -","- C42 H30 Dy2 N6 O18 -","- C168 H120 Dy8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0407","0.0387","","","0.0967","0.0987","","","","","","1.074","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232340","17.5481","0.0011","17.5481","0.0011","14.5406","0.0011","90","","90","","90","","4477.6","0.5","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Eu2 N6 O18 -","- C42 H30 Eu2 N6 O18 -","- C168 H120 Eu8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71075","MoKα","","0.0636","0.0572","","","0.1259","0.1318","","","","","","1.108","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232341","17.5494","0.0009","17.5494","0.0009","14.5562","0.001","90","","90","","90","","4483","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Gd2 N6 O18 -","- C42 H30 Gd2 N6 O18 -","- C168 H120 Gd8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71075","MoKα","","0.0613","0.0547","","","0.1206","0.1271","","","","","","1.114","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232342","17.6414","0.0006","17.6414","0.0006","14.6038","0.0009","90","","90","","90","","4545","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Sm2 -","- C42 H30 N6 O18 Sm2 -","- C168 H120 N24 O72 Sm8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0425","0.0371","","","0.0761","0.0788","","","","","","1.096","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232343","17.4158","0.0006","17.4158","0.0006","14.4403","0.0009","90","","90","","90","","4379.9","0.3","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Yb2 -","- C42 H30 N6 O18 Yb2 -","- C168 H120 N24 O72 Yb8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0291","0.0282","","","0.0712","0.0724","","","","","","1.064","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232344","17.589","0.007","17.589","0.007","14.561","0.008","90","","90","","90","","4505","4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Er2 N6 O18 -","- C42 H30 Er2 N6 O18 -","- C168 H120 Er8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0369","0.0337","","","0.0749","0.0768","","","","","","1.059","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232345","17.5565","0.0006","17.5565","0.0006","14.5448","0.0008","90","","90","","90","","4483.2","0.3","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Tb2 -","- C42 H30 N6 O18 Tb2 -","- C168 H120 N24 O72 Tb8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0353","0.0329","","","0.0775","0.079","","","","","","1.105","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232346","17.572","0.0006","17.572","0.0006","14.5303","0.0011","90","","90","","90","","4486.6","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Ho2 N6 O18 -","- C42 H30 Ho2 N6 O18 -","- C168 H120 Ho8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0338","0.0312","","","0.0707","0.072","","","","","","1.078","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7238076","11.4866","0.0009","11.4866","0.0009","15.493","0.003","90","","90","","90","","2044.2","0.5","298.2","","298.2","","","","","","","","","4","P 43","P 4cw","78","","","","- C24 H14 O2 S4 -","- C24 H14 O2 S4 -","- C96 H56 O8 S16 -","4","1","","Tanaka, Kazuhiko; Osuga, Hideji; Kitahara, Yoshinori","Clathrate formation by and self-assembled supramolecular structures of a “molecular spring”","Journal of the Chemical Society, Perkin Transactions 2","2000","","12","2492","","10.1039/b005070i","","","1.5418","CuKα","","","0.0322","","","0.0515","","","","","1.34","1.34","","","","","has coordinates","243869","2020-10-21","18:00:00",""
"7238219","10.623","0.003","10.623","0.003","5.5031","0.0018","90","","90","","90","","621","0.3","150","2","150","2","","","","","","","see text","3","P 43","P 4cw","78","Phenylmethanamine","Phenylmethanamine","","- C7 H9 N -","- C7 H9 N -","- C28 H36 N4 -","4","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.0449","0.0331","","","0.079","0.0837","","","","","","1.075","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7239120","19.7959","0.0019","19.7959","0.0019","11.155","0.002","90","","90","","90","","4371.4","1","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","CPWWSS","","","- C25 H22 N4 O2 -","- C25 H22 N4 O2 -","- C200 H176 N32 O16 -","8","2","","Barman, Apurba Kr.; Verma, Sandeep","Solid state structures and solution phase self-assembly of clicked mannosylated diketopiperazines","RSC Advances","2013","3","34","14691","","10.1039/c3ra42310g","","","0.71073","MoKα","","0.0745","0.0553","","","0.1149","0.1237","","","","","","1.001","","","","has coordinates","244555","2020-10-21","18:00:00",""
"7240402","7.53409","0.00009","7.53409","0.00009","42.4001","0.0005","90","","90","","90","","2406.74","0.05","294","2","294","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H28 Cl N3 O3 S -","- C24 H28 Cl N3 O3 S -","- C96 H112 Cl4 N12 O12 S4 -","4","1","","Bhandari, Sonal; Sana, Sravani; Lahoti, Vandana; Tokala, Ramya; Shankaraiah, Nagula","Ring-opening cyclization of activated spiro-aziridine oxindoles with heteroarenes: a facile synthetic approach to spiro-oxindole-fused pyrroloindolines","RSC Advances","2020","10","27","16101","16109","10.1039/D0RA00684J","","","0.71073","MoKα","","0.113","0.0689","","","0.1226","0.1363","","","","","","1.086","","","","has coordinates","257989","2020-10-21","18:00:00",""
"7242592","19.556","0.003","19.556","0.003","17.153","0.003","90","","90","","90","","6559.9","1.8","113","2","113.15","","","","","","","","","5","P 43","P 4cw","78","","","","- C22 H36 N4 O7 S2 -","- C22 H36 N4 O7 S2 -","- C176 H288 N32 O56 S16 -","8","2","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","","0.71073","MoKα","","0.0977","0.079","","","0.2008","0.2148","","","","","","1.066","","","","has coordinates","265957","2021-06-05","18:11:02",""
"7242703","17.1672","0.0003","17.1672","0.0003","11.4013","0.0004","90","","90","","90","","3360.11","0.14","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","Δ-D-pca","","- C37 H34 Ir N3 O3 -","- C37 H34 Ir N3 O3 -","- C148 H136 Ir4 N12 O12 -","4","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0482","0.0395","","","0.0855","0.0889","","","","","","1.004","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7244887","8.0124","0.0007","8.0124","0.0007","33.848","0.003","90","","90","","90","","2173","0.3","170","2","170","2","","","","","","","","5","P 43","P 4cw","78","","","","- C18 H28 K N O9 -","- C18 H28 K N O9 -","- C72 H112 K4 N4 O36 -","4","1","","Weirich, Luisa; Tusha, Gers; Engelage, Elric; Schäfer, Lars V.; Merten, Christian","VCD spectroscopy reveals conformational changes of chiral crown ethers upon complexation of potassium and ammonium cations","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01309F","","x-ray","0.71073","MoKα","","0.0439","0.0409","","","0.1","0.1031","","","","","","1.085","","","","has coordinates","274905","2022-05-05","00:49:08",""
"7245240","22.737","","22.737","","9.143","","90","","90","","90","","4726.67","","77","","77","","","","","","","","","5","P 43","P 4cw","78","","Argyrin-D","","- C168 H184 N40 O32 S4 -","- C42 H48 N10 O8 S -","- C168 H192 N40 O32 S4 -","4","1","","Gorelik, Tatiana E.; Tehrani, Kamal; Gruene, Tim; Monecke, Thomas; Niessing, Dierk; Kaiser, Ute; Blankenfeldt, Wulf; Müller, Rolf","Crystal structure of natural product argyrin-D determined by 3D electron diffraction","CrystEngComm","2022","","","","","10.1039/D2CE00707J","","","0.0251","electrons","","0.2232","0.178","","","0.4023","0.4327","","","","","","1.296","","","","has coordinates","277045","2022-08-02","22:36:04",""
"7246418","9.58017","0.00005","9.58017","0.00005","33.7964","0.0003","90","","90","","90","","3101.82","0.04","100.01","0.16","100.01","0.16","","","","","","","","4","P 43","P 4cw","78","","(4R,7aR)-4-methyl-3,7-diphenyl-5,6,7,7a-tetrahydrofuro[2,3-b]pyridin-2(4H)-one","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","","Feng, Tian; Zhu, Zile; Zhang, Dongmei; Wang, Siyi; Li, Ruopu; Zhu, Zhaolin; Zhang, Xinxing; Qiu, Youai","Electrochemical dual α,β-C(sp3)–H functionalization of cyclic N-aryl amines","Green Chemistry","2023","25","7","2681","2689","10.1039/D3GC00344B","","x-ray","1.54184","CuKα","","0.0527","0.0518","","","0.1242","0.1247","","","","","","1.142","","","","has coordinates","283368","2023-05-05","02:49:30",""
"7246636","11.7905","0.0004","11.7905","0.0004","23.9682","0.0008","90","","90","","90","","3331.96","0.19","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C34 H26 N2 O14 Zn2 -","- C34 H26 N2 O14 Zn2 -","- C136 H104 N8 O56 Zn8 -","4","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0336","0.0298","","","0.081","0.0836","","","","","","1.035","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7701564","10.2453","0.0001","10.2453","0.0001","17.6924","0.0005","90","","90","","90","","1857.1","0.06","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C25 H18 B N O -","- C25 H18 B N O -","- C100 H72 B4 N4 O4 -","4","1","","Urban, Mateusz; Durka, Krzysztof; Górka, Patrycja; Wiosna-Sałyga, Gabriela; Nawara, Krzysztof; Jankowski, Piotr; Luliński, Sergiusz","The effect of locking π-conjugation in organoboron moieties in the structures of luminescent tetracoordinate boron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8642","8663","10.1039/c9dt01332f","","x-ray","1.54184","CuKα","","0.0505","0.0433","","","0.1098","0.1157","","","","","","1.047","","","","has coordinates","223302","2020-10-21","18:00:00",""
"7702283","15.6933","0.0009","15.6933","0.0009","28.4979","0.0019","90","","90","","90","","7018.5","0.7","100","2","100","2","","","","","","","","6","P 43","P 4cw","78","","","","- C64 H84 Cl8 Mg4 N4 O14 -","- C64 H83.996 Cl8 Mg4 N4 O13.999 -","- C256 H335.984 Cl32 Mg16 N16 O55.996 -","4","1","","Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","375","387","10.1039/c9dt04359d","","","0.71073","MoKα","","0.0709","0.0488","","","0.1132","0.1262","","","","","","1.027","","","","has coordinates,has disorder","247727","2020-10-21","18:00:00",""
"7704329","5.0341","0.0007","5.0341","0.0007","27.005","0.005","90","","90","","90","","684.37","0.18","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C4 H8 N4 O3 -","- C4 H8 N4 O3 -","- C16 H32 N16 O12 -","4","1","","Matos, Catiúcia R M O; S Junior, Henrique C; D'Amato, Dayenny L; de Souza, Acácio S; Pinheiro, Sérgio; Guedes, Guilherme P.; Ferreira, Glaucio B.; Alves, Odivaldo C.; de Almeida, Filipe B.; Garcia, Flávio; Ronconi, Célia M","Spin-frustration with two quasi-degenerated spin states of a copper(II) heptanuclear complex obtained from an amino acid ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16359","16367","10.1039/c9dt04501e","","","0.71073","MoKα","","0.0519","0.0342","","","0.0574","0.0621","","","","","","1.046","","","","has coordinates","260772","2021-01-07","06:26:31",""
"7706667","19.6216","0.0001","19.6216","0.0001","23.8883","0.0002","90","","90","","90","","9197.17","0.1","100","2","100","2","","","","","","","","8","P 43","P 4cw","78","","","","- C54 H36 B2 F4 N2 O4 S Si2 -","- C54 H36 B2 F4 N2 O4 S Si2 -","- C432 H288 B16 F32 N16 O32 S8 Si16 -","8","2","","Podda, Enrico; Coles, Simon J.; Horton, Peter N.; Lickiss, Paul D.; Bull, Okpara S.; Orton, James B.; Pintus, Anna; Pugh, David; Carla Aragoni, M.; Davies, Robert P.","First example of solid-state luminescent borasiloxane-based chiral helices assembled through N-B bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3782","3785","10.1039/d1dt00114k","","x-ray","1.54178","CuKα","","0.033","0.0326","","","0.0879","0.0883","","","","","","1.021","","","","has coordinates,has disorder","263770","2021-04-05","14:52:38",""
"7709639","12.232","0.0001","12.232","0.0001","47.2452","0.0006","90","","90","","90","","7068.91","0.12","130.01","0.1","130.01","0.1","","","","","","","","6","P 43","P 4cw","78","","Bis[2,2':6',2''-terpyridine]iron(II) diperchlorate bis-acetonitrile solvate","","- C34 H28 Cl2 Fe N8 O8 -","- C34 H28 Cl2 Fe N8 O8 -","- C272 H224 Cl16 Fe8 N64 O64 -","8","2","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.055","0.0514","","","0.1258","0.1289","","","","","","1.024","","","","has coordinates,has disorder","273443","2022-03-04","23:49:26",""
"7709718","10.9697","0.0005","10.9697","0.0005","11.8981","0.0007","90","","90","","90","","1431.75","0.12","193","2","193","2","","","","","","","","5","P 43","P 4cw","78","","","","- C13 H19 Ag N2 O4 -","- C13 H19 Ag N2 O4 -","- C52 H76 Ag4 N8 O16 -","4","1","","Carrasco, Carlos J.; Montilla, Francisco; Alvarez González, Eleuterio; Galindo, Agustin; Pérez-Aranda, María; Pajuelo, Eloisa; Alcudia, Ana","Homochiral imidazolium-based dicarboxylate silver(I) compounds: synthesis, characterisation and antimicrobial properties","Dalton Transactions","2022","","","","","10.1039/D1DT04213K","","","0.71073","MoKα","","0.0185","0.0183","","","0.0509","0.051","","","","","","1.039","","","","has coordinates","273626","2022-03-11","00:05:13",""
"7712939","12.9086","0.0013","12.9086","","17.95","0.002","90","","90","","90","","2991","0.4","150","2","150","2","","","","","","","synthesis as described","7","P 43","P 4cw","78","","","","- C24 H40 F2 Fe O2 S2 Si2 -","- C24 H40 F2 Fe O2 S2 Si2 -","- C96 H160 F8 Fe4 O8 S8 Si8 -","4","1","","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","","0.0315","0.0278","","","0.0612","0.0631","","","","","","1.038","","","","has coordinates","282981","2023-05-04","05:27:36",""
"7712941","9.1285","0.0003","9.1285","","27.3023","0.0011","90","","90","","90","","2275.09","0.12","150","2","150","2","","","","","","","synthesis as described","5","P 43","P 4cw","78","","","","- C27 H28 Fe O2 S -","- C27 H28 Fe O2 S -","- C108 H112 Fe4 O8 S4 -","4","1","","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","","0.037","0.0334","","","0.066","0.0674","","","","","","0.996","","","","has coordinates","282981","2023-05-04","05:27:36",""
"7713560","9.0835","0.0005","9.0835","0.0005","42.651","0.004","90","","90","","90","","3519.1","0.4","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C31 H37 Cl2 Cu N5 O12 -","- C31 H37 Cl2 Cu N5 O12 -","- C124 H148 Cl8 Cu4 N20 O48 -","4","1","","P. Ferreira, Millena; Bezerra Castro, Caio; de Araújo Neto, João Honorato; he, sheng; Gonçalves Guimarães Júnior, Walber; Esmieu, Charlene; Castellano, Eduardo; de Moura, André Farias; Truzzi, Daniela Ramos; Nascimento, Otaciro; Simonneau, Antoine; Netto, Caterina Gruenwaldt Cunha Marques","Biomimetic catalysis of nitrite reductase enzyme using copper complexes in chemical and electrochemical reduction of nitrite","Dalton Transactions","2023","","","","","10.1039/D3DT01091K","","x-ray","0.71073","MoKα","","0.0484","0.0384","","","0.0838","0.0887","","","","","","1.045","","","","has coordinates","285337","2023-07-25","22:51:18",""
"7715996","10.5626","0.0006","10.5626","0.0006","38.185","0.002","90","","90","","90","","4260.2","0.4","100","2","100","2","","","","","","","","6","P 43","P 4cw","78","","","","- C45 H29 Ce F9 N3 O6 -","- C45 H29 Ce F9 N3 O6 -","- C180 H116 Ce4 F36 N12 O24 -","4","1","","Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardía, Mercè; Vicente, Ramon","New series of mononuclear β-diketonate cerium(III) field induced single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9387","9405","10.1039/d4dt00848k","","","0.71073","MoKα","","0.0264","0.0253","","","0.0537","0.0542","","","","","","1.145","","","","has coordinates","293010","2024-07-05","16:01:42",""
"7717405","12.4345","0.0003","12.4345","0.0003","18.7179","0.0011","90","","90","","90","","2894.1","0.2","296.15","","296.15","","","","","","","","","6","P 43","P 4cw","78","","","","- C18 H37 Dy N3 O17 P3 -","- C18 H37 Dy N3 O17 P3 -","- C72 H148 Dy4 N12 O68 P12 -","4","1","","Peng, Guo; Zhou, Guoxing; Dong, Xiang Tao; Peng, Yong-Bo; Zhang, Rong-Yan; Ma, Ying-Zhao; Ren, Xiaoming","Multifunctional chiral metal hydrogen-bonded organic frameworks constructed from lanthanide ions with trigonal prismatic coordination environment","Dalton Transactions","2024","","","","","10.1039/D4DT02131B","","","0.71073","MoKα","","0.0256","0.025","","","0.0608","0.0612","","","","","","1.042","","","","has coordinates","295785","2024-11-06","00:00:12",""
"7717407","12.4178","0.0007","12.4178","0.0007","18.6104","0.0011","90","","90","","90","","2869.8","0.3","296.15","","296.15","","","","","","","","","6","P 43","P 4cw","78","","","","- C18 H36 N3 O17 P3 Yb -","- C18 H36 N3 O17 P3 Yb -","- C72 H144 N12 O68 P12 Yb4 -","4","1","","Peng, Guo; Zhou, Guoxing; Dong, Xiang Tao; Peng, Yong-Bo; Zhang, Rong-Yan; Ma, Ying-Zhao; Ren, Xiaoming","Multifunctional chiral metal hydrogen-bonded organic frameworks constructed from lanthanide ions with trigonal prismatic coordination environment","Dalton Transactions","2024","","","","","10.1039/D4DT02131B","","","0.71073","MoKα","","0.0271","0.025","","","0.0565","0.0572","","","","","","1.022","","","","has coordinates","295785","2024-11-06","00:00:13",""
"8000082","10.6835","0.0003","10.6835","0.0003","12.9899","0.0004","90","","90","","90","","1482.63","0.07","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H15 N4 O6 -","- C13 H15 N4 O6 -","- C52 H60 N16 O24 -","4","1","","Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji","An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals","The Journal of Physical Chemistry Letters","2011","2","24","3036","","10.1021/jz2014105","","","1.54178","CuKα","","0.0432","0.0417","","","0.096","0.0976","","","","","","1.141","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101016","10.775","0.004","10.775","0.004","12.572","0.002","90","","90","","90","","1459.6","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C13 H16 N3 O3 P -","- C13 H16 N3 O3 P -","- C52 H64 N12 O12 P4 -","4","1","","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.","Crystal structure of N,N'-diphenylguanidinium dihydrogenphosphite, (C~13~H~14~N~3~)(H~2~PO~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","416","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101996","8.1499","0.0008","8.1499","0.0008","26.863","0.005","90","","90","","90","","1784.3","0.4","294","2","294","2","","","","","","","","6","P 43","P 4cw","78","","8-bromo-6-chloro-1',3',3'-trimethylspiro[2H-1-benzopyran-2,2'-indoline]","","- C19 H17 Br Cl N O -","- C19 H17 Br Cl N O -","- C76 H68 Br4 Cl4 N4 O4 -","4","1","","Wang, A.-Q.; Wu, Y.; Guo, H.","Crystal structure of 8-bromo-6-chloro-1',3',3'-trimethylspiro[2H-1- benzopyran-2,2'-indoline], C~19~H~17~BrClNO","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","321","322","","","","0.71073","MoKα","","0.1479","0.0612","","","0.151","0.2019","","","","","","1.031","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102707","8.4653","0.0008","8.4653","0.0008","14.9036","0.0013","90","","90","","90","","1068.01","0.17","298","2","298","2","","","","","","","","4","P 43","P 4cw","78","","","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C40 H48 N8 O12 -","4","1","","Hu-Kui Chen; Fei-Wen Zhao","Crystal structure of N-(2,4-dimethyl-6-nitrophenyl)acetamide, C10H12N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","369","","","","","0.71073","MoKα","","0.0391","0.0308","","","0.0775","0.0845","","","","","","1.065","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103283","8.8792","0.0007","8.8792","0.0007","14.391","0.002","90","","90","","90","","1134.6","0.2","296","2","296","2","","","","","","","","3","P 43","P 4cw","78","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Zhao-Hao Li; Li-Ping Xue","Crystal structure of 2-o-tolyl-1H-benzo[d]imidazole, C14H12N2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","71","","","","","0.71073","MoKα","","0.0649","0.0374","","","0.0775","0.0875","","","","","","1.003","","","","has coordinates","183086","2020-10-21","18:00:00",""
"9012138","10.14","","10.14","","14.17","","90","","90","","90","","1456.95","","","","","","","","","","","","","1","P 43","P 4cw","78","Boron","","Boron","- B -","- B0.999368 -","- B189.88 -","190","47.5","","Vlasse, M.; Naslain, R.; Kasper, J. S.; Ploog, K.","Crystal structure of tetragonal boron related to alpha AlB12 Locality: synthetic","Journal of Solid State Chemistry","1979","28","","289","301","10.1016/0022-4596(79)90080-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""