# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:30:29+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 4' 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
"1502501","24.47","0.003","24.47","0.003","7.359","0.001","90","","90","","90","","4406.4","1","298","2","298","2","","","","","","","","4","I 4","I 4","79","","","","- C19 H27.25 N2 O9.63 -","- C19 H27.26 N2 O9.625 -","- C152 H218.08 N16 O77 -","8","1","","Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming","Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.","Organic letters","2011","13","22","5948","5951","10.1021/ol202245s","","","0.71073","MoKα","","0.1903","0.0985","","","0.2179","0.2495","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505132","29.61","0.013","29.61","0.013","5.579","0.003","90","","90","","90","","4891","4","103.15","","103","2","","","","","","","","5","I 4","I 4","79","","","","- C21 H14 Br2 F9 O4.5 -","- C21 H13 Br2 F9 O4.5 -","- C168 H104 Br16 F72 O36 -","8","1","","Sakakibara, Ken; Nakano, Koji; Nozaki, Kyoko","Regioregular Polymerization of Fluorine-Containing Epoxides","Macromolecules","2007","40","17","6136","","10.1021/ma070428j","","","0.7107","MoKα","","0.0875","0.0704","","","0.1364","0.1442","","","","","","1.142","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506455","19.327","0.009","19.327","0.009","9.814","0.006","90","","90","","90","","3666","3","293","2","293","2","","","","","","","","3","I 4","I 4","79","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C160 H176 O48 -","8","1","","Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M.","Transtaganolides A-D: novel metabolites from Thapsia transtagana.","Organic letters","2005","7","5","881","884","10.1021/ol047421w","","","0.71073","MoKα","","0.0741","0.0575","","","0.1348","0.1435","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1516011","20.0401","0.0008","20.0401","0.0008","9.4689","0.0004","90","","90","","90","","3802.8","0.3","100","2","100","2","","","","","","","","3","I 4","I 4","79","","","","- C20 H32 O4 -","- C20 H30 O4 -","- C160 H240 O32 -","8","1","","Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi","Diterpenoids from the twigs and leaves of Fokienia hodginsii.","Journal of natural products","2013","76","6","1032","1038","10.1021/np400010c","","","1.54178","CuKα","","0.0522","0.0506","","","0.1354","0.1368","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517273","14.7855","0.0007","14.7855","0.0007","17.6398","0.0009","90","","90","","90","","3856.3","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","6","I 4","I 4","79","","mono(N,N'-diphenyl-4-pyrid-4-ylbenzamidinate)-tris(N,N'-diphenyl-4- bromobenzamidinate) dirhodium, dichloromethane 1.5-solvate","","- C82.5 H63 Br3 Cl3 N9 Rh2 -","- C82.5 H63 Br3 Cl3 N9 Rh2 -","- C165 H126 Br6 Cl6 N18 Rh4 -","2","0.25","","Chartrand, Daniel; Hanan, Garry S.","Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer.","The journal of physical chemistry. A","2014","118","45","10340","10352","10.1021/jp502243c","","","1.54178","CuKα","","0.0591","0.0578","","","0.1594","0.1614","","","","","","1.076","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1521370","13.126","0.0002","13.126","0.0002","15.1338","0.0002","90","","90","","90","","2607.43","0.07","","","298","","","","","","","","","5","I 4","I 4","79","","","","- C27 H31 B F4 O6 -","","","4","0.5","","Lamsa, Markku; Pursiainen, Jouni; Rissanen, Kari; Huuskonen, Juhani","Complexation of Crown Ethers and Podands with Tropylium Cations: Determination of Stability Constants and Crystal Structure of the Dibenzo-24-Crown-8-Tropylium Cation Complex","Acta Chemica Scandinavica","1998","52","","563","570","10.3891/acta.chem.scand.52-0563","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","","188978","2020-10-21","18:00:00",""
"1521857","7.6292","","7.6292","","10.8502","","90","","90","","90","","631.533","","","","","","","","","","","","","3","I 4","I 4","79","","U3 Al1.7 Si3.3","","- Al1.7 Si3.3 U3 -","- Al1.7 Si3.3 U3 -","- Al6.8 Si13.2 U12 -","4","0.5","","Rogl, P.; Andre, G.; Noel, H.; Bouree, F.","Magnetic structures of U3 M2 (M')3, M= Al, Ga; M'= Si, Ge: a neutron powder diffraction study","Journal of Magnetism and Magnetic Materials","1999","191","","291","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","142073","2020-10-21","18:00:00",""
"1521858","7.6426","","7.6426","","10.8379","","90","","90","","90","","633.035","","","","","","","","","","","","","3","I 4","I 4","79","","U3 Ga1.92 Si3.08","","- Ga1.92 Si3.08 U3 -","- Ga1.92 Si3.08 U3 -","- Ga7.68 Si12.32 U12 -","4","0.5","","Rogl, P.; Noel, H.; Andre, G.; Bouree, F.","Magnetic structures of U3 M2 (M')3, M= Al, Ga; M' = Si, Ge: a neutron powder diffraction study","Journal of Magnetism and Magnetic Materials","1999","191","","291","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","142074","2020-10-21","18:00:00",""
"1521859","7.749","","7.749","","11.0365","","90","","90","","90","","662.709","","","","","","","","","","","","","3","I 4","I 4","79","","U3 Al2.06 Ge2.94","","- Al2.06 Ge2.94 U3 -","- Al2.06 Ge2.94 U3 -","- Al8.24 Ge11.76 U12 -","4","0.5","","Rogl, P.; Andre, G.; Bouree, F.; Noel, H.","Magnetic structures of U3 M2 (M')3, M= Al, Ga; M' = Si, Ge: a neutron powder diffraction study","Journal of Magnetism and Magnetic Materials","1999","191","","291","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","142075","2020-10-21","18:00:00",""
"1525610","10.216","","10.216","","20.2449","","90","","90","","90","","2112.89","","","","","","","","","","","","","3","I 4","I 4","79","","","","- Ba1.114 Mo8 O16 -","- Ba1.11429 Mo8 O16 -","- Ba7.8 Mo56 O112 -","7","0.875","","Barrier, N.; Gougeon, P.; Retoux, R.","Synthesis, crystal structure and TEM study of the new hollandite - type Ba8/7 Mo8 O16","Journal of Alloys Compd.","2001","317","","120","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528369","8.52","","8.52","","3.98","","90","","90","","90","","288.91","","","","","","","","","","","","","4","I 4","I 4","79","","W O Cl3 Br","","- Br Cl3 O W -","- Br Cl3 O W -","- Br2 Cl6 O2 W2 -","2","0.25","","Boorman, P.M.; Greenwood, N.N.; Whitfield, H.J.","Mixed Bromide-Chloride of Tungsten(VI)","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1968","1968","","2256","2258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529521","14.583","","14.583","","7.365","","90","","90","","90","","1566.27","","","","","","","","","","","","","4","I 4","I 4","79","","Pb5 W3 O9 F10","","- F10 O9 Pb5 W3 -","- F10 O9 Pb5 W3 -","- F40 O36 Pb20 W12 -","4","0.5","","Abrahams, S.C.; Marsh, P.; Ravez, J.","Ferroelectric structure and related properties of Pb5 W3 O9 F10","Journal of Chemical Physics","1987","87","","6012","6020","","","","","","","","","","","","","","","","","","","","","","has coordinates","153953","2020-10-21","18:00:00",""
"1530004","10.698","","10.698","","9.345","","90","","90","","90","","1069.51","","","","","","","","","","","","","4","I 4","I 4","79","","Ca2 (Si O3 Cl2)","","- Ca2 Cl2 O3 Si -","- Ca2 Cl2 O3 Si -","- Ca16 Cl16 O24 Si8 -","8","1","","Golovastikov, N.I.; Kazak, V.F.","The crystal structure of calcium chlorosilicate Ca2 Si O3 Cl2","Kristallografiya","1977","22","","962","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535408","10.071","","10.071","","2.962","","90","","90","","90","","300.421","","","","","","","","","","","","","3","I 4","I 4","79","","Ba1.12 (Ti8 O16)","","- Ba1.12 O16 Ti8 -","- Ba1.12 O16 Ti8 -","- Ba1.12 O16 Ti8 -","1","0.125","","Bolotina, N.B.; Dmitrieva, M.T.; Rastsvetaeva, R.K.","Modulated structure of a new natural member of hollandite family.","Kristallografiya","1992","37","","598","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","162766","2020-10-21","18:00:00",""
"1535409","10.071","","10.071","","14.81","","90","","90","","90","","1502.1","","","","","","","","","","","","","3","I 4","I 4","79","","Ba1.15 (Ti8 O16)","","- Ba1.15 O16 Ti8 -","- Ba1.152 O16 Ti8 -","- Ba5.76 O80 Ti40 -","5","0.625","","Bolotina, N.B.; Dmitrieva, M.T.; Rastsvetaeva, R.K.","Modulated structure of a new natural member of hollandite family.","Kristallografiya","1992","37","","598","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","162771","2020-10-21","18:00:00",""
"1537407","8.48","","8.48","","3.995","","90","","90","","90","","287.282","","","","","","","","","","","","","3","I 4","I 4","79","","W O Cl4","","- Cl4 O W -","- Cl4 O W -","- Cl8 O2 W2 -","2","0.25","","Hess, H.; Hartung, H.","Die Kristallstruktur von Wolframoxidchlorid W O Cl4 und Wolframoxidbromid W O Br4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1966","344","","157","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544464","27.2685","0.0008","27.2685","0.0008","7.6863","0.0003","90","","90","","90","","5715.3","0.3","100","","100","","","","","","","","","4","I 4","I 4","79","","ysl-518-OBn-natural","","- C31 H38 N2 O5 -","- C31 H38 N2 O5 -","- C248 H304 N16 O40 -","8","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.0764","0.051","","","0.1246","0.1399","","","","","","1.027","","","","has coordinates,has disorder","193729","2020-10-21","18:00:00",""
"1548561","25.728","0.006","25.728","0.006","6.5313","0.0016","90","","90","","90","","4323.3","1.8","","","140","","","","","","","","","4","I 4","I 4","79","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C184 H232 N8 O24 -","8","1","","Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li","Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families","Nature Communications","2015","6","","6096","","10.1038/ncomms7096","","x-ray","0.71073","MoKα","","","0.054","","","0.12","","","","","","","","","","","has coordinates","204652","2020-10-21","18:00:00",""
"1548975","27.458","0.004","27.458","0.004","18.225","0.004","90","","90","","90","","13741","4","293","2","293","2","","","","","","","","5","I 4","I 4","79","","","","- C26 H15 N6 O11 Zn2 -","- C26 H13 N6 O11 Zn2 -","- C208 H104 N48 O88 Zn16 -","8","1","","Zhao, He; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Sun, Ying-Ji; Zhou, Huajun; Li, Yan-Qin; Duan, Chun-Ying","A trichromatic MOF composite for multidimensional ratiometric luminescent sensing.","Chemical science","2018","9","11","2918","2926","10.1039/c8sc00021b","","","0.71073","synchrotron","","0.033","0.0323","","","0.0926","0.0931","","","","","","1.106","","","","has coordinates","228851","2020-10-21","18:00:00",""
"1549029","19.9066","0.0006","19.9066","0.0006","16.1991","0.0009","90","","90","","90","","6419.3","0.4","150.02","0.1","150.02","0.1","","","","","","","","7","I 4","I 4","79","","","","- C86 H162 Co Cr7 F8 N O33 -","- C86 H156 Co Cr7 F8 N O33 -","- C172 H312 Co2 Cr14 F16 N2 O66 -","2","0.25","","Garlatti, Elena; Guidi, Tatiana; Chiesa, Alessandro; Ansbro, Simon; Baker, Michael L.; Ollivier, Jacques; Mutka, Hannu; Timco, Grigore A.; Vitorica-Yrezabal, Inigo; Pavarini, Eva; Santini, Paolo; Amoretti, Giuseppe; Winpenny, Richard E. P.; Carretta, Stefano","Anisotropy of Co<sup>II</sup> transferred to the Cr<sub>7</sub>Co polymetallic cluster <i>via</i> strong exchange interactions.","Chemical science","2018","9","14","3555","3562","10.1039/c8sc00163d","","x-ray","0.71073","MoKα","","0.0839","0.0675","","","0.1852","0.2016","","","","","","1.051","","","","has coordinates,has disorder","228781","2020-10-21","18:00:00",""
"1553345","27.2552","0.0004","27.2552","0.0004","7.0051","0.0002","90","","90","","90","","5203.71","0.18","296","2","296","2","","","","","","","","3","I 4","I 4","79","","","","- C27 H36 O8 -","- C27 H36 O8 -","- C216 H288 O64 -","8","1","","Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.","Journal of natural products","2018","81","9","1937","1945","10.1021/acs.jnatprod.7b01050","","","1.54178","CuKα","","0.0364","0.0359","","","0.1002","0.1005","","","","","","1.076","","","","has coordinates,has disorder","234140","2020-10-21","18:00:00",""
"2002233","8.484","","8.484","","5.813","","90","","90","","90","","418.4","","","","","","","","","","","","","3","I 4","I 4","79","","Copper tetraoxodibismuthate(III)","","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.5","","Arpe, R; Mueller-Buschbaum, Hk","Isolierte quadratisch planare (Cu O4)6- -Polyeder in Cu Bi2 O4, ein neuer Bautyp zur Formel (Me3+)2 M2+ O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1976","426","","1","6","10.1002/zaac.19764260102","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2009277","20.521","0.003","20.521","0.003","6.1384","0.0007","90","","90","","90","","2585","0.6","180","2","180","2","","","","","","","","4","I 4","I 4","79","","(2S,4S)-(hydroxymethyl)-2-dioxane-1,3]-ferrocene","","- C15 H18 Fe O3 -","- C15 H18 Fe O3 -","- C120 H144 Fe8 O24 -","8","1","GS1052","Jerome Chiffre; Eric Manoury; Jean-Claude Daran; Gilbert G. A. Balavoine","[(2<i>S</i>,4<i>S</i>)-4-Hydroxymethyl-1,3-dioxan-2-yl]ferrocene","Acta Crystallographica Section C","1999","55","12","2045","2047","10.1107/S010827019901207X","","","0.71073","MoKα","","0.0268","0.024","","","","0.0663","","","","","","1.133","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2012217","11.295","0.001","11.295","0.001","9.2","0.001","90","","90","","90","","1173.71","0.19","293","2","293","2","","","","","","","","5","I 4","I 4","79","","Trans-dichloro-tetrakis(N^1^-4-methyl-1,3-pyrimidine- ruthenium(II)","","- C20 H24 Cl2 N8 Ru -","- C20 H24 Cl2 N8 Ru -","- C40 H48 Cl4 N16 Ru2 -","2","0.25","NA1526","Bellucci, Cinzia; Cini, Renzo","<i>trans</i>-Dichlorotetrakis(4-methylpyrimidine-<i>N</i>^1^)ruthenium(II)","Acta Crystallographica Section C","2001","57","9","1039","1040","10.1107/S0108270101009647","","","0.71073","MoKα","","0.0357","0.0292","","","","0.0593","","","","","","1.047","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012874","17.929","0.0012","17.929","0.0012","5.2196","0.0005","90","","90","","90","","1677.8","0.2","105","2","293","2","","","","","","","","4","I 4","I 4","79","","N-(L-2-aminobutyryl)-L-alanine","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C56 H112 N16 O24 -","8","1","GD1209","Görbitz, Carl Henrik","<i>N</i>-(<small>L</small>-2-Aminobutyryl)-<small>L</small>-alanine and 2-(<small>L</small>-alanylamino)-<small>L</small>-butyric acid 0.33-hydrate","Acta Crystallographica Section C","2002","58","8","o533","o536","10.1107/S0108270102011691","","","0.71073","MoKα","","0.081","0.079","","","0.179","0.18","","","","","","1.267","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015186","15.649","0.002","15.649","0.002","8.653","0.002","90","","90","","90","","2119","0.6","150","2","150","2","","","","","","","","5","I 4","I 4","79","","Dichlorotetrakis[3-(4-pyridyl)-1H-pyrazole]cobalt(II) acetonitrile tetrasolvate","","- C40 H40 Cl2 Co N16 -","- C40 H40 Cl2 Co N16 -","- C80 H80 Cl4 Co2 N32 -","2","0.25","SF1015","Graham M. Davies; Harry Adams; Michael D. Ward","Dichlorotetrakis[3-(4-pyridyl)-1<i>H</i>-pyrazole]cobalt(II) acetonitrile tetrasolvate: an infinite hydrogen-bonded network, in an instant","Acta Crystallographica Section C","2005","61","11","m485","m487","10.1107/S0108270105031732","","","0.71073","MoKα","","0.0341","0.029","","","0.0672","0.0692","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017518","20.1789","0.0004","20.1789","0.0004","8.4712","0.0002","90","","90","","90","","3449.37","0.13","100","2","100","2","","","","","","","","3","I 4","I 4","79","","Methyl β-D-galactopyranosyl-(1→4)-α-D-mannopyranoside methanol 0.375-solvate","","- C13.375 H25.5 O11.375 -","- C13 H24 O11 -","- C104 H192 O88 -","8","1","GZ3172","Hu, Xiaosong; Pan, Qingfeng; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>D</small>-galactopyranosyl α-<small>D</small>-mannopyranoside methanol 0.375-solvate","Acta Crystallographica Section C","2010","66","2","o67","o70","10.1107/S0108270109055012","","","1.54178","CuKα","","0.0455","0.0436","","","0.1029","0.1037","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017799","16.8182","0.0009","16.8182","0.0009","7.524","0.0004","90","","90","","90","","2128.2","0.2","294","2","294","2","","","","","","","","4","I 4","I 4","79","","<i>catena</i>-Poly[thorium(IV)-tetrakis(μ~2~-3-carboxyadamantane-1- carboxylato)]","","- C48 H60 O16 Th -","- C48 H60 O16 Th -","- C96 H120 O32 Th2 -","2","0.25","EG3060","Nazarenko, Olga M.; Rusanova, Julia A.; Krautscheid, Harald; Domasevitch, Konstantin V.","<i>catena</i>-Poly[thorium(IV)-tetrakis(μ~2~-3-carboxyadamantane-1-carboxylato)]: a quadruple helical strand driven by a synergy of coordination and hydrogen bonding","Acta Crystallographica Section C","2010","66","10","m276","m279","10.1107/S0108270110034785","","","0.71073","MoKα","","0.0191","0.0186","","","0.0356","0.0356","","","","","","0.957","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019085","18.335","0.007","18.335","0.007","5.141","0.002","90","","90","","90","","1728.3","1.2","105","2","105","2","","","","","","","","4","I 4","I 4","79","Abu-Ser, N-(L-2-aminobutyryl)-L-serine","(<i>S</i>)-2-[(<i>S</i>)-2-Azaniumylbutanamido]-3-hydroxypropanoate","","- C7 H14 N2 O4 -","- C7 H14 N2 O4 -","- C56 H112 N16 O32 -","8","1","QS3026","Görbitz, Carl Henrik; Yadav, Vitthal N.","An unexpected tetragonal unit cell for <i>N</i>-(<small>L</small>-2-aminobutyryl)-<small>L</small>-serine","Acta Crystallographica Section C","2013","69","8","888","891","10.1107/S0108270113017484","","","0.71073","MoKα","","0.0863","0.08","","","0.1922","0.195","","","","","","1.301","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2101435","29.145","0.003","29.145","0.003","7.695","0.001","90","","90","","90","","6536.4","1.3","","","","","","","","","","","","3","I 4","I 4","","","","","- C34 H44 O14.5 -","- C37 H50 O16 -","- C296 H400 O128 -","8","1","CR0491","Govindachari, T. R.; Geetha Gopalakrishnan,; Rajan, S. S.; Kabaleeswaran, V.; Lessinger, L.","Molecular and crystal structure of azadirachtin-H","Acta Crystallographica Section B","1996","52","1","145","150","10.1107/S0108768195010056","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104158","15.004","0.0006","15.004","0.0006","7.9872","0.0005","90","","90","","90","","1798.08","0.15","100","2","100","2","","","","","","","","4","I 4","I 4","79","Octakis(trivinylsilyl)octasilicate","","","- C48 H72 O20 Si16 -","- C48 H72 O20 Si16 -","- C48 H72 O20 Si16 -","1","0.125","WS5065","Slebodnick, Carla; Angel, Ross J.; Hanson, Brian E.; Agaskar, Pradyot A.; Soler, Tatiana; Falvello, Larry R.","Disorder and pseudo-symmetry in octakis(trivinylsilyl)octasilicate","Acta Crystallographica Section B","2008","64","3","330","337","10.1107/S0108768108010227","","","0.71073","MoKα","","0.0618","0.0614","","","0.1518","0.152","","","","","","1.232","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105339","8.4944","","8.4944","","8.1313","","90","","90","","90","","586.713","","","","","","","","","","","","","4","I 4","I 4","79","","Ag Bi (Cr2 O7)2","","- Ag Bi Cr4 O14 -","- Ag Bi Cr4 O14 -","- Ag2 Bi2 Cr8 O28 -","2","0.25","","Roult, G.; Riou, A.","Etude par Diffraction X et par Diffraction Neutronique en Temps de Vol de la Structure de Ag Bi (Cr2 O7)2","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1327","1331","10.1107/S0567740880006024","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106473","14.919","","14.919","","7.609","","90","","90","","90","","1693.58","","","","","","","","","","","","","3","I 4","I 4","79","","Ba (Fe F5)","","- Ba F5 Fe -","- Ba F5 Fe -","- Ba16 F80 Fe16 -","16","2","","von der Muehll, R.; Andersson, S.; Galy, J.","Sur quelques fluometallates alcalino-terreux. I. Structure cristalline de Ba Fe F5 et Sr Al F5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2345","2353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106474","14.089","","14.089","","7.617","","90","","90","","90","","1511.97","","","","","","","","","","","","","3","I 4","I 4","79","","Sr (Al F5)","","- Al F5 Sr -","- Al F5 Sr -","- Al16 F80 Sr16 -","16","2","","von der Muehll, R.; Andersson, S.; Galy, J.","Sur quelques fluometallates alcalino-terreux. I. Structure cristalline de Ba Fe F5 et Sr Al F5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2345","2353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2205445","10.4974","0.001","10.4974","0.001","4.0967","0.0007","90","","90","","90","","451.44","0.1","150","2","150","2","","","","","","","","3","I 4","I 4","79","metaldehyde","2,4,6,8-tetramethyl-1,3,5,7-tetroxocane","","- C8 H16 O4 -","- C8 H16 O4 -","- C16 H32 O8 -","2","0.25","CI6537","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","A low-temperature redetermination of metaldehyde","Acta Crystallographica Section E","2005","61","4","o857","o859","10.1107/S1600536805006306","","","0.71073","MoKα","","0.0289","0.0288","","","0.0732","0.0732","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2230031","22.527","0.006","22.527","0.006","10.29","0.004","90","","90","","90","","5222","3","293","2","293","2","","","","","","","","5","I 4","I 4","79","","[<i>N</i>-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)threoninato- κ^2^<i>O</i>^1^,<i>N</i>](1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) hemihydrate","","- C24 H22 Cu N3 O5.5 -","- C24 H22 Cu N3 O5.5 -","- C192 H176 Cu8 N24 O44 -","8","1","HY2419","Jing, Buqin; Li, Lianzhi; Dong, Jianfang; Li, Jinghong","[<i>N</i>-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)threoninato-κ^2^<i>O</i>^1^,<i>N</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) hemihydrate","Acta Crystallographica Section E","2011","67","5","m536","","10.1107/S1600536811012049","","","0.71073","MoKα","","0.1458","0.0762","","","0.2012","0.267","","","","","","0.898","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2310939","4.1","","4.1","","5.03","","90","","90","","90","","84.554","","","","","","","","","","","","","2","I 4","I 4","79","","Th H2","","- H2 Th -","- H2 Th -","- H4 Th2 -","2","0.25","","Rundle, R.E.; Shull, C.G.; Woolan, E.O.","The crystal structure of thorium and zirconium dihydrides by x-ray and neutron diffraction","Acta Crystallographica (1,1948-23,1967)","1952","5","","22","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310940","3.52","","3.52","","4.449","","90","","90","","90","","55.125","","","","","","","","","","","","","2","I 4","I 4","79","","Zr H2","","- H2 Zr -","- H2 Zr -","- H4 Zr2 -","2","0.25","","Rundle, R.E.; Shull, C.G.; Wollan, E.O.","The crystal structure of thorium and zirconium dihydrides by x-ray and neutron diffraction","Acta Crystallographica (1,1948-23,1967)","1952","5","","22","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4020849","31.2194","0.0016","31.2194","0.0016","9.953","0.0007","90","","90","","90","","9700.7","1","293","2","293","2","","","","","","","","7","I 4","I 4","79","","","","- C46 H50 B N O7 S Si -","- C46 H50 B N O7 S Si -","- C368 H400 B8 N8 O56 S8 Si8 -","8","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020902","18.7908","0.0004","18.7908","0.0004","8.8313","0.0003","90","","90","","90","","3118.28","0.14","150","1","150","1","","","","","","","","4","I 4","I 4","79","","","","- C18 H18.5 O1.25 S -","- C18 H18 O1.25 S -","- C144 H144 O10 S8 -","8","1","","Paul Leong; Mark Lautens","Rhodium-Catalyzed Asymmetric Ring Opening of Oxabicyclic Alkenes with Sulfur Nucleophiles","Journal of Organic Chemistry","2004","69","","2194","2196","10.1021/jo035730e","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4024284","22.368","0.0007","22.368","0.0007","23.151","0.0004","90","","90","","90","","11583.1","0.6","293","","293","","","","","","","","see text","4","I 4","I 4","79","","","","- C72 H128 O62 S4 -","- C72 H80 O62 S4 -","- C288 H320 O248 S16 -","4","0.5","","Lukáš Kumprecht; Miloš Buděsínský; Jiří Vondrášek; Jiří Vymětal; Jiří Čěrný; Ivana Císařová; Jiří Brynda; Vladimír Herzig; Petr Koutník; Jiří Závada; Tomáš Kraus","Rigid Duplex α-Cyclodextrin Reversibly Connected With Disulfide Bonds. Synthesis and Inclusion Complexes","Journal of Organic Chemistry","2009","74","","1082","1092","10.1021/jo802139s","","x-ray","0.71073","MoKα","","0.161","0.1343","","","0.343","0.3687","","","","","","2.784","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4027210","36.7114","0.0004","36.7114","0.0004","6.5334","0.0001","90","","90","","90","","8805.24","0.19","120","2","120","2","","","","","","","","4","I 4","I 4","79","","","","- C19 H26 N2 O8 -","- C19 H26 N2 O8 -","- C304 H416 N32 O128 -","16","2","","Jory Lietard; Christian J. Leumann","Synthesis, Pairing, and Cellular Uptake Properties of C(6')-Functionalized Tricyclo-DNA","Journal of Organic Chemistry","2012","77","","4566","4577","10.1021/jo300648u","","","0.71073","MoKα","","0.1122","0.076","","","0.1836","0.2037","","","","","","1.026","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4028847","16.9621","0.0003","16.9621","0.0003","9.6648","0.0003","90","","90","","90","","2780.69","0.11","150","","150","","","","","","","","","4","I 4","I 4","79","","","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C88 H152 N8 O40 -","8","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","1.54184","CuKα","","0.0465","0.0417","","0.1219","0.1131","0.1219","","","","","","0.9592","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4031372","12.81","","12.81","","7.282","","90","","90","","90","","1194.95","","","","","","","","","","","","","3","I 4","I 4","79","","Sb Cl3 F2","","- Cl3 F2 Sb -","- Cl3 F2 Sb -","- Cl24 F16 Sb8 -","8","1","","Ballard, J.G.; Slim, D.R.; Birchall, T.","Preparation of antimony(V) trichloride difluoride and its characterization by means of X-Ray crystallography, antimony-121 Moessbauer, and Raman spectroscopy","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1977","1977","","1469","1472","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4032511","28.8531","0.0006","28.8531","0.0006","10.2856","0.0002","90","","90","","90","","8562.8","0.3","200","2","200","2","","","","","","","","7","I 4","I 4","79","","","","- C38 H40 Cl N2 O2 Rh S -","- C38 H40 Cl N2 O2 Rh S -","- C304 H320 Cl8 N16 O16 Rh8 S8 -","8","1","","Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations.","The Journal of organic chemistry","2017","82","11","5607","5615","10.1021/acs.joc.7b00436","","","0.71073","MoKα","","0.0724","0.0522","","","0.111","0.1212","","","","","","1.06","","","","has coordinates","197471","2020-10-21","18:00:00",""
"4034874","28.813","0.002","28.813","0.002","6.1244","0.0007","90","","90","","90","","5084.4","0.8","93","","93","","","","","","","","","4","I 4","I 4","79","","","","- C26 H40 O5.25 Si -","- C26 H40 O5.0625 Si -","- C208 H320 O40.5 Si8 -","8","1","","Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki","Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.","The Journal of organic chemistry","2018","83","22","13888","13910","10.1021/acs.joc.8b02219","","","0.71073","MoKα","","0.0699","0.0584","","","0.1425","0.1485","","","","","","1.053","","","","has coordinates,has disorder","226394","2020-10-21","18:00:00",""
"4068322","25.967","0.003","25.967","0.004","8.1833","0.0011","90","","90","","90","","5517.9","1.3","250","","250","","","","","","","","","4","I 4","I 4","79","","","","- C31 H40 Fe O2.5 -","- C31 H39 Fe O2.5 -","- C248 H312 Fe8 O20 -","8","1","","Top, Siden; Thibaudeau, Céline; Vessières, Anne; Brulé, Emilie; Le Bideau, Franck; Joerger, Jean-Michel; Plamont, Marie-Aude; Samreth, Soth; Edgar, Alan; Marrot, Jérôme; Herson, Patrick; Jaouen, Gérard","Synthesis and Structure Activity Relationship of Organometallic Steroidal Androgen Derivatives","Organometallics","2009","28","5","1414","","10.1021/om800698y","","","0.71073","MoKα","","0.0951","0.0536","","0.067","0.0569","0.0569","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069126","23.821","0.003","23.821","0.003","15.377","0.002","90","","90","","90","","8725.5","1.9","120","1","120","1","","","","","","","","4","I 4","I 4","79","1b","","","- C45 H70 N2 O1.5 -","- C45 H66 N2 O1.5 -","- C360 H528 N16 O12 -","8","1","","Ohno, Kouji; Arima, Kenji; Tanaka, Shinji; Yamagata, Tsuneaki; Tsurugi, Hayato; Mashima, Kazushi","Synthesis and Characterization of Proximal Dinuclear Complexes of Palladium Supported by 2,6-Bis(arylimino)phenoxy (aryl = 2,6-diisopropylphenyl and 2,4,6-tri-tert-butylphenyl) and 3,6-Bis(imino(2,6-diisopropylphenyl))pyridazine Ligands","Organometallics","2009","28","11","3256","","10.1021/om900043u","","","0.71075","MoKα","","0.1239","0.0883","","","0.2463","0.2801","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105586","21.3411","0.0002","21.3411","0.0002","27.0738","0.0003","90","","90","","90","","12330.6","0.2","173","2","173","2","","","","","","","R. Cink / Prof. C. Forsyth","5","I 4","I 4","79","97329b","","","- C55 H74 N2 O10 Si -","- C55 H74 N2 O10 Si -","- C440 H592 N16 O80 Si8 -","8","1","","Bo Wang; T. Matthew Hansen; Lynn Weyer; Dimao Wu; Ting Wang; Mathias Christmann; Yingtao Lu; Lu Ying; Mary M. Engler; Russell D. Cink; Chi-Sing Lee; Feryan Ahmed; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Convergent Total Synthesis","Journal of the American Chemical Society","2011","133","","1506","1516","10.1021/ja1089099","","","0.71073","MoKα","","0.1186","0.0712","","0.1939","0.1711","","","","1.008","1.21","1.21","","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4114130","30.797","0.0008","30.797","0.0008","25.8915","0.0013","90","","90","","90","","24556.9","1.5","193","2","193","2","","","","","","","","7","I 4","I 4","79","","","","- C356 H569 Ba2 Cl6 N99 O109 Si16 -","- C355.96 H551 Ba2 Cl6 N98.98 O109 Si16 -","- C711.92 H1102 Ba4 Cl12 N197.96 O218 Si32 -","2","0.25","","Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis","Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes","Journal of the American Chemical Society","2003","125","","10830","10841","10.1021/ja035267n","","","0.71073","MoKα","","0.0798","0.0595","","","0.1594","0.1816","","","","","","1.102","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114594","30.622","0.007","30.622","0.007","25.748","0.008","90","","90","","90","","24144","11","153","2","153","2","","","","","","","","7","I 4","I 4","79","5'-tert-butyldimethylsilyl-2',3'-isopropylidene guanosine-Cs/Na picrate G-quartet","","","- C357 H546 Cs0.92 N106.5 Na3.08 O108 Si16 -","- C89.255 H133.14 Cs0.2325 N26.63 Na0.7675 O27 Si4 -","- C714.04 H1065.12 Cs1.86 N213.04 Na6.14 O216 Si32 -","8","1","","Alan Wong; James C. Fettinger; Scott L. Forman; Jeffery T. Davis; Gang Wu","The Sodium Ions Inside a Lipophilic G-Quadruplex Channel as Probed by Solid-State 23Na NMR","Journal of the American Chemical Society","2002","124","","742","743","10.1021/ja0120330","","","0.71073","MoKα","","0.0819","0.062","","","0.1666","0.185","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115611","30.78","0.004","30.78","0.004","25.831","0.005","90","","90","","90","","24473","7","193","2","193","2","","","","","","","","6","I 4","I 4","79","","","","- C176.38 H281 Ba N52 O59.5 Si8 -","- C176.39 H270.06 Ba N52.01 O59.5 Si8 -","- C705.56 H1080.24 Ba4 N208.04 O238 Si32 -","4","0.5","","Xiaodong Shi; James C. Fettinger; Jeffery T. Davis","Homochiral G-Quadruplexes with Ba2+ but Not with K+: The Cation Programs Enantiomeric Self-Recognition","Journal of the American Chemical Society","2001","123","","6738","6739","10.1021/ja004330v","","","0.71073","MoKα","","0.0994","0.0804","","","0.205","0.2203","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115919","19.3979","0.0004","19.3979","0.0004","11.3278","0.0003","90","","90","","90","","4262.41","0.17","125","","125","","","","","","","","","6","I 4","I 4","79","","","","- C44 H108 Cl8 N6 O33 V12 -","- C44 H108 Cl8 N6 O33 V12 -","- C88 H216 Cl16 N12 O66 V24 -","2","0.25","","N. Kawanami; T. Ozeki; A. Yagasaki","NO-Anion Trapped in a Molecular Oxide Bowl","Journal of the American Chemical Society","2000","122","","1239","1240","10.1021/ja993539+","","","0.71073","MoKα","","0.0325","0.0286","","","0.0745","0.0757","","","","","","1.084","","","","has coordinates,has disorder","178930","2020-10-21","18:00:00",""
"4116422","19.913","0.001","19.913","0.001","9.269","0.001","90","0.001","90","0.001","90","0.001","3675.4","0.5","298","","","","","","","","","","Local laboratory","4","I 4","I 4","79","","","","- C19 H25 N4 P -","- C19 H25 N4 P -","- C152 H200 N32 P8 -","8","1","","Jean Michel Brunel; Olivier Legrand; Sébastien Reymond; Gérard Buono","First Iminodiazaphospholidines with a Stereogenic Phosphorus Center. Application to Asymmetric Copper-Catalyzed Cyclopropanation","Journal of the American Chemical Society","1999","121","","5807","5808","10.1021/ja984295g","","","0.71073","xray","","","0.041","","","0.187","","","","","1.894","1.894","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4117237","24.136","0.006","24.136","0.006","15.454","0.004","90","","90","","90","","9003","4","93","2","93","2","","","","","","","","4","I 4","I 4","79","","","","- C25 H45 Cs O22 -","- C25 H43 Cs O21 -","- C200 H344 Cs8 O168 -","8","1","","Ross S. Forgan; Ronald A. Smaldone; Jeremiah J. Gassensmith; Hiroyasu Furukawa; David B. Cordes; Qiaowei Li; Christopher E. Wilmer; Youssry Y. Botros; Randall Q. Snurr; Alexandra M. Z. Slawin; J. Fraser Stoddart","Nanoporous Carbohydrate Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","406","417","10.1021/ja208224f","","","0.71073","MoKα","","0.0799","0.0799","","","0.2377","0.2378","","","","","","1.12","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4121495","27.175","0.0009","27.175","0.0009","5.2579","0.0002","90","","90","","90","","3882.9","0.2","100","2","100","2","","","","","","","","6","I 4","I 4","79","","","","- C22 H19 Br N O P -","- C22 H19 Br N O P -","- C176 H152 Br8 N8 O8 P8 -","8","1","","Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.","NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.","Journal of the American Chemical Society","2014","136","9","3362","3365","10.1021/ja500373s","","","0.71073","MoKα","","0.1098","0.077","","","0.1752","0.1901","","","","","","1.058","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4126469","15.0567","0.0006","15.0567","0.0006","7.3781","0.0003","90","","90","","90","","1672.65","0.12","100","2","100","2","","","","","","","","4","I 4","I 4","79","","","","- C6 H14 Cl N -","- C6 H14 Cl N -","- C48 H112 Cl8 N8 -","8","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.0338","0.0277","","","0.049","0.0506","","","","","","1.075","","","","has coordinates","201267","2020-10-21","18:00:00",""
"4130833","25.0036","0.0009","25.0036","0.0009","23.9683","0.0008","90","","90","","90","","14984.5","0.9","100","","100","","","","","","","","","6","I 4","I 4","79","","","","- C67.5 H55.5 Cl8.5 N5 O3.25 Rh -","- C67.5 H55.5 Cl8.5 N5 O3.25 Rh -","- C540 H444 Cl68 N40 O26 Rh8 -","8","1","","Nakamura, Munechika; Kishimoto, Kazuki; Kobori, Yasuhiro; Abe, Tomoka; Yoza, Kenji; Kobayashi, Kenji","Self-Assembled Molecular Gear: A 4:1 Complex of Rh(III)Cl Tetraarylporphyrin and Tetra(p-pyridyl)cavitand.","Journal of the American Chemical Society","2016","138","38","12564","12577","10.1021/jacs.6b07284","","","0.71073","MoKα","","0.1006","0.0837","","","0.23","0.2459","","","","","","1.065","","","","has coordinates,has disorder","241193","2020-10-21","18:00:00",""
"4132809","13.3796","0.0002","13.3796","0.0002","9.7766","0.0003","90","","90","","90","","1750.15","0.07","293","2","293","2","","","","","","","","5","I 4","I 4","79","Titanyl Tetraphenylporphyrin","","","- C44 H28 N4 O Ti -","- C44 H28 N4 O Ti -","- C88 H56 N8 O2 Ti2 -","2","0.25","","Yamabayashi, Tsutomu; Atzori, Matteo; Tesi, Lorenzo; Cosquer, Goulven; Santanni, Fabio; Boulon, Marie-Emmanuelle; Morra, Elena; Benci, Stefano; Torre, Renato; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta; Yamashita, Masahiro","Scaling Up Electronic Spin Qubits into a Three-Dimensional Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","38","12090","12101","10.1021/jacs.8b06733","","","1.54184","CuKα","","0.0579","0.0503","","","0.1325","0.1399","","","","","","1.037","","","","has coordinates,has disorder","242710","2020-10-21","18:00:00",""
"4135264","30.7532","0.0012","30.7532","0.0012","23.0554","0.0004","90","","90","","90","","21804.9","1.3","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H208 F168 N24 O64 Tb8 -","- C356 H208 F168 N24 O64 Tb8 -","- C712 H416 F336 N48 O128 Tb16 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.0659","0.0493","","","0.1079","0.1152","","","","","","1.026","","","","has coordinates,has disorder","256949","2020-10-21","18:00:00",""
"4135265","30.7803","0.0014","30.7803","0.0014","23.1544","0.0005","90","","90","","90","","21937.1","1.5","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H224 Eu8 F168 N24 O64 -","- C356 H224 Eu8 F168 N24 O64 -","- C712 H448 Eu16 F336 N48 O128 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.0722","0.0489","","","0.1057","0.1153","","","","","","1.018","","","","has coordinates,has disorder","256950","2020-10-21","18:00:00",""
"4135267","30.7047","0.0018","30.7047","0.0018","23.1299","0.0007","90","","90","","90","","21806.4","1.9","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H204 Eu8 F168 N24 O64 -","- C356 H204 Eu8 F168 N24 O64 -","- C712 H408 Eu16 F336 N48 O128 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.1044","0.067","","","0.1502","0.1673","","","","","","1.033","","","","has coordinates,has disorder","256952","2020-10-21","18:00:00",""
"4135268","30.7233","0.0013","30.7233","0.0013","23.0251","0.0005","90","","90","","90","","21733.9","1.4","123","","123","","","","","","","","","6","I 4","I 4","79","","","","- C356 H208 F168 N24 O64 Tb8 -","- C356 H208 F168 N24 O64 Tb8 -","- C712 H416 F336 N48 O128 Tb16 -","2","0.25","","Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi","Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08229","","","0.71075","MoKα","","0.0746","0.0489","","","0.1031","0.1171","","","","","","1.039","","","","has coordinates,has disorder","256953","2020-10-21","18:00:00",""
"4306373","16.927","0.006","16.927","0.006","6.085","0.0012","90","","90","","90","","1743.5","0.9","293","2","293","2","","","","","","","","4","I 4","I 4","79","","tetrakis(mu-dithiocyclohexanecarboxylato)diplatinum","","- C28 H44 Pt2 S8 -","- C28 H44 Pt2 S8 -","- C56 H88 Pt4 S16 -","2","0.25","","Alejandro Guijarro; Óscar Castillo; Arrigo Calzolari; Pablo J. Sanz Miguel; Carlos J. Gómez-García; Rosa di Felice; Félix Zamora","Electrical Conductivity in Platinum-Dimer Columns","Inorganic Chemistry","2008","47","","9736","9738","10.1021/ic801211m","","","0.71073","MoKα","","","0.0245","","","","0.0377","","","","","","0.83","","","","has coordinates","179101","2020-10-21","18:00:00",""
"4307087","25.048","0.004","25.048","0.004","8.611","0.003","90","","90","","90","","5403","2","173","2","173","2","","","","","","","","5","I 4","I 4","79","05308s","","","- C84 H100 Cu4 N8 S4 -","- C84 H100 Cu4 N8 S4 -","- C168 H200 Cu8 N16 S8 -","2","0.25","","Eric C. Brown; Itsik Bar-Nahum; John T. York; Nermeen W. Aboelella; William B. Tolman","Ligand Structural Effects on Cu2S2 Bonding and Reactivity in Side-On Disulfido-Bridged Dicopper Complexes","Inorganic Chemistry","2007","46","","486","496","10.1021/ic061589r","","","0.71073","MoKα","","0.073","0.057","","","0.1272","0.1326","","","","","","1.074","","","","has coordinates","179108","2020-10-21","18:00:00",""
"4311960","17.098","0.002","17.098","0.002","9.673","0.002","90","","90","","90","","2827.8","0.7","193","2","193","2","","","","","","","","9","I 4","I 4","79","","Chlorotetrakis(3,4-dimethyl-2,5-diethylimidazolylidene)oxorhenium(V)- bis(hexafluorophosphate) x 2 KPF6","","- C36 H64 Cl F24 K2 N8 O P4 Re -","- C36 H64 Cl F24 K2 N8 O P4 Re -","- C72 H128 Cl2 F48 K4 N16 O2 P8 Re2 -","2","0.25","","Theresa I. Kückmann; Ulrich Abram","Rhenium(V) Oxo Complexes with N-Heterocyclic Carbenes","Inorganic Chemistry","2004","43","","7068","7074","10.1021/ic0497578","","","0.71073","MoKα","","0.0629","0.0491","","","0.0978","0.1053","","","","","","0.977","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4313720","16.3605","0.0004","16.3605","0.0004","17.7836","0.001","90","","90","","90","","4760.1","0.3","213","2","213","2","","","","","","","","7","I 4","I 4","79","Ni5(etda)4(PF6)3 4Acetone","","","- C88 H100 F18 N20 Ni5 O4 P3 -","- C88 H100 F18 N20 Ni5 O4 P3 -","- C176 H200 F36 N40 Ni10 O8 P6 -","2","0.25","","John F. Berry; F. Albert Cotton; Peng Lei; Tongbu Lu; Carlos A. Murillo","Additional Steps toward Molecular Scale Wires: Further Study of Ni510/11+ Chains Embraced by Polypyridylamide Ligands","Inorganic Chemistry","2003","42","","3534","3539","10.1021/ic034071l","","","0.71073","MoKα","","0.0496","0.0407","","","0.1139","0.1259","","","","","","1.068","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4314852","41.803","0.002","41.803","0.002","15.7889","0.0016","90","","90","","90","","27591","3","150","2","150","2","","","","","","","","6","I 4","I 4","79","","","","- C86 H192 N8 O60 S W18 -","- C73 H139 N5.5 O60 S W18 -","- C584 H1112 N44 O480 S8 W144 -","8","1","","Jun Yan; De-Liang Long; Haralampos N. Miras; Leroy Cronin","Cation Controlled Assembly and Transformation of Mono- and Bi-Sulfite Templated Dawson-Type Polyoxotungstates","Inorganic Chemistry","2010","49","","1819","1825","10.1021/ic9021646","","","0.71073","MoKα","","0.0333","0.0297","","","0.068","0.0693","","","","","","1.029","","","","has coordinates,has disorder","179228","2020-10-21","18:00:00",""
"4317440","16.5767","0.0018","16.5767","0.0018","31.602","0.007","90","","90","","90","","8684","2","170","2","170","2","","","","","","","","7","I 4","I 4","79","DY-TYR-I","","","- C72 H96 Cl10 Dy12 I2 N8 O94 -","- C72 H96 Cl10 Dy12 I2 N8 O94 -","- C144 H192 Cl20 Dy24 I4 N16 O188 -","2","0.25","","Ruiyao Wang; Hugh D. Selby; Hui Liu; Michael D. Carducci; Tianzhu Jin; Zhiping Zheng; Jeffery W. Anthis; Richard J. Staples","Halide-Templated Assembly of Polynuclear Lanthanide-Hydroxo Complexes","Inorganic Chemistry","2002","41","","278","286","10.1021/ic010859x","","","0.71073","MoKα","","0.1001","0.0526","","","0.1266","0.1534","","","","","","1.055","","","","has coordinates","179254","2020-10-21","18:00:00",""
"4317441","16.355","0.002","16.355","0.002","31.026","0.006","90","","90","","90","","8299","2","293","2","293","2","","","","","","","","7","I 4","I 4","79","Er-Tyr-I","","","- C72 H96 Cl10 Er12 I2 N8 O100 -","- C72 H96 Cl10 Er12 I2 N8 O100 -","- C144 H192 Cl20 Er24 I4 N16 O200 -","2","0.25","","Ruiyao Wang; Hugh D. Selby; Hui Liu; Michael D. Carducci; Tianzhu Jin; Zhiping Zheng; Jeffery W. Anthis; Richard J. Staples","Halide-Templated Assembly of Polynuclear Lanthanide-Hydroxo Complexes","Inorganic Chemistry","2002","41","","278","286","10.1021/ic010859x","","","0.71073","MoKα","","0.2378","0.0858","","","0.1976","0.2722","","","","","","0.969","","","","has coordinates","179254","2020-10-21","18:00:00",""
"4320950","24","0.01","24","0.01","8.693","0.004","90","","90","","90","","5007","4","298","","298","","","","","","","","","7","I 4","I 4","79","","","","- C24.25 H28 N O2.25 P Re S2 -","- C24.25 H27 N O2.25 P Re S2 -","- C194 H216 N8 O18 P8 Re8 S16 -","8","1","","Berthold Nock; Theodosia Maina; Francesco Tisato; Minas Papadopoulos; Catherine P. Raptopoulou; Aris Terzis; Efstratios Chiotellis","Synthesis and Characterization of Six-Coordinate ""3 + 2"" Mixed-Ligand Oxorhenium Complexes with theo-Diphenylphosphinophenolato Ligand and Tridentate Coligands of Different N and S Donor Atom Combinations","Inorganic Chemistry","2000","39","","2178","2184","10.1021/ic991341k","","","0.71073","MoKα","","0.0539","0.0378","","0.0993","0.0899","","","","1.076","1.077","1.077","","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4322781","13.783","0.002","13.783","0.002","9.909","0.002","90","0","90","0","90","0","1882.4","0.5","298","","","","","","","","","","Aida laboratory","4","I 4","I 4","79","","","","- C48 H34 N4 Si -","- C46.5 H31 N4 Si0.25 -","- C93 H62 N8 Si0.5 -","2","0.25","","Jian-Yu Zheng; Katsuaki Konishi; Takuzo Aida","Crystallographic Studies of Organosilicon Porphyrins: Stereoelectronic Effects of Axial Groups on the Nonplanarity of the Porphyrin Ring","Inorganic Chemistry","1998","37","","2591","2594","10.1021/ic971266i","","","1.54178","CuK-alpha","","","0.062","","","0.079","","","","","1.114","1.114","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327218","18.68","0.003","18.68","0.003","24.73","0.005","90","","90","","90","","8629","3","173","2","173","2","","","","","","","","7","I 4","I 4","79","","","","- C22 H50 F18 Mn2 N6 O4 P3 -","- C22 H50 F13 Mn2 N6 O4 P2.25 -","- C176 H400 F104 Mn16 N48 O32 P18 -","8","1","","Vladimir B. Romakh; Bruno Therrien; Georg Süss-Fink; Georgiy B. Shul'pin","Dinuclear Manganese Complexes Containing Chiral 1,4,7-Triazacyclononane-Derived Ligands and Their Catalytic Potential for the Oxidation of Olefins, Alkanes, and Alcohols","Inorganic Chemistry","2007","46","","1315","1331","10.1021/ic061950+","","","0.71073","MoKα","","0.1371","0.0669","","","0.1497","0.1698","","","","","","0.799","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4335731","29.5335","0.0013","29.5335","0.0013","5.5624","0.0003","90","","90","","90","","4851.7","0.4","110","2","110","2","","","","","","","","4","I 4","I 4","79","","","","- C18 H3 Br F26 -","- C18 H3 Br F26 -","- C144 H24 Br8 F208 -","8","1","","Subrata K. Ghosh; Ann Sullivan Ojeda; Juan Guerrero-Leal; Nattamai Bhuvanesh; John A. Gladysz","New Media for Classical Coordination Chemistry: Phase Transfer of Werner and Related Polycations into Highly Nonpolar Fluorous Solvents","Inorganic Chemistry","2013","52","","9369","9378","10.1021/ic400945u","","","1.54178","CuKα","","0.0198","0.019","","","0.0466","0.047","","","","","","1.051","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4341378","16.8162","0.0002","16.8162","0.0002","31.4122","0.0007","90","","90","","90","","8882.9","0.2","150","2","150","2","","","","","","","","8","I 4","I 4","79","","","","- C80 H108 Br5 F6 N8 Ni4 O2 P -","- C80 H108 Br5 F6 N8 Ni4 O2 P -","- C320 H432 Br20 F24 N32 Ni16 O8 P4 -","4","0.5","","Zhou, You-Yun; Hartline, Douglas R.; Steiman, Talia J.; Fanwick, Phillip E.; Uyeda, Christopher","Dinuclear nickel complexes in five States of oxidation using a redox-active ligand.","Inorganic chemistry","2014","53","21","11770","11777","10.1021/ic5020785","","","1.54178","CuKα","","0.0554","0.0518","","","0.152","0.1604","","","","","","1.083","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341385","13.5374","0.0002","13.5374","0.0002","9.8247","0.0002","90","","90","","90","","1800.49","0.05","296","2","296","2","","","","","","","","5","I 4","I 4","79","","","","- C44 H28 Cl Fe N4 -","- C44 H28 Cl Fe N4 -","- C88 H56 Cl2 Fe2 N8 -","2","0.25","","Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling","Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures.","Inorganic chemistry","2014","53","21","11552","11562","10.1021/ic5015835","","","0.71073","MoKα","","0.0338","0.0318","","","0.0872","0.0885","","","","","","1.059","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341386","13.504","0.003","13.504","0.003","9.731","0.01","90","","90","","90","","1774.5","1.9","143","2","143","2","","","","","","","","5","I 4","I 4","79","Fe(TPP)Cl","Chloro(meso-tetraphenylporphyrinato)iron(Ill)","","- C44 H28 Cl Fe N4 -","- C44 H28 Cl Fe N4 -","- C88 H56 Cl2 Fe2 N8 -","2","0.25","","Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling","Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures.","Inorganic chemistry","2014","53","21","11552","11562","10.1021/ic5015835","","","0.71073","MoKα","","0.0543","0.0481","","","0.1396","0.1487","","","","","","1.063","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341387","13.483","0.0005","13.483","0.0005","9.6849","0.0006","90","","90","","90","","1760.63","0.14","20","2","20","2","","","","","","","","5","I 4","I 4","79","Fe(TPP)Cl","Chloro(meso-tetraphenylporphyrinato)iron(Ill)","","- C44 H28 Cl Fe N4 -","- C44 H28 Cl Fe N4 -","- C88 H56 Cl2 Fe2 N8 -","2","0.25","","Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling","Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures.","Inorganic chemistry","2014","53","21","11552","11562","10.1021/ic5015835","","","0.41328","synchrotron","","0.0437","0.0352","","","0.1016","0.1092","","","","","","1.03","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341388","13.4761","0.0006","13.4761","0.0006","9.6889","0.0006","90","","90","","90","","1759.56","0.16","20","2","20","2","","","","","","","","5","I 4","I 4","79","Fe(TPP)Cl","Chloro(meso-tetraphenylporphyrinato)iron(Ill)","","- C44 H28 Cl Fe N4 -","- C44 H28 Cl Fe N4 -","- C88 H56 Cl2 Fe2 N8 -","2","0.25","","Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling","Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures.","Inorganic chemistry","2014","53","21","11552","11562","10.1021/ic5015835","","","0.8388","neutron","","0.0588","0.0399","","","0.0697","0.0757","","","","","","1.137","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4347958","18.4142","0.0012","18.4142","0.0012","10.3199","0.0009","90","","90","","90","","3499.3","0.4","108","","108","","","","","","","","","5","I 4","I 4","79","","","","- C66 H90 N6 O4 Tb -","- C66 H90 N6 O4 Tb -","- C132 H180 N12 O8 Tb2 -","2","0.25","","Nakai, Hidetaka; Seo, Juncheol; Kitagawa, Kazuhiro; Goto, Takahiro; Nonaka, Kyoshiro; Matsumoto, Takahiro; Ogo, Seiji","Control of Lanthanide Coordination Environment: Synthesis, Structure, and Oxygen-Sensitive Luminescence Properties of an Eight-Coordinate Tb(III) Complex.","Inorganic chemistry","2016","55","13","6609","6615","10.1021/acs.inorgchem.6b00800","","","0.71075","MoKα","","0.0364","0.0353","","","0.0918","0.0922","","","","","","1.092","","","","has coordinates","232593","2020-10-21","18:00:00",""
"4349403","34.422","0.0005","34.422","0.0005","15.4107","0.0005","90","","90","","90","","18259.7","0.7","173","2","173","1","","","","","","","","9","I 4","I 4","79","","","","- C63 H64 Ag3 F9 N8 O9 P8 S3 Se4 -","- C60 H64 Ag3 N8 P8 Se4 -","- C480 H512 Ag24 N64 P64 Se32 -","8","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","0.71073","MoKα","","0.1072","0.0753","","","0.2193","0.2397","","","","","","1.029","","","","has coordinates,has disorder","233945","2020-10-21","18:00:00",""
"4500754","42.0448","0.0003","42.0448","0.0003","15.6967","0.0002","90","","90","","90","","27748.1","0.5","150","2","150","2","","","","","","","","6","I 4","I 4","79","","","","- C86 H192 Bi N8 O60 W18 -","- C58.2 Bi N5 O60 W18 -","- C465.6 Bi8 N40 O480 W144 -","8","1","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0657","0.0389","","","0.0787","0.0822","","","","","","0.903","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4504785","13.9892","0.0005","13.9892","0.0005","9.384","0.0003","90","","90","","90","","1836.43","0.11","110","2","110","2","","","","","","","","6","I 4","I 4","79","","","","- C44 H30 Cl Mn N4 O5 -","- C44 H30 Cl Mn N4 O5 -","- C88 H60 Cl2 Mn2 N8 O10 -","2","0.25","","George, Sumod; Goldberg, Israel","Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections","Crystal Growth & Design","2006","6","3","755","","10.1021/cg050624m","","","0.71073","MoKα","","0.0483","0.0426","","","0.1134","0.118","","","","","","1.056","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4509785","17.9223","0.0006","17.9223","0.0006","33.2705","0.0019","90","","90","","90","","10686.8","0.8","100","2","100","2","","","","","","","","4","I 4","I 4","79","","","","- C120 H200 O76 U8 -","- C120 H168 O76 U8 -","- C240 H336 O152 U16 -","2","0.25","","Thuéry, Pierre","A Nanosized Uranyl Camphorate Cage and its Use as a Building Unit in a Metal−Organic Framework","Crystal Growth & Design","2009","9","11","4592","","10.1021/cg900851s","","","0.71073","MoKα","","0.0855","0.0509","","","0.1374","0.1474","","","","","","0.998","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509786","17.7501","0.0005","17.7501","0.0005","33.4349","0.0012","90","","90","","90","","10534.2","0.6","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C120 H224 Ba4 O92 U8 -","- C120 H168 Ba4 O92 U8 -","- C240 H336 Ba8 O184 U16 -","2","0.25","","Thuéry, Pierre","A Nanosized Uranyl Camphorate Cage and its Use as a Building Unit in a Metal−Organic Framework","Crystal Growth & Design","2009","9","11","4592","","10.1021/cg900851s","","","0.71073","MoKα","","0.0793","0.0499","","","0.1246","0.1345","","","","","","1.022","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4510506","24.227","0.0009","24.227","0.0009","15.9191","0.0004","90","","90","","90","","9343.7","0.5","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H170 Cu4 O89 U8 -","- C96 H120 Cu4 O89 U8 -","- C192 H240 Cu8 O178 U16 -","2","0.25","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0429","0.0394","","","0.1035","0.1056","","","","","","1.033","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4515769","22.2169","0.0005","22.2169","0.0005","10.9063","0.0003","90","","90","","90","","5383.2","0.2","200","2","200","","","","","","","","","7","I 4","I 4","79","","","","- C67.84 H95.68 Bi N4 O17.96 Rh S4 -","- C67.84 H95.68 Bi N4 O17.96 Rh S4 -","- C135.68 H191.36 Bi2 N8 O35.92 Rh2 S8 -","2","0.25","","Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry","ACS Catalysis","2018","8","11","10676","","10.1021/acscatal.8b03054","","x-ray","0.71073","MoKα","","0.0444","0.0361","","","0.0913","0.0956","","","","","","1.07","","","","has coordinates,has disorder","225894","2020-10-21","18:00:00",""
"6000547","8.739","","8.739","","12.32","","90","","90","","90","","940.88","","","","","","","","","","","","","3","I 4","","","","","","- Br Cl14 P3 -","","","","","","Gates, P. N.; Knachel, H. C.; Finch, A.; Fratini, A. V.; Fitch, A. N.; Nardone, O.; Otto, J. C.; Snider, D. A.","Single-crystal and high-resolution X-ray-diffraction studies and Raman-spectrum of a phosphorus(V) chloride complex containing a single bromide ion, P~3~Cl~14~Br","Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999)","1995","","","2719","2722","10.1039/DT9950002719","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000669","9.5058","","9.5058","","14.19","","90","","90","","90","","1282.21","","","","","","","","","","","","","6","I 4","","","","","","- C8 H24 Ge4 Mn N2 S10 -","","","","","","Achak, O.; Pivan, J. Y.; Maunaye, M.; Louer, M.; Louer, D.","The ab-initio structure determination of [(CH3)(4)N]2GE4MNS10 from X-ray-powder diffraction data","Journal of Alloys and Compounds","1995","219","","111","115","10.1016/0925-8388(94)05021-X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7010352","8.905","0.003","8.905","0.003","8.331","0.003","90","","90","","90","","660.6","0.4","150","2","150","2","","","","","","","","5","I 4","I 4","79","[12]aneS4 copper(I) iodide","1,4,7,10-tetrathiacyclododecane copper(I) iodide","","- C8 H16 Cu I S4 -","- C8 H16 Cu I S4 -","- C16 H32 Cu2 I2 S8 -","2","0.25","","Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin","Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles","Journal of the Chemical Society, Dalton Transactions","2001","","4","456","","10.1039/b008202n","","","0.71073","MoKα","","0.016","0.016","","","0.0396","0.0396","","","","","","1.099","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7010353","8.7331","0.0012","8.7331","0.0012","8.251","0.0017","90","","90","","90","","629.28","0.18","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C8 H16 Br Cu S4 -","- C8 H16 Br Cu S4 -","- C16 H32 Br2 Cu2 S8 -","2","0.25","","Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin","Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles","Journal of the Chemical Society, Dalton Transactions","2001","","4","456","","10.1039/b008202n","","","0.71073","MoKα","","0.0243","0.0242","","","0.0655","0.0664","","","","","","0.685","","","","has coordinates","179807","2020-10-21","18:00:00",""
"7010848","20.399","0.002","20.399","0.001","12.0635","0.0008","90","0.002","90","0.003","90","0.003","5019.9","0.6","296.2","","","","","","","","","","","4","I 4","I 4","79","","","","- C136 H92 Co N4 -","- C136 H92 Co N4 -","- C272 H184 Co2 N8 -","2","0.25","","Ishii, Tomohiko; Kanehama, Ryo; Aizawa, Naoko; Yamashita, Masahiro; Matsuzaka, Hiroyuki; Sugiura, Ken-ichi; Miyasaka, Hitoshi; Kodama, Takeshi; Kikuchi, Kouichi; Ikemoto, Isao; Tanaka, Hisaaki; Marumoto, Kazuhiro; Kuroda, Shin-Ichi","Fullerene C60 exhibiting a strong intermolecular interaction in a cocrystallite with C4 symmetrical cobalt tetrakis(di-tert-butylphenyl)porphyrin","Journal of the Chemical Society, Dalton Transactions","2001","","20","2975","","10.1039/b104514h","","","0.7107","MoKα","","","0.056","","","","0.1358","","","","","","1.944","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010849","19.9711","0.0004","19.9711","0.0004","11.997","0.0002","90","","90","","90","","4784.94","0.16","83.2","","","","","","","","","","","4","I 4","I 4","79","","","","- C136 H92 Co N4 -","- C136 H92 Co N4 -","- C272 H184 Co2 N8 -","2","0.25","","Ishii, Tomohiko; Kanehama, Ryo; Aizawa, Naoko; Yamashita, Masahiro; Matsuzaka, Hiroyuki; Sugiura, Ken-ichi; Miyasaka, Hitoshi; Kodama, Takeshi; Kikuchi, Kouichi; Ikemoto, Isao; Tanaka, Hisaaki; Marumoto, Kazuhiro; Kuroda, Shin-Ichi","Fullerene C60 exhibiting a strong intermolecular interaction in a cocrystallite with C4 symmetrical cobalt tetrakis(di-tert-butylphenyl)porphyrin","Journal of the Chemical Society, Dalton Transactions","2001","","20","2975","","10.1039/b104514h","","","0.7107","MoKα","","","0.0319","","","","0.0744","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012634","13.708","0.001","13.708","","18.078","0.002","90","","90","","90","","3397","0.5","296.2","","296.2","","","","","","","","","7","I 4","I 4","79","octa(prolinato)hexacopper(II)- sodium perchrolate methanol water solvate","","","- C41 H70 Cl5 Cu6 N8 Na O38 -","- C41 H64 Cl5 Cu6 N8 Na O38 -","- C82 H128 Cl10 Cu12 N16 Na2 O76 -","2","0.25","","Li-Yan Wang; Satoshi Igarashi; Yasuhiko Yukawa; Yoshimasa Hoshino; Olivier Roubeau; Guillem Aromí; Richard E. P. Winpenny","Synthesis, structure, and preliminary magnetic studies of unprecedented hexacopper(II) barrel clusters with spin ground state S= 3","Dalton Trans.","2003","","11","2318","2324","10.1039/b212494g","","","0.7107","MoKα","","","0.0371","","","","0.0509","","","","","","1.138","","","","has coordinates","288178","2023-12-08","09:51:08",""
"7017136","21.708","0.003","21.708","0.003","25.682","0.005","90","","90","","90","","12102","3","173","2","173","2","","","","","","","","5","I 4","I 4","79","","","","- C198 H200 Er9 N O42 -","- C192 H184 Er9 O42 -","- C384 H368 Er18 O84 -","2","0.25","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.71073","MoKα","","0.1035","0.066","","","0.1572","0.1712","","","","","","0.996","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7018477","31.9819","0.0012","31.9819","0.0012","25.3323","0.0011","90","","90","","90","","25910.9","1.8","173","2","173","2","","","","","","","","5","I 4","I 4","79","","","","- C106.25 H96.75 Co4 N11.25 O23.75 -","- C106.25 H88 Co4 N11.25 O23.75 -","- C850 H704 Co32 N90 O190 -","8","1","","Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle","A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4224","4231","10.1039/c2dt12016j","","","0.71073","MoKα","","0.1514","0.0764","","","0.2142","0.2718","","","","","","1.008","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018478","31.8199","0.0019","31.8199","0.0019","25.1149","0.0015","90","","90","","90","","25429","3","173","2","173","2","","","","","","","","5","I 4","I 4","79","","","","- C108.8 H98.7 N11.6 Ni4 O22.35 -","- C108.3 H92.95 N11.6 Ni4 O22.1 -","- C866.4 H743.6 N92.8 Ni32 O176.8 -","8","1","","Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle","A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4224","4231","10.1039/c2dt12016j","","","0.71073","MoKα","","0.202","0.1397","","","0.3935","0.4313","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021481","27.8478","0.0009","27.8478","0.0009","11.971","0.0007","90","","90","","90","","9283.5","0.7","220","2","220","2","","","","","","","","9","I 4","I 4","79","","","","- C31 H63 B Cl4 Cu3 Mo N8 O0.5 S3 -","- C31 H62 B Cl4 Cu3 Mo N8 O0.5 S3 -","- C248 H496 B8 Cl32 Cu24 Mo8 N64 O4 S24 -","8","1","","Zhang, Zhi-Yuan; Gong, Wei-Jie; Wang, Fan; Chen, Min-Min; Zhou, Li-Kuan; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Assembly of new Mo/Cu/S clusters from [Et4N][Tp*MoS(S4)] and Cu(i) salts: syntheses, structures and third-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9495","9504","10.1039/c3dt50759a","","","0.71073","MoKα","","0.1067","0.0698","","","0.1489","0.1642","","","","","","0.971","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024961","20.7957","0.0019","20.7957","0.0019","17.2989","0.0015","90","","90","","90","","7481.1","1.2","113","2","113","2","","","","","","","","6","I 4","I 4","79","","","","- C38 H38 N4 O4 S2 Zr -","- C38 H38 N4 O4 S2 Zr -","- C304 H304 N32 O32 S16 Zr8 -","8","1","","Zi, Guofu; Zhang, Furen; Xiang, Li; Chen, Yue; Fang, Weihai; Song, Haibin","Synthesis and characterization of group 4 metal amides with new C2-symmetric binaphthyldiamine-based ligands and their use as catalysts for asymmetric hydroamination/cyclization.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4048","4061","10.1039/b923457h","","","0.7107","MoKα","","0.0418","0.0372","","","0.0855","0.0882","","","","","","1.039","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7028328","21.5507","0.0005","21.5507","0.0005","22.5192","0.0014","90","","90","","90","","10458.7","0.7","153","2","153","2","","","","","","","","5","I 4","I 4","79","","","","- C224 H112 N16 O16 Y -","- C224 H112 N16 O16 Y -","- C448 H224 N32 O32 Y2 -","2","0.25","","Zhou, Hang; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang","Chiral bis(phthalocyaninato) yttrium double-decker complexes. Synthesis, structure, spectroscopy, and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1699","1705","10.1039/c3dt52611a","","","1.54178","CuKα","","0.0684","0.0644","","","0.157","0.1609","","","","","","1.058","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028329","21.6634","0.0005","21.6634","0.0005","22.6033","0.0014","90","","90","","90","","10607.8","0.7","153","2","153","2","","","","","","","","5","I 4","I 4","79","","","","- C224 H112 N16 O16 Y -","- C224 H112 N16 O16 Y -","- C448 H224 N32 O32 Y2 -","2","0.25","","Zhou, Hang; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang","Chiral bis(phthalocyaninato) yttrium double-decker complexes. Synthesis, structure, spectroscopy, and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1699","1705","10.1039/c3dt52611a","","","1.54178","CuKα","","0.0756","0.0609","","","0.1507","0.1601","","","","","","0.994","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7031864","13.8636","0.0009","13.8636","0.0009","34.6936","0.0018","90","","90","","90","","6668.1","0.7","291","2","291","2","","","","","","","","5","I 4","I 4","79","","","","- C112 H142 Cu4 N24 O35 -","- C112 H142 Cu4 N24 O35 -","- C224 H284 Cu8 N48 O70 -","2","0.25","","Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming","Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(ii) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17226","17229","10.1039/c4dt01671h","","","0.71073","MoKα","","0.063","0.0532","","","0.1298","0.1319","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031865","13.5331","0.0017","13.5331","0.0017","35.6444","0.0014","90","","90","","90","","6528.1","1.2","291","2","291","2","","","","","","","","5","I 4","I 4","79","","","","- C112 H142 Cu4 N24 O35 -","- C112 H142 Cu4 N24 O35 -","- C224 H284 Cu8 N48 O70 -","2","0.25","","Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming","Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(ii) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17226","17229","10.1039/c4dt01671h","","","0.71073","MoKα","","0.0568","0.0571","","","0.1351","0.1351","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7037214","13.512","0.003","13.512","0.003","18.097","0.006","90","","90","","90","","3304","1.5","100","2","100","2","","","","","","","","7","I 4","I 4","79","","","","- C40.58 H68 Ag Cl5 Cu6 N8 O37.42 -","- C40.584 H64 Ag Cl5 Cu6 N8 O37.416 -","- C81.168 H128 Ag2 Cl10 Cu12 N16 O74.832 -","2","0.25","","Lamberts, Kevin; Tegoni, Matteo; Jiang, Xiang; Kou, Hui-Zhong; Englert, Ulli","Silver complexation by metallacryptates.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","284","295","10.1039/c5dt03749b","","","0.71073","MoKα","","0.0672","0.0544","","","0.1408","0.1496","","","","","","1.04","","","","has coordinates,has disorder","176102","2020-10-21","18:00:00",""
"7037215","13.4554","0.0016","13.4554","0.0016","17.931","0.002","90","","90","","90","","3246.4","0.7","100","2","100","2","","","","","","","","8","I 4","I 4","79","","","","- C40 H66 Ag0.56 Cl5 Cu6 N8 Na0.44 O37 -","- C40 H64 Ag0.564 Cl5 Cu6 N8 Na0.436 O37 -","- C80 H128 Ag1.128 Cl10 Cu12 N16 Na0.872 O74 -","2","0.25","","Lamberts, Kevin; Tegoni, Matteo; Jiang, Xiang; Kou, Hui-Zhong; Englert, Ulli","Silver complexation by metallacryptates.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","284","295","10.1039/c5dt03749b","","","0.71073","MoKα","","0.0538","0.0424","","","0.1087","0.1153","","","","","","1.04","","","","has coordinates,has disorder","176102","2020-10-21","18:00:00",""
"7040060","21.4948","0.0003","21.4948","0.0003","19.2489","0.0005","90","","90","","90","","8893.5","0.3","293","2","293","2","","","","","","","","8","I 4","I 4","79","","","","- C43 H53 Cl F6 N3 O2 P2 Pt -","- C43 H53 Cl F6 N3 O2 P2 Pt -","- C344 H424 Cl8 F48 N24 O16 P16 Pt8 -","8","1","","Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.","Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13347","13360","10.1039/c6dt02476a","","","0.71073","MoKα","","0.048","0.0303","","","0.0561","0.0634","","","","","","1.047","","","","has coordinates","186417","2020-10-21","18:00:00",""
"7041095","15.6899","0.0002","15.6899","0.0002","23.2435","0.0006","90","","90","","90","","5721.92","0.18","293","2","293","2","","","","","","","","5","I 4","I 4","79","","","","- C124 H96 Cu4 N8 O8 -","- C124 H96 Cu4 N8 O8 -","- C248 H192 Cu8 N16 O16 -","2","0.25","","Saini, Anoop Kumar; Kumari, Pratibha; Sharma, Vinay; Mathur, Pradeep; Mobin, Shaikh M.","Varying structural motifs in the salen based metal complexes of Co(ii), Ni(ii) and Cu(ii): synthesis, crystal structures, molecular dynamics and biological activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19096","19108","10.1039/c6dt03573f","","","0.71073","MoKα","","0.0616","0.0435","","","0.1255","0.1355","","","","","","0.999","","","","has coordinates","190212","2020-10-21","18:00:00",""
"7045051","17.556","0.003","17.556","0.003","56.93","0.011","90","","90","","90","","17547","5","100","2","100","2","","","","","","","","5","I 4","I 4","79","","","","- C77 H56 N12 Ni O8 -","- C77 H56 N12 Ni O8 -","- C308 H224 N48 Ni4 O32 -","4","0.5","","Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.","Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","783","790","10.1039/c7dt04162d","","","0.71073","MoKα","","0.0732","0.0393","","","0.0949","0.1106","","","","","","0.973","","","","has coordinates","230077","2020-10-21","18:00:00",""
"7056785","22.5029","0.0005","22.5029","0.0005","6.4423","0.0002","90","","90","","90","","3262.26","0.14","100","2","100","2","","","","","","","","5","I 4","I 4","79","","","","- C15 H19 N O5 S -","- C15 H19 N O5 S -","- C120 H152 N8 O40 S8 -","8","1","","Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.","X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids","New Journal of Chemistry","2018","42","2","1078","","10.1039/C7NJ02961F","","","0.71073","MoKα","","0.0681","0.0596","","","0.1567","0.1608","","","","","","1.111","","","","has coordinates","230305","2020-10-21","18:00:00",""
"7060957","12.89","0.002","12.89","0.002","13.861","0.002","90","","90","","90","","2303","0.6","120","2","120","2","","","","","","","","5","I 4","I 4","79","","","","- C18 H18 Bi Br5 N2 -","- C18 H18 Bi Br5 N2 -","- C72 H72 Bi4 Br20 N8 -","4","0.5","","Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.","Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]","New Journal of Chemistry","2021","45","39","18349","18357","10.1039/D1NJ02390J","","","0.71073","MoKα","","0.0313","0.0276","","","0.0641","0.0657","","","","","","1.053","","","","has coordinates","270486","2021-11-06","20:32:11",""
"7060960","13.1552","0.0019","13.1552","0.0019","14.799","0.003","90","","90","","90","","2561.1","0.7","100","2","100","2","","","","","","","","5","I 4","I 4","79","","","","- C18 H18 Bi I5 N2 -","- C18 H18 Bi I5 N2 -","- C72 H72 Bi4 I20 N8 -","4","0.5","","Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.","Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]","New Journal of Chemistry","2021","45","39","18349","18357","10.1039/D1NJ02390J","","","0.79312","synchrotron","","0.0369","0.0334","","","0.084","0.0856","","","","","","1.266","","","","has coordinates,has disorder","270486","2021-11-06","20:32:11",""
"7062790","16.2371","0.0006","16.2371","0.0006","20.3655","0.0011","90","","90","","90","","5369.2","0.4","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C30 H48 Cr2 Ho2 O37 -","- C30 H48 Cr2 Ho2 O37 -","- C120 H192 Cr8 Ho8 O148 -","4","0.5","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Voronina, Julia K.; Korotkova, Natalia A.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Belova, Ekaterina V.; Gogoleva, Natalia V.; Kottsov, Sergey Yu.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structural features, magnetic properties and thermal decomposition of a new series of polymeric Ln(iii)–Cr(iii) cyclopropane-1,1-dicarboxylates","New Journal of Chemistry","2023","47","41","19251","19264","10.1039/D3NJ03027J","","","0.71073","MoKα","","0.0622","0.0594","","","0.1592","0.1629","","","","","","1.095","","","","has coordinates,has disorder","287367","2023-11-06","07:57:39",""
"7102062","23.6648","0.0009","23.6648","0.0009","16.5051","0.0013","90","","90","","90","","9243.2","0.9","120","2","120","2","","","","","","","synthesis as described","5","I 4","I 4","79","","","","- C60 H96 Cl8 N8 O16 -","- C60 H96 Cl8 N8 O16 -","- C240 H384 Cl32 N32 O64 -","4","0.5","","Brea, Roberto J; Castedo, Luis; Granja, Juan R","Large-diameter self-assembled dimers of alpha,gamma-cyclic peptides, with the nanotubular solid-state structure of cyclo-[(l-Leu-D-(Me)N-gamma-Acp)(4)-].4CHCl(2)COOH.","Chemical communications (Cambridge, England)","2007","","31","3267","3269","10.1039/b703659k","","x-ray","0.71073","MoKα","","0.0901","0.0736","","","0.2042","0.2194","","","","","","1.072","","","","has coordinates","180122","2020-10-21","18:00:00",""
"7109258","22.0927","0.0004","22.0927","0.0004","15.2503","0.0005","90","","90","","90","","7443.5","0.3","173","2","173","2","","","","","","","","8","I 4","I 4","79","","","","- C54 H66 Cl6 F6 N4 O4 Si Zn -","- C54 H30 Cl6 F6 N4 O4 Si Zn -","- C216 H120 Cl24 F24 N16 O16 Si4 Zn4 -","4","0.5","","Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini","Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6","Chem.Commun.","2013","49","","4468","","10.1039/c3cc41140k","","","0.71073","MoKα","","0.1059","0.0685","","","0.1842","0.1964","","","","","","1.03","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7110147","19.8766","0.0005","19.8766","0.0005","16.0127","0.0012","90","","90","","90","","6326.3","0.5","150","2","150","2","","","","","","","","7","I 4","I 4","79","","","","- C82 H152 Cr7 F8 N O32 Zn -","- C82 H152 Cr7.04 F8 N O32 Zn1.04 -","- C164 H304 Cr14.08 F16 N2 O64 Zn2.08 -","2","0.25","","Fabrizio Moro; Danielle Kaminski; Floriana Tuna; George F. S. Whitehead; Grigore A. Timco; David Collison; Richard E. P. Winpenny; Arzhang Ardavan; Eric J. L. McInnes","Coherent electron spin manipulation in a dilute oriented ensemble of molecular nanomagnets: pulsed EPR on doped single crystals","Chem.Commun.","2013","50","","91","","10.1039/c3cc46326e","","","1.54178","CuKα","","0.1539","0.1434","","","0.3702","0.3776","","","","","","1.051","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110148","19.8454","0.0005","19.8454","0.0005","15.8931","0.0006","90","","90","","90","","6259.3","0.3","100","2","100","2","","","","","","","","7","I 4","I 4","79","","","","- C82 H152 F8 Ga7 N O32 Zn -","- C82 H152 F8 Ga7.04 N O32 Zn1.04 -","- C164 H304 F16 Ga14.08 N2 O64 Zn2.08 -","2","0.25","","Fabrizio Moro; Danielle Kaminski; Floriana Tuna; George F. S. Whitehead; Grigore A. Timco; David Collison; Richard E. P. Winpenny; Arzhang Ardavan; Eric J. L. McInnes","Coherent electron spin manipulation in a dilute oriented ensemble of molecular nanomagnets: pulsed EPR on doped single crystals","Chem.Commun.","2013","50","","91","","10.1039/c3cc46326e","","","1.54178","CuKα","","0.1032","0.0995","","","0.2611","0.2638","","","","","","1.155","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110877","7.68","0.002","7.68","0.002","6.49","0.002","90","","90","","90","","382.8","0.18","130","","130","","","","","","","","","3","I 4","I 4","79","Pentamethylmolybdenum(V)","Pentamethylmolybdenum(V)","","- C5 H15 Mo -","- C5 H15 Mo -","- C10 H30 Mo2 -","2","0.25","","Roessler, Beatrice; Kleinhenz, Sven; Seppelt, Konrad","Pentamethylmolybdenum","Chemical Communications","2000","","12","1039","","10.1039/b000987n","","","0.71069","MoKα","","0.0253","0.0253","","","0.0446","0.0446","","","","","","1.111","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110878","7.85","0.001","7.85","0.001","6.42","0.001","90","","90","","90","","395.62","0.09","120","","120","","","","","","","","","3","I 4","I 4","79","Pentamethyltantal","Pentamethyltantal","","- C5 H15 Ta -","- C5 H15 Ta -","- C10 H30 Ta2 -","2","0.25","","Roessler, Beatrice; Kleinhenz, Sven; Seppelt, Konrad","Pentamethylmolybdenum","Chemical Communications","2000","","12","1039","","10.1039/b000987n","","","0.71069","MoKα","","0.0229","0.0229","","","0.0564","0.0564","","","","","","1.058","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7111578","12.8256","0.0009","12.8256","0.0009","10.7457","0.0011","90","","90","","90","","1767.6","0.3","180","2","180","2","","","","","","","","4","I 4","I 4","79","","","","- C18 H19 I2 N2 -","- C15 H12 I2 N2 -","- C60 H48 I8 N8 -","4","0.5","","Arribas, Carlos Solano; Wendt, Ola F.; Sundin, Anders P.; Carling, Carl-Johan; Wang, Ruiyao; Lemieux, Robert P.; Wärnmark, Kenneth","Formation of an heterochiral supramolecular cage by diastereomer self-discrimination: fluorescence enhancement and C60 sensing","Chemical Communications","2010","46","24","4381","4383","10.1039/b927030b","","","0.71073","MoKα","","0.0278","0.0266","","","0.0657","0.0661","","","","","","1.018","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7118623","17.5055","0.0004","17.5055","0.0004","13.3734","0.0006","90","","90","","90","","4098.2","0.2","100","","100","","","","","","","","","7","I 4","I 4","79","","","","- C48 H80 F12 N8 O12 P4 S8 -","- C48 H80 F12 N8 O12 P4 S8 -","- C96 H160 F24 N16 O24 P8 S16 -","2","0.25","","Henne, Florian D.; Watt, Fabian A.; Schwedtmann, Kai; Hennersdorf, Felix; Kokoschka, Malte; Weigand, Jan J.","Tetra-cationic imidazoliumyl-substituted phosphorus-sulfur heterocycles from a cationic organophosphorus sulfide.","Chemical communications (Cambridge, England)","2016","52","10","2023","2026","10.1039/c5cc08182c","","","0.71073","MoKα","","0.0784","0.0623","","","0.1627","0.1761","","","","","","1.046","","","","has coordinates,has disorder","175121","2020-10-21","18:00:00",""
"7119923","12.0393","0.0007","12.0393","0.0007","8.5145","0.0005","90","","90","","90","","1234.13","0.12","100","2","100","2","","","","","","","","7","I 4","I 4","79","JA-ii-81","","","- C21 H40 Cl N O Os P2 -","- C21 H40 Cl N O Os P2 -","- C42 H80 Cl2 N2 O2 Os2 P4 -","2","0.25","","Abbenseth, Josh; Diefenbach, Martin; Bete, Sarah C.; Würtele, Christian; Volkmann, Christian; Demeshko, Serhiy; Holthausen, Max C.; Schneider, Sven","A Square-Planar Osmium(II) Complex","Chem. Commun.","2017","","","","","10.1039/C7CC01569K","","","0.71073","MoKα","","0.052","0.0355","","","0.0641","0.0685","","","","","","1.066","","","","has coordinates,has disorder","195268","2020-10-21","18:00:00",""
"7126056","9.6472","0.0015","9.6472","0.0015","21.411","0.003","90","","90","","90","","1992.7","0.5","120","2","120","2","","","","","","","","6","I 4","I 4","79","","","","- C41 H54 Ag F6 N4 P -","- C41 H54 Ag F6 N4 P -","- C82 H108 Ag2 F12 N8 P2 -","2","0.25","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0292","0.0279","","","0.0595","0.0599","","","","","","1.048","","","","has coordinates,has disorder","250197","2020-10-21","18:00:00",""
"7126058","9.614","0.004","9.614","0.004","21.337","0.008","90","","90","","90","","1972.2","1.4","120","2","120","2","","","","","","","","6","I 4","I 4","79","","","","- C41 H54 Ag F6 N4 P -","- C41 H54 Ag F6 N4 P -","- C82 H108 Ag2 F12 N8 P2 -","2","0.25","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0451","0.044","","","0.1141","0.1151","","","","","","1.02","","","","has coordinates,has disorder","250197","2020-10-21","18:00:00",""
"7131708","19.4725","0.0006","19.4725","0.0006","9.2892","0.0004","90","","90","","90","","3522.3","0.2","193","2","193","","","","","","","","","4","I 4","I 4","79","","","","- C22 H23 N O -","- C22 H23 N O -","- C176 H184 N8 O8 -","8","1","","Li, Jiajun; Zhai, Xinyi; Ji, Cheng-Long; Li, Weipeng; Xie, Jin","Dinuclear-gold-catalyzed cyclization of 1,7-enynes with alkyl bromides.","Chemical communications (Cambridge, England)","2023","59","51","7943","7946","10.1039/d3cc02317f","","","1.34139","GaKα","","0.0369","0.0327","","","0.0742","0.0764","","","","","","1.065","","","","has coordinates","284834","2023-07-05","08:45:59",""
"7151102","23.3843","0.0006","23.3843","0.0006","8.2561","0.0002","90","","90","","90","","4514.6","0.2","173","2","173","2","","","","","","","","4","I 4","I 4","79","","","","- C94.69 H126.1 N8.65 O13.38 -","- C94.69 H126.106 N8.655 O13.38 -","- C189.38 H252.211 N17.31 O26.76 -","2","0.25","","Szumna, Agnieszka","Cyclochiral conformers of resorcin[4]arenes stabilized by hydrogen bonds.","Organic & biomolecular chemistry","2007","5","9","1358","1368","10.1039/b701451a","","","0.71073","MoKα","","0.125","0.0468","","","0.1182","0.1313","","","","","","0.776","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154030","26.6311","0.0009","26.6311","0.0009","15.8084","0.001","90","","90","","90","","11211.6","0.9","130","0.1","130","0.1","","","","","","","","4","I 4","I 4","79","","","","- C26 H27.5 N6.5 O7 -","- C23 H23 N5 O7 -","- C368 H368 N80 O112 -","16","2","","Gamon, L. F.; White, J. M.; Wille, U.","Oxidative damage of aromatic dipeptides by the environmental oxidants NO2˙ and O3.","Organic & biomolecular chemistry","2014","12","41","8280","8287","10.1039/c4ob01577k","","","1.5418","CuKα","","0.1418","0.0855","","","0.1897","0.2326","","","","","","0.895","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7156499","14.8911","0.0018","14.8911","0.0018","14.4517","0.0016","90","","90","","90","","3204.6","0.7","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C81 H45 Br4 N5 Zn -","- C81 H45 Br4 N5 Zn -","- C162 H90 Br8 N10 Zn2 -","2","0.25","","Pijeat, Joffrey; Dappe, Yannick J.; Thuéry, Pierre; Campidelli, Stéphane","Synthesis and Suzuki-Miyaura cross coupling reactions for post-synthetic modification of a tetrabromo-anthracenyl porphyrin.","Organic & biomolecular chemistry","2018","16","43","8106","8114","10.1039/c8ob02150c","","","0.71073","MoKα","","0.0851","0.0643","","","0.1541","0.1619","","","","","","1.085","","","","has coordinates","230663","2020-10-21","18:00:00",""
"7158676","22.947","0.003","22.947","0.003","5.612","0.0011","90","","90","","90","","2955.1","0.8","100","2","100","","","","","","","","","4","I 4","I 4","79","","","","- C56 H88 N8 O16 -","- C56 H80 N8 O16 -","- C112 H160 N16 O32 -","2","0.25","","Bellotto, Ottavia; Pierri, Giovanni; Rozhin, Petr; Polentarutti, Maurizio; Kralj, Slavko; D'Andrea, Paola; Tedesco, Consiglia; Marchesan, Silvia","Dipeptide self-assembly into water-channels and gel biomaterial","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00622G","","","0.7","Synchrotron","","0.102","0.0661","","","0.1683","0.1921","","","","","","1.043","","","","has coordinates,has disorder","275170","2022-05-07","00:29:03",""
"7200664","16.389","0.0003","16.389","0.0003","11.3011","0.0003","90","","90","","90","","3035.47","0.11","298","2","298","2","","","","","","","","3","I 4","I 4","79","","","","- C68 H64 O17 -","- C68 H56 O17 -","- C136 H112 O34 -","2","0.25","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1193","0.0525","","","0.1363","0.1693","","","","","","0.983","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7208296","17.232","0.002","17.232","0.002","16.444","0.003","90","","90","","90","","4882.9","1.2","173","2","173","2","","","","","","","","5","I 4","I 4","79","","","","- C72 H84 Cd3 I6 N36 -","- C72 H80 Cd3 I6 N36 -","- C144 H160 Cd6 I12 N72 -","2","0.25","","Li, Huijun; Wang, Xia; Jia, Yanyuan; Zhao, Bei; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Crystal to crystal transformation induced a novel Cu(ii)-MOF with zigzag ⋯I3−⋯I3−⋯ chains","CrystEngComm","2012","14","16","5155","","10.1039/c2ce25393c","","","0.71073","MoKα","","0.0894","0.084","","","0.22","0.2267","","","","","","1.05","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7209059","14.1357","0.0007","14.1357","0.0007","17.7983","0.0017","90","","90","","90","","3556.4","0.4","100","2","100","2","","","","","","","","8","I 4","I 4","79","","","","- C112 H132 Br4 Cu4 F12 N32 O26 Si2 -","- C112 H112 Br4 Cu4 F12 N32 O26 Si2 -","- C112 H112 Br4 Cu4 F12 N32 O26 Si2 -","1","0.125","","Banerjee, Subhabrata; Adrash, N. N.; Dastidar, Parthasarathi","Anions as additive and template in tuning metallasupramolecular architecture in CuII coordination compounds derived from l-amino acid based chiral ligands","CrystEngComm","2013","15","2","245","","10.1039/c2ce26475g","","","0.71073","MoKα","","0.078","0.0664","","","0.1935","0.2046","","","","","","0.97","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7218732","13.741","0.0006","13.741","0.0006","13.4117","0.0012","90","","90","","90","","2532.3","0.3","100","2","100","2","","","","","","","","6","I 4","I 4","79","","","","- C24 H36 Cs2 O32 Sr U4 -","- C24 H36 Cs2 O32 Sr U4 -","- C48 H72 Cs4 O64 Sr2 U8 -","2","0.25","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0423","0.0346","","","0.0616","0.0632","","","","","","1.002","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7224700","21.981","0.0003","21.981","0.0003","10.9904","0.0003","90","","90","","90","","5310.17","0.18","294","2","294","2","","","","","","","synthetic","5","I 4","I 4","79","N-(3'-acetyl-17-oxospiro[19-norandrost-4-ene-3,2'-[1,3,4]-thiadiazoline]-5'-yl)acetamide","N-(3'-acetyl-17-oxospiro[19-norandrost-4-ene-3,2'-[1,3,4]-thiadiazoline]-5'-yl)acetamide","","- C23 H31 N3 O3 S -","- C23 H31 N3 O3 S -","- C184 H248 N24 O24 S8 -","8","1","","Živković, Marijana B; Matić, Ivana Z; Rodić, Marko V; Novaković, Irena T; Sladić, Dušan; Krstic, Natalija","Synthesis, characterization and in vitro cytotoxic activities of new steroidal thiosemicarbazones and thiadiazolines","RSC Adv.","2016","","","","","10.1039/C6RA01516F","","x-ray","0.71073","MoKα","","0.0716","0.0548","","","0.1386","0.1486","","","","","","1.066","","","","has coordinates","179301","2020-10-21","18:00:00",""
"7228033","32.49","0.005","32.49","0.005","25.78","0.005","90","","90","","90","","27213","8","293","2","296","2","","","","","","","","5","I 4","I 4","79","","DUT-129","","- C52 H60 N4 O8 Zn -","- C52 H60 N4 O8 Zn -","- C624 H720 N48 O96 Zn12 -","12","1.5","","Kutzscher, Christel; Müller, Daniel; Notzon, Andreas; Stoeck, Ulrich; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank","Synthesis of the homochiral metal-organic framework DUT-129 based on a chiral dicarboxylate linker with 6 stereocenters.","CrystEngComm","2017","","","","","10.1039/C7CE00410A","","x-ray","0.88561","synchrotron","","0.1579","0.0669","","","0.1498","0.1952","","","","","","0.906","","","","has coordinates","195273","2020-10-21","18:00:00",""
"7231731","17.1688","0.001","17.1688","0.001","16.0605","0.0011","90","","90","","90","","4734.1","0.5","295","2","295","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H76 Ba2 O32 S8 -","- C96 H76 Ba2 O32 S8 -","- C192 H152 Ba4 O64 S16 -","2","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0861","0.0845","","","0.2259","0.2279","","","","","","1.062","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231734","16.9794","0.0008","16.9794","0.0008","15.815","0.0011","90","","90","","90","","4559.5","0.4","295","2","295","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H76 O32 S8 Sr2 -","- C96 H76 O32 S8 Sr2 -","- C192 H152 O64 S16 Sr4 -","2","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0959","0.0623","","","0.1501","0.1708","","","","","","1.004","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7235716","20.3483","0.0008","20.3483","0.0008","11.0831","0.0005","90","","90","","90","","4589","0.3","296","2","296","2","","","","","","","","6","I 4","I 4","79","{Cu2(HTyr-N-Dan)4(H2O)2].2(H2O)","","","- C84 H92 Cu2 N8 O24 S4 -","- C84 H84 Cu2 N8 O24 S4 -","- C168 H168 Cu4 N16 O48 S8 -","2","0.25","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","A homochiral luminescent compound with four-fold symmetry as a potential chemosensor for nitroanilines","RSC Adv.","2014","4","88","47249","","10.1039/C4RA08386E","","","0.71073","Mokα","","0.077","0.054","","","0.1467","0.1693","","","","","","1.017","","","","has coordinates","233248","2020-10-21","18:00:00",""
"7236905","21.0961","0.0009","21.0961","0.0009","24.0305","0.0013","90","","90","","90","","10694.7","0.9","100","2","100","2","","","","","","","","7","I 4","I 4","79","","","","- C120 H196 N60 O74 P8 S8 Zn6 -","- C120 H120 N60 O74 P8 S8 Zn6 -","- C240 H240 N120 O148 P16 S16 Zn12 -","2","0.25","","Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy","Anion-induced ferroelectric polarization in a luminescent metal‒organic cage compound","J. Mater. Chem. C","2017","5","40","10624","","10.1039/C7TC03375C","","","0.71073","MoKα","","0.0917","0.0773","","","0.216","0.2369","","","","","","1.051","","","","has coordinates,has disorder","236621","2020-10-21","18:00:00",""
"7249503","12.7443","0.0004","12.7443","0.0004","7.1295","0.0004","90","","90","","90","","1157.95","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","I 4","I 4","79","","","","- Cl Cs O24 Se8 V4 -","- Cl Cs O24 Se8 V4 -","- Cl2 Cs2 O48 Se16 V8 -","2","0.25","","Xiang, Wenya; Wang, Guozhao; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","A New Salt-Inclusion Compound CsCl·(VOSe2O5)4 Showing Nearly Isolated Spin-1/2 Chain Structure with a Typical Square Lattice","CrystEngComm","2024","","","","","10.1039/D4CE00936C","","x-ray","0.71073","MoKα","","0.0481","0.0383","","","0.0796","0.0832","","","","","","0.952","","","","has coordinates","295666","2024-10-29","23:28:45",""
"7702775","27.5016","0.0004","27.5016","0.0004","6.7206","0.0001","90","","90","","90","","5083.05","0.13","293","2","293","2","","","","","","","","5","I 4","I 4","79","","","","- C24 H34 Cu N2 O7 -","- C24 H31 Cu N2 O7 -","- C192 H248 Cu8 N16 O56 -","8","1","","López-Sandoval, Horacio; Contreras, Rosalinda; Escuer, Albert; Vicente, Ramon; Bernès, Sylvain; Nöth, Heinrich; Jeffery Leigh, G.; Barba-Behrens, Noráh","Synthesis, crystal structure and magnetic properties of the triangulo-tricopper(ii) complex [Cu3(cpse)3(H2O)3]·8.5H2O","Journal of the Chemical Society, Dalton Transactions","2002","","13","2648","","10.1039/b110915b","","x-ray","0.71073","MoKα","","0.0988","0.0577","","","0.1344","0.1668","","","","","","1.137","","","","has coordinates","244011","2020-10-21","18:00:00",""
"7707042","18.4065","0.0004","18.4065","0.0004","5.29289","0.00015","90","","90","","90","","1793.23","0.07","294.4","0.6","294.4","0.6","","","","","","","","6","I 4","I 4","79","","","","- C3 H8 N O5 P Zn -","- C3 H8 N O5 P Zn -","- C24 H64 N8 O40 P8 Zn8 -","8","1","","Mao, Yumei; Dong, Xuehua; Deng, Yuandan; Li, Jing; Huang, Ling; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Amino acid-templated zinc phosphites: low-dimensional structures, fluorescence, and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5442","5445","10.1039/d1dt00939g","","x-ray","1.54184","CuKα","","0.0659","0.0634","","","0.1734","0.179","","","","","","1.123","","","","has coordinates","266023","2021-06-05","18:36:20",""
"7707043","18.4078","0.0002","18.4078","0.0002","5.29562","0.0001","90","","90","","90","","1794.41","0.04","296.4","0.2","296.4","0.2","","","","","","","","6","I 4","I 4","79","","","","- C3 H8 N O5 P Zn -","- C3 H8 N O5 P Zn -","- C24 H64 N8 O40 P8 Zn8 -","8","1","","Mao, Yumei; Dong, Xuehua; Deng, Yuandan; Li, Jing; Huang, Ling; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Amino acid-templated zinc phosphites: low-dimensional structures, fluorescence, and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5442","5445","10.1039/d1dt00939g","","x-ray","1.54184","CuKα","","0.0612","0.0593","","","0.167","0.1714","","","","","","1.1","","","","has coordinates","266023","2021-06-05","18:36:20",""
"7709074","12.4116","0.0002","12.4116","0.0002","18.262","0.0006","90","","90","","90","","2813.22","0.11","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C62 H65 N8 O8 Ru2 -","- C62 H65 N8 O8 Ru2 -","- C124 H130 N16 O16 Ru4 -","2","0.25","","Miller-Clark, Lyndsy A.; Christ, Peter E.; Ren, Tong","Diruthenium aryl compounds – tuning of electrochemical responses and solubility","Dalton Transactions","2022","","","","","10.1039/D1DT03957A","","","0.71073","MoKα","","0.0272","0.0235","","","0.0517","0.0551","","","","","","1.245","","","","has coordinates,has disorder","271418","2021-12-14","23:53:52",""
"8107359","16.9196","0.0012","16.9196","0.0012","9.4187","0.0008","90","","90","","90","","2696.3","0.4","173","2","173","2","","","","","","","","4","I 4","I 4","79","","","","- C27 H26 P2 S2 -","- C27 H26 P2 S2 -","- C108 H104 P8 S8 -","4","0.5","","Tapala, Kgaugelo C.; Clayton, Hadley S.","Crystal structure of propane-1,3-diylbis(diphenylphosphine sulfide) ethanol solvate, C27H26P2S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","83","85","10.1515/ncrs-2022-0496","","x-ray","0.71073","MoKα","","0.0463","0.0341","","","0.0687","0.0726","","","","","","1.024","","","","has coordinates","284464","2023-06-15","07:18:08",""
"9001701","9.414","","9.414","","2.75","","90","","90","","90","","243.714","","","","","","","","","","","","","4","I 4","I 4","79","","","Pb(Al,Si)4O8","- Al1.6 O8 Pb2.198 Si2.4 -","- Al1.6 O8 Pb2.198 Si2.4 -","- Al3.2 O16 Pb4.396 Si4.8 -","2","0.25","","Downs, R. T.; Hazen, R. M.; Finger, L. W.","Crystal chemistry of lead aluminosilicate hollandite: A new high-pressure synthetic phase with octahedral Si","American Mineralogist","1995","80","","937","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9011796","13.6","","13.6","","4.98","","90","","90","","90","","921.101","","","","","","","","","","","","Mount Vesuvius, Naples, Italy","5","I 4","I 4","79","","","Piypite","- Cl Cu4.5 K4 O18 S4 -","- Cl Cu4.5 K4 O18 S4 -","- Cl2 Cu9 K8 O36 S8 -","2","0.25","","Effenberger, H.; Zemann, J.","The crystal structure of caratiite","Mineralogical Magazine","1984","48","","541","546","10.1180/minmag.1984.048.349.10","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""