# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:44:00+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'F d d d' 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
"1529315","10.8136","0.0003","27.533","0.0007","29.5266","0.0008","90","","90","","90","","8791","0.4","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C44 H52 Co2 K2 N6 O4 -","- C44 H52 Co2 K2 N6 O4 -","- C352 H416 Co16 K16 N48 O32 -","8","","","Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.","Cobalt catalyzed sp3C‒H amination utilizing aryl azides","Chem. Sci.","2015","6","11","6672","","10.1039/C5SC01162K","","","1.54178","CuKα","","0.0315","0.0288","","","0.0791","0.0811","","","","","","1.028","","","","has coordinates","170996","2020-10-21","18:00:00",""
"1529427","23.5964","0.0004","37.347","0.0006","40.0789","0.0006","90","","90","","90","","35319.7","1","110","0.1","110","0.1","","","","","","","","5","F d d d","-F 2uv 2vw","70","","5-[4-[(2-methoxy-4-nitro-phenylcarbonyl)-amino]phenyl]-10,15,20-triphenyl porphyrin","","- C52.59 H37.19 Cl1.19 N6 O4 -","- C52.595 H37.18 Cl1.19 N6 O4 -","- C1683.04 H1189.76 Cl38.08 N192 O128 -","32","","","Windle, Christopher D.; George, Michael W.; Perutz, Robin N.; Summers, Peter A.; Sun, Xue Zhong; Whitwood, Adrian C.","Comparison of rhenium‒porphyrin dyads for CO2photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy","Chem. Sci.","2015","6","12","6847","","10.1039/C5SC02099A","","","0.7107","MoKα","","0.0712","0.0578","","","0.1587","0.1693","","","","","","1.035","","","","has coordinates","170979","2020-10-21","18:00:00",""
"1543537","10.857","0.003","26.523","0.008","33.064","0.01","90","","90","","90","","9521","5","298","","298","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[μ~4~-2,2'-(1,3-phenylene)bis(imidazol-1-yl)-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''']dicopper(I)]","","- C30 H20 Cu2 N6 -","- C30 H20 Cu2 N6 -","- C480 H320 Cu32 N96 -","16","","WM5300","Zhou, Rui; Meng, Fa-Yan; Li, Xue-Hua","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[μ~4~-2,2'-(1,3-phenylene)bis(imidazol-1-yl)-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''']dicopper(I)]","IUCrData","2016","1","6","x161007","","10.1107/S2414314616010075","","","0.71073","MoKα","","0.049","0.0349","","","0.0775","0.0838","","","","","","1.088","","","","has coordinates,has Fobs","183954","2020-10-21","18:00:00",""
"1545610","47.992","0.003","50.873","0.003","64.857","0.004","90","","90","","90","","158348","17","100","2","100.15","","","","","","","","","8","F d d d","-F 2uv 2vw","70","","","","- C288 H340 Ag47 Cr4 F54 N4 O56 S24 -","- C288 H340 Ag47 Cr4 F54 N4 O56 S24 -","- C4608 H5440 Ag752 Cr64 F864 N64 O896 S384 -","16","","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71073","MoKα","","0.2393","0.127","","","0.2998","0.4121","","","","","","1.084","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1547536","24.72","0.0011","30.9053","0.0014","52.473","0.002","90","","90","","90","","40088","3","220","","220.02","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","3","","- C192 H252 Au6 Cu6 -","- C192 H252 Au6 Cu6 -","- C1536 H2016 Au48 Cu48 -","8","","","Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming","Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system","Chem. Sci.","2017","","","","","10.1039/C7SC03529B","","","0.71073","MoKα","","0.1086","0.0663","","","0.1793","0.2274","","","","","","1.054","","","","has coordinates,has disorder","201668","2020-10-21","18:00:00",""
"1548632","13.706","0.002","34.19","0.008","45.37","0.011","90","","90","","90","","21261","8","293","2","293","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C27 H14 In N O8 -","- C27 H14 In N O8 -","- C432 H224 In16 N16 O128 -","16","","","Hou, Sheng-Li; Dong, Jie; Jiang, Xiao-Lei; Jiao, Zhuo-Hao; Wang, Chu-Ming; Zhao, Bin","Interpenetration-Depended Luminescent Probe in Indium-Organic Frameworks for Selectively Detecting Nitrofurazone in Water.","Analytical chemistry","2018","","","","","10.1021/acs.analchem.7b05088","","","0.71073","MoKα","","0.1486","0.05","","","0.0929","0.1088","","","","","","0.62","","","","has coordinates","204933","2020-10-21","18:00:00",""
"1549837","20.134","0.008","24.672","0.009","43.274","0.018","90","","90","","90","","21496","15","100","0.5","100","0.5","","","","","","","","4","F d d d","-F 2uv 2vw","70","neisc36","","","- C60 H78 Fe4 O6 -","- C60 H78 Fe4 O6 -","- C960 H1248 Fe64 O96 -","16","","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.3772","0.2483","","","0.4569","0.4911","","","","","","1.949","","","","has coordinates","210119","2020-10-21","18:00:00",""
"1550169","7.3899","0.0005","22.447","0.002","28.512","0.002","90","","90","","90","","4729.6","0.6","123","2","123","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","Bis(tetramethylguanidinium) hexachloridotellurate(IV)","","- C10 H28 Cl6 N6 Te -","- C10 H28 Cl6 N6 Te -","- C80 H224 Cl48 N48 Te8 -","8","","XI4001","Giltzau, Niels Ole; Köckerling, Martin","Bis(tetramethylguanidinium) hexachloridotellurate(IV)","IUCrData","2018","3","10","x181488","","10.1107/S2414314618014888","","","0.71073","MoKα","","0.0142","0.0128","","","0.0333","0.0342","","","","","","1.256","","","","has coordinates,has Fobs","211748","2020-10-21","18:00:00",""
"1551161","15.3069","0.0005","26.9467","0.0008","31.284","0.001","90","","90","","90","","12903.7","0.7","100","","100","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C18 H18 In N3 O8 -","- C18 H18 In N3 O8 -","- C288 H288 In16 N48 O128 -","16","","","Carrington, Elliot J.; McAnally, Craig A.; Fletcher, Ashleigh J.; Thompson, Stephen P.; Warren, Mark; Brammer, Lee","Solvent-switchable continuous-breathing behaviour in a diamoniod metal-organic framework and its influence on CO2 vs CH4 selectivity","Nature Chemistry","2017","9","","882","889","10.1038/nchem.2747","","","0.71073","MoKα","","0.061","0.0523","","","0.1834","0.1961","","","","","","1.204","","","","has coordinates,has disorder","215550","2020-10-21","18:00:00",""
"2003764","9.5781","0.0008","16.3763","0.0018","17.4396","0.0014","90","","90","","90","","2735.5","0.4","295","","","","","","","","","","","3","F d d d","-F 2uv 2vw","","","","","- C12 F14 O2 -","- C1.5 F1.5 O0.5 -","- C12 F12 O4 -","8","","CR1096","Baenziger, N. C.; Burton, D. J.; Tortelli, V.","2,3,5,6-Tetrakis(trifluoromethyl)terephthaloyl Difluoride","Acta Crystallographica Section C","1995","51","8","1663","1665","10.1107/S0108270195002125","","","1.5418","CuKα","","","0.051","","","0.087","","","","","1.032","1.032","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2020829","14.9776","0.0016","17.3228","0.0012","29.57","0.004","90","","90","","90","","7672.1","1.4","153","2","153","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","Poly[[[μ~4~-<i>N</i>^2^,<i>N</i>^3^-bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide]silver(I)] nitrate]","","- C18 H16 Ag N7 O5 -","- C18 H16 Ag N7 O5 -","- C288 H256 Ag16 N112 O80 -","16","","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer","Acta Crystallographica Section E Crystallographic Communications","2017","73","6","798","","10.1107/S2056989017006387","","","0.71073","MoKα","","0.089","0.0454","","","0.0977","0.1069","","","","","","0.903","","","","has coordinates,has disorder,has Fobs","199112","2020-10-21","18:00:00",""
"2021615","14.358","0.006","17.333","0.007","38.902","0.019","90","","90","","90","","9681","7","296","2","296.15","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Dibutyl 5,5'-(pentane-3,3-diyl)bis(1<i>H</i>-pyrrole-5-carboxylate)","","- C23 H34 N2 O4 -","- C23 H34 N2 O4 -","- C368 H544 N32 O64 -","16","","FF2158","Wang, Haijing; Yin, Zhenming","Crystal structure and Hirshfeld surface analysis of dibutyl 5,5′-(pentane-3,3-diyl)bis(1H-pyrrole-5-carboxylate)","Acta Crystallographica Section E Crystallographic Communications","2019","75","6","711","","10.1107/S205698901900567X","","","0.71073","MoKα","","0.1056","0.0806","","","0.2339","0.2782","","","","","","1.048","","","","has coordinates,has Fobs","214937","2020-10-21","18:00:00",""
"2241797","5.7654","0.0004","10.3155","0.0006","19.4879","0.0012","90","","90","","90","","1159","0.13","298","2","298","2","","","","","","","","2","F d d d","-F 2uv 2vw","70","","Titanium dibismuth","","- Bi2 Ti -","- Bi2 Ti -","- Bi32 Ti16 -","16","","BR2262","Watanabe, Kei; Yamane, Hisanori","Crystal structure of TiBi~2~","Acta Crystallographica Section E","2016","72","9","1254","1256","10.1107/S2056989016012391","","","0.71073","MoKα","","0.0257","0.0242","","","0.0603","0.0622","","","","","","1.313","","","","has coordinates,has Fobs","184857","2020-10-21","18:00:00",""
"4002218","5.1928","0.0002","9.5598","0.0004","18.9575","0.0008","90","","90","","90","","941.09","0.07","90","2","90","2","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- Ni2 P4 Sr -","- Ni2 P4 Sr -","- Ni16 P32 Sr8 -","8","","","Dolyniuk, Juli-Anna; Wang, Jian; Lee, Kathleen; Kovnir, Kirill","Twisted Kelvin Cells and Truncated Octahedral Cages in the Crystal Structures of Unconventional Clathrates, AM2P4(A = Sr, Ba; M = Cu, Ni)","Chemistry of Materials","2015","27","12","4476","","10.1021/acs.chemmater.5b01592","","","0.71073","MoKα","","0.0099","0.0099","","","0.0264","0.0265","","","","","","1.224","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4080645","9.6119","0.001","24.199","0.003","41.756","0.005","90","","90","","90","","9712","2","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag Cl N4 O4 -","- C18 H32 Ag Cl N4 O4 -","- C288 H512 Ag16 Cl16 N64 O64 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0497","0.0434","","","0.1226","0.1286","","","","","","1.085","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080646","9.5993","0.0005","24.1313","0.0014","41.716","0.002","90","","90","","90","","9663.2","0.9","280","2","280","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag Cl N4 O4 -","- C18 H32 Ag Cl N4 O4 -","- C288 H512 Ag16 Cl16 N64 O64 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0542","0.0424","","","0.119","0.1288","","","","","","1.066","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080654","9.7887","0.0005","24.8387","0.0011","41.738","0.002","90","","90","","90","","10148.1","0.8","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C288 H512 Ag16 F96 N64 P16 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0505","0.0354","","","0.0947","0.1054","","","","","","1.023","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080655","9.7624","0.0005","24.813","0.001","41.7229","0.0019","90","","90","","90","","10106.7","0.8","281","2","281","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C288 H512 Ag16 F96 N64 P16 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0484","0.0343","","","0.0917","0.1026","","","","","","1.031","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080656","9.7322","0.0004","24.7866","0.0011","41.73","0.002","90","","90","","90","","10066.5","0.8","260","2","260","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C288 H512 Ag16 F96 N64 P16 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0444","0.034","","","0.0923","0.1002","","","","","","1.044","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080657","9.7049","0.0004","24.754","0.0011","41.727","0.002","90","","90","","90","","10024.3","0.8","240","2","240","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C288 H512 Ag16 F96 N64 P16 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0492","0.037","","","0.1022","0.1216","","","","","","1.118","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080658","9.6828","0.0005","24.7211","0.001","41.694","0.002","90","","90","","90","","9980.3","0.8","220","2","220","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C288 H512 Ag16 F96 N64 P16 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.039","0.0307","","","0.0809","0.0867","","","","","","1.044","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080659","9.6544","0.0004","24.6826","0.001","41.6964","0.0018","90","","90","","90","","9936.1","0.7","200","2","200","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C288 H512 Ag16 F96 N64 P16 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0427","0.0334","","","0.0907","0.107","","","","","","1.15","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4124738","16.7904","0.0004","28.5177","0.0007","74.7861","0.0017","90","","90","","90","","35809.3","1.5","100","0.2","100","0.2","","","","","","","","6","F d d d","-F 2uv 2vw","70","('delta'4)-(P4)-5","","","- C78 H64 Ag2 F12 N8 P2 -","- C0 H0 Ag0 F12 N0 P2 -","- C0 H0 Ag0 F192 N0 P32 -","16","","","Gidron, Ori; Jirásek, Michael; Trapp, Nils; Ebert, Marc-Olivier; Zhang, Xiangyang; Diederich, François","Homochiral [2]Catenane and Bis[2]catenane from Alleno-Acetylenic Helicates - A Highly Selective Narcissistic Self-Sorting Process.","Journal of the American Chemical Society","2015","137","39","12502","12505","10.1021/jacs.5b08649","","x-ray","1.54178","CuKα","","0.1385","0.1032","","","0.3156","0.3451","","","","","","1.378","","","","has coordinates,has disorder","170010","2020-10-21","18:00:00",""
"4126024","18.6629","0.0008","64.266","0.003","85.271","0.004","90","","90","","90","","102273","8","180","2","180","2","","","","","","","","8","F d d d","-F 2uv 2vw","70","","","","- C190.5 H184 F40.5 Fe4 N40 O31.5 P5.5 S10.5 -","- C186.8 H184 F29.4 Fe4 N40 O20.4 P5.5 S6.8 -","- C2988.8 H2944 F470.4 Fe64 N640 O326.4 P88 S108.8 -","16","","","Zhang, Dawei; Ronson, Tanya K.; Mosquera, Jesús; Martinez, Alexandre; Guy, Laure; Nitschke, Jonathan R.","Anion Binding in Water Drives Structural Adaptation in an Azaphosphatrane-Functionalized Fe(II)4L4 Tetrahedron.","Journal of the American Chemical Society","2017","139","19","6574","6577","10.1021/jacs.7b02950","","","1.54178","CuKα","","0.1193","0.1078","","","0.2698","0.278","","","","","","1.085","","","","has coordinates,has disorder","197416","2020-10-21","18:00:00",""
"4126632","12.6104","0.0007","26.6968","0.0013","45.345","0.002","90","","90","","90","","15265.7","1.3","293.15","","293.15","","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- C66 H84 O12 -","- C66 H84 O12 -","- C528 H672 O96 -","8","","","Jie, Kecheng; Zhou, Yujuan; Li, Errui; Li, Zhengtao; Zhao, Run; Huang, Feihe","Reversible Iodine Capture by Non-Porous Pillar[6]arene Crystals.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09850","","","0.71073","MoKα","","0.1033","0.073","","","0.2207","0.2544","","","","","","1.038","","","","has coordinates","202278","2020-10-21","18:00:00",""
"4127062","17.207","0.005","24.701","0.005","55.119","0.005","90","0.005","90","0.005","90","0.005","23427","9","180","2","180","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C24 H35.5 Br2 Cu N7 O1.5 -","- C24 H35.5 Br2 Cu N7 O1.5 -","- C768 H1136 Br64 Cu32 N224 O48 -","32","","","Ribelli, Thomas G.; Fantin, Marco; Daran, Jean-Claude; Augustine, Kyle F.; Poli, Rinaldo; Matyjaszewski, Krzysztof","Synthesis and Characterization of the Most Active Copper ATRP Catalyst Based on Tris[(4-dimethylaminopyridyl)methyl]amine.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12180","","x-ray","0.71073","MoKα","","0.0632","0.0413","","","0.089","0.0947","","","","","","1.067","","","","has coordinates","205457","2020-10-21","18:00:00",""
"4338666","5.4884","0.0001","11.6086","0.0003","25.871","0.0007","90","","90","","90","","1648.31","0.07","100","2","100","2","","","","","","","","4","F d d d","-F 2uv 2vw","70","Hafnium sulfate tetrahydrate","","","- H8 Hf O12 S2 -","- H8 Hf O12 S2 -","- H64 Hf8 O96 S16 -","8","","","Kalaji, Ali; Skanthakumar, S.; Kanatzidis, Mercouri G.; Mitchell, John F.; Soderholm, L.","Changing Hafnium Speciation in Aqueous Sulfate Solutions: A High-Energy X-ray Scattering Study.","Inorganic chemistry","2014","53","12","6321","6328","10.1021/ic500938k","","","0.71073","MoKα","","0.011","0.0108","","","0.0259","0.0259","","","","","","1.328","","","","has coordinates","179489","2020-10-21","18:00:00",""
"4343287","35.7157","0.0006","39.248","0.0005","45.7355","0.0007","90","","90","","90","","64110.6","1.7","150","0.2","150","0.2","","","","","","","","7","F d d d","-F 2uv 2vw","70","","","","- C84 H174 Cu6 Dy6 N8 O48 P6 -","- C84 H174 Cu6 Dy6 N8 O48 P6 -","- C1344 H2784 Cu96 Dy96 N128 O768 P96 -","16","","","Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.","Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.","Inorganic chemistry","2015","","","150610150327001","","10.1021/acs.inorgchem.5b00649","","","0.71073","MoKα","","0.0912","0.0553","","","0.1323","0.1552","","","","","","1.058","","","","has coordinates,has disorder","139086","2020-10-21","18:00:00",""
"4343290","35.8531","0.0005","39.1902","0.0004","45.8138","0.0005","90","","90","","90","","64372.5","1.3","150","","150","","","","","","","","","7","F d d d","-F 2uv 2vw","70","","","","- C84 H174 Cu6 N8 O48 P6 Tb6 -","- C84 H174 Cu6 N8 O48 P6 Tb6 -","- C1344 H2784 Cu96 N128 O768 P96 Tb96 -","16","","","Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.","Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.","Inorganic chemistry","2015","","","150610150327001","","10.1021/acs.inorgchem.5b00649","","x-ray","0.71073","MoKα","","0.0881","0.0551","","","0.1355","0.1585","","","","","","1.051","","","","has coordinates,has disorder","139089","2020-10-21","18:00:00",""
"4343294","35.8449","0.0003","39.1793","0.0004","45.6982","0.0004","90","","90","","90","","64177.6","1","100.15","","100.15","","","","","","","","","7","F d d d","-F 2uv 2vw","70","","","","- C84 H174 Cu6 Gd6 N8 O48 P6 -","- C84 H174 Cu6 Gd6 N8 O48 P6 -","- C1344 H2784 Cu96 Gd96 N128 O768 P96 -","16","","","Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.","Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.","Inorganic chemistry","2015","","","150610150327001","","10.1021/acs.inorgchem.5b00649","","","0.71073","MoKα","","0.067","0.058","","","0.1357","0.1403","","","","","","1.12","","","","has coordinates,has disorder","139093","2020-10-21","18:00:00",""
"4344043","32.8519","0.0012","44.1088","0.0012","46.172","0.0013","90","","90","","90","","66906","4","150","2","150","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C78 H56 N6 Ni O20 U2 -","- C78 H48 N6 Ni O20 U2 -","- C2496 H1536 N192 Ni32 O640 U64 -","32","","","Thuéry, Pierre; Harrowfield, Jack","Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks.","Inorganic chemistry","2015","54","16","8093","8102","10.1021/acs.inorgchem.5b01323","","","0.71073","MoKα","","0.0953","0.053","","","0.143","0.1593","","","","","","1.016","","","","has coordinates,has disorder","160494","2020-10-21","18:00:00",""
"4511937","28.316","0.005","28.318","0.005","34.196","0.006","90","","90","","90","","27420","8","90","2","90","2","","","","","","","","3","F d d d","-F 2uv 2vw","70","C70 . 0.68 I2 . 0.32 CS2","","","- C70.32 I1.36 S0.64 -","- C70.3177 I1.3645 S0.6355 -","- C2250.17 I43.664 S20.336 -","32","","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0364","0.0288","","","0.063","0.0685","","","","","","1.072","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"6000380","9.993","","14.525","","15.028","","90","","90","","90","","2181.29","","","","","","","","","","","","","7","F d d d","","","","","","- C4 H10 Ga N O8 P2 Zn -","","","","","","Chippindale, A. M.; Cowley, A. R.; Peacock, K. J.","Synthesis and characterisation of [TH] [ZnGaP2O8] (T = CN3H5 and C4NH9); two microporous zinc-gallium phosphates with the gismondine structure","Microporous and Mesoporous Materials","1998","24","","133","141","10.1016/S1387-1811(98)00159-0","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000666","8.2797","","8.2444","","8.1981","","90","","90","","90","","559.61","","","","","","","","","","","","","3","F d d d","","","","","","- Li Mn2 O4 -","","","","","","Oikawa, K.; Kamiyama, T.; Izumi, F.; Chakoumakos, B. C.; Ikuta, H.; Wakihara, M.; Li, J. Q.; Matsui, Y.","Structural phase transition of the spinel-type oxide LiMn2O4","Solid State Ionics","1998","109","","35","41","10.1016/S0167-2738(98)00073-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7021394","11.625","0.003","36.414","0.01","63.656","0.018","90","","90","","90","","26946","13","293","2","293","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C120 H140 N12 S4 Y2 -","- C120 H140 N12 S4 Y2 -","- C960 H1120 N96 S32 Y16 -","8","","","Li, Meng; Hong, Jianquan; Chen, Zhenxia; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of dinuclear rare earth metal bis(o-aminobenzyl) complexes bearing a 1,4-phenylenediamidinate co-ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8288","8297","10.1039/c3dt33040k","","","0.71073","MoKα","","0.0913","0.0542","","","0.1259","0.1342","","","","","","1.003","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7029314","13.4347","0.0009","31.954","0.002","33.272","0.002","90","","90","","90","","14283.4","1.6","153","2","153","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C26 H26 Ga N16 S2 -","- C26 H26 Ga N16 S2 -","- C416 H416 Ga16 N256 S32 -","16","","","Zhang, Nan; Tai, Yanxue; Li, Mingxue; Ma, Pengtao; Zhao, Junwei; Niu, Jingyang","Main group bismuth(iii), gallium(iii) and diorganotin(iv) complexes derived from bis(2-acetylpyrazine)thiocarbonohydrazone: synthesis, crystal structures and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5182","5189","10.1039/c4dt00077c","","","0.71073","MoKα","","0.0561","0.0373","","","0.0905","0.0956","","","","","","1.021","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7030790","12.989","0.004","21.329","0.006","22.051","0.006","90","","90","","90","","6109","3","100","2","100","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C20 H32 As4 F10 Nb2 -","- C20 H32 As4 F10 Nb2 -","- C160 H256 As32 F80 Nb16 -","8","","","Levason, William; Light, Mark E.; Reid, Gillian; Zhang, Wenjian","Soft diphosphine and diarsine complexes of niobium(v) and tantalum(v) fluorides: synthesis, properties, structures and comparisons with the corresponding chlorides.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9557","9566","10.1039/c4dt01029a","","","0.71073","MoKα","","0.0564","0.0516","","","0.1595","0.1708","","","","","","1.337","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7031712","16.4372","0.0015","25.568","0.003","30.217","0.003","90","","90","","90","","12699","2","100","2","100","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C52 H88 Cl4 Cu4 Fe2 P4 -","- C52 H88 Cl4 Cu4 Fe2 P4 -","- C416 H704 Cl32 Cu32 Fe16 P32 -","8","","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","Syntheses, characterization, and structural studies of copper(i) complexes containing 1,1'-bis(di-tert-butylphosphino)ferrocene (dtbpf) and their application in palladium-catalyzed Sonogashira coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13620","13629","10.1039/c4dt01411a","","","0.71073","MoKα","","0.0924","0.0483","","","0.1172","0.157","","","","","","1.145","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031785","14.6315","0.0016","24.776","0.003","33.169","0.004","90","","90","","90","","12024","2","296","2","296","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C48 H46 Cl4 Cu4 N14 O28 -","- C48 H40 Cl4 Cu4 N14 O28 -","- C384 H320 Cl32 Cu32 N112 O224 -","8","","","Ma, Yu; Cheng, Ai-Ling; Tang, Bo; Gao, En-Qing","Copper(ii) coordination polymers with azide and bipyridine-based zwitterionic carboxylate ligands: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13957","13964","10.1039/c4dt01722f","","","0.71073","MoKα","","0.0688","0.0573","","","0.1519","0.1578","","","","","","1.181","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7035231","16.938","0.006","24.212","0.009","25.686","0.01","90","","90","","90","","10534","7","100","2","100","2","","","","","","","","8","F d d d","-F 2uv 2vw","70","","","","- C12.5 H33.5 B2 F8 N0.5 O3 P4 Pb -","- C12.5 H32 B2 F8 N0.5 O3 P4 Pb -","- C200 H512 B32 F128 N8 O48 P64 Pb16 -","16","","","Burt, Jennifer; Grantham, William; Levason, William; Reid, Gillian","Lead(ii) nitrate and hexafluorosilicate complexes with neutral diphosphine coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11533","11541","10.1039/c5dt01448d","","","0.71073","MoKα","","0.0613","0.0527","","","0.1033","0.1075","","","","","","1.146","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035612","22.543","0.005","29.134","0.006","29.168","0.006","90","","90","","90","","19157","7","293","2","293","2","","","","","","","","4","F d d d","-F 2uv 2vw","70","","","","- C27 H17 Eu O7 -","- C27 H17 Eu O7 -","- C864 H544 Eu32 O224 -","32","","","Qin, Jian-Hua; Ma, Bing; Liu, Xiao-Fei; Lu, Hong-Lin; Dong, Xi-Yan; Zang, Shuang-Quan; Hou, Hongwei","Ionic liquid directed syntheses of water-stable Eu- and Tb-organic-frameworks for aqueous-phase detection of nitroaromatic explosives.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14594","14603","10.1039/c5dt02054a","","","0.71073","MoKα","","0.0753","0.0724","","","0.1542","0.156","","","","","","1.249","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035613","22.482","0.005","28.996","0.006","29.067","0.006","90","","90","","90","","18948","7","293","2","293","2","","","","","","","","4","F d d d","-F 2uv 2vw","70","","","","- C27 H17 O7 Tb -","- C27 H17 O7 Tb -","- C864 H544 O224 Tb32 -","32","","","Qin, Jian-Hua; Ma, Bing; Liu, Xiao-Fei; Lu, Hong-Lin; Dong, Xi-Yan; Zang, Shuang-Quan; Hou, Hongwei","Ionic liquid directed syntheses of water-stable Eu- and Tb-organic-frameworks for aqueous-phase detection of nitroaromatic explosives.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14594","14603","10.1039/c5dt02054a","","","0.71073","MoKα","","0.0889","0.0816","","","0.2983","0.3096","","","","","","1.109","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7038987","12.354","0.003","19.109","0.003","20.927","0.005","90","","90","","90","","4940.3","1.9","100","2","100","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","Ni(dmpe)2(H)(BF4)","Nickel(II) bis(dimethylphosphinoethane) hydride tetrafluoroborate","","- C20 H32 B F4 Ni P4 -","- C20 H32 B F4 Ni P4 -","- C160 H256 B8 F32 Ni8 P32 -","8","","","Connelly Robinson, Samantha J.; Zall, Christopher M.; Miller, Deanna L.; Linehan, John C.; Appel, Aaron M.","Solvent influence on the thermodynamics for hydride transfer from bis(diphosphine) complexes of nickel.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10017","10023","10.1039/c6dt00309e","","","0.71073","MoKα","","0.0506","0.0317","","","0.0687","0.0743","","","","","","1.039","","","","has coordinates,has disorder","185377","2020-10-21","18:00:00",""
"7039226","26.0928","0.0015","30.8329","0.0015","61.733","0.004","90","","90","","90","","49665","5","173","2","173","2","","","","","","","","7","F d d d","-F 2uv 2vw","70","","","","- C120 H132 Cl12 N24 O18 Pd6 S6 -","- C120 H132 Cl12 N24 O18 Pd6 S6 -","- C960 H1056 Cl96 N192 O144 Pd48 S48 -","8","","","Noh, Tae Hwan; Lee, Haeri; Kim, Doeon; Moon, Dohyun; Lee, Young-A; Jung, Ok-Sang","Photoreaction of adsorbed diiodomethane: halide effects of a series of neutral palladium(ii) coordination cages.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9574","9581","10.1039/c6dt01278g","","","0.71073","MoKα","","0.1441","0.0626","","","0.1969","0.2129","","","","","","0.944","","","","has coordinates,has disorder","185510","2020-10-21","18:00:00",""
"7039712","25.9203","0.001","31.5176","0.0008","46.0262","0.001","90","","90","","90","","37600.9","1.9","100","2","100","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C103 H83 F8 Ir2 N23 O7 -","- C103 H82 F8 Ir2 N23 O7 -","- C1648 H1312 F128 Ir32 N368 O112 -","16","","","Saad, Suad T.; Metherell, Alexander J.; Baggaley, Elizabeth; Ward, Michael D.","Synthesis and photophysical properties of Ir(iii)/Re(i) dyads: control of Ir→Re photoinduced energy transfer.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11568","11579","10.1039/c6dt01614f","","","0.71073","MoKα","","0.0699","0.0577","","","0.1172","0.1236","","","","","","1.119","","","","has coordinates,has disorder","185508","2020-10-21","18:00:00",""
"7041019","14.1192","0.0009","26.6083","0.0017","30.5398","0.0019","90","","90","","90","","11473.4","1.3","296","2","296","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C56 H56 Fe2 N16 W -","- C56 H56 Fe2 N16 W -","- C448 H448 Fe16 N128 W8 -","8","","","Wei, Rong-Min; Kong, Ming; Cao, Fan; Li, Jing; Pu, Tian-Cheng; Yang, Li; Zhang, Xiu-Ling; Song, You","Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18643","18652","10.1039/c6dt03421g","","","0.71073","MoKα","","0.0303","0.0273","","","0.0868","0.0894","","","","","","1.068","","","","has coordinates","190118","2020-10-21","18:00:00",""
"7042008","13.6194","0.0006","17.9428","0.0009","36.8915","0.0017","90","","90","","90","","9015.2","0.7","100","2","100","2","","","","","","","","7","F d d d","-F 2uv 2vw","70","","TD43","","- C16 H28 Au F6 N4 O2 P -","- C16 H28 Au F6 N4 O2 P -","- C256 H448 Au16 F96 N64 O32 P16 -","16","","","Diehl, Tobias; Krause, Melanie T. S.; Ueberlein, Sven; Becker, Stefanie; Trommer, Aline; Schnakenburg, Gregor; Engeser, Marianne","Synthesis of hydroxyl-functionalized N-heterocyclic carbene gold(i) complexes and peptide conjugates.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2988","2997","10.1039/c6dt04834j","","x-ray","0.71073","MoKα","","0.0331","0.0238","","","0.0546","0.059","","","","","","1.133","","","","has coordinates,has disorder","193842","2020-10-21","18:00:00",""
"7047333","17.9384","0.0008","21.0551","0.001","38.4913","0.0016","90","","90","","90","","14538","1.1","123","","123","","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C74 H90 Cl2 O15 P4 U -","- C74 H84 Cl2 O15 P4 U -","- C592 H672 Cl16 O120 P32 U8 -","8","","","Mashita, Takanori; Tsushima, Satoru; Takao, Koichiro","Controlling lability of uranyl(VI) through intramolecular π-π stacking","Dalton Transactions","2018","","","","","10.1039/C8DT02600A","","","0.71075","MoKα","","0.0566","0.0499","","","0.1131","0.1162","","","","","","1.09","","","","has coordinates","210041","2020-10-21","18:00:00",""
"7049137","15.1924","0.0019","62.679","0.01","95.062","0.013","90","","90","","90","","90522","2","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C276 H204 Cl11 Eu4 N36 O68 -","- C276 H204 Cl11 Eu4 N36 O68 -","- C2208 H1632 Cl88 Eu32 N288 O544 -","8","","","Yan, Qianqian; Zhou, Lipeng; Zhou, Haiyue; Wang, Zhuo; Cai, Li-Xuan; Guo, Xiao-Qing; Sun, Xiaoqi; Sun, Qing-Fu","Metallopolymers Cross-Linked with Self-Assembled Ln4L4 Cages","Dalton Transactions","2019","","","","","10.1039/C8DT05015E","","","0.7388","synchrotron","","0.1914","0.1634","","","0.4469","0.4808","","","","","","2.478","","","","has coordinates","213818","2020-10-21","18:00:00",""
"7049624","19.64","0.002","22.99","0.003","29.085","0.003","90","","90","","90","","13133","3","296","2","296.15","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C28 H20 N4 O19 Zn3 -","- C28 H20 N4 O19 Zn3 -","- C448 H320 N64 O304 Zn48 -","16","","","Tong, Wen Quan; Liu, WeiNi; Ma, Lu-Lu; Wang, Yao; Wang, Jiao-Min; Wang, Yao-Yu; Hou, Lei","Five new 3D transition MOFs based on 1-(3,5-dicarboxylatobenzyl)-3,5-pyrazole dicarboxylic acid displaying the unique luminescent sensing towards Fe3+ and magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT00933G","","","0.71073","MoKα","","0.067","0.054","","","0.1411","0.1523","","","","","","1.05","","","","has coordinates","214590","2020-10-21","18:00:00",""
"7049627","15.339","0.003","30.839","0.007","32.07","0.007","90","","90","","90","","15170","6","296","2","296","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C448 H320 Cu64 N64 O320 -","- C448 H320 Cu64 N64 O320 -","- C448 H320 Cu64 N64 O320 -","1","","","Tong, Wen Quan; Liu, WeiNi; Ma, Lu-Lu; Wang, Yao; Wang, Jiao-Min; Wang, Yao-Yu; Hou, Lei","Five new 3D transition MOFs based on 1-(3,5-dicarboxylatobenzyl)-3,5-pyrazole dicarboxylic acid displaying the unique luminescent sensing towards Fe3+ and magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT00933G","","","0.71073","MoKα","","0.0529","0.0431","","","0.1064","0.1119","","","","","","1.022","","","","has coordinates","214590","2020-10-21","18:00:00",""
"7055855","13.067","0.0009","17.8555","0.0012","36.247","0.003","90","","90","","90","","8457.1","1.1","100","2","100","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C14 H20 Cl Cu2 N3 O13 -","- C14 H20 Cl Cu2 N3 O13 -","- C224 H320 Cl16 Cu32 N48 O208 -","16","","","Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch","New J. Chem.","2016","40","12","10378","","10.1039/C6NJ02381A","","","0.71073","MoKα","","0.0668","0.0433","","","0.1041","0.1202","","","","","","1.026","","","","has coordinates,has disorder","190249","2020-10-21","18:00:00",""
"7056650","31.573","0.002","43.5","0.003","45.318","0.003","90","","90","","90","","62241","7","120","2","120","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C264 H288 Ag12 F72 N48 P12 -","- C264 H288 Ag12 F72 N48 P12 -","- C2112 H2304 Ag96 F576 N384 P96 -","8","","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","","","","","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.1189","0.0973","","","0.2627","0.2792","","","","","","0.991","","","","has coordinates,has disorder","201497","2020-10-21","18:00:00",""
"7116797","16.18","0.002","43.077","0.005","45.485","0.006","90","","90","","90","","31702","7","296","2","296","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","Cu-BTT","","- C35 H41 Cu5 N40 O0 -","- C35 H41 Cu5 N40 -","- C560 H656 Cu80 N640 -","16","","","B. X. Dong; S. Y. Zhang; W. L. Liu; Y. C. Wu; J. Ge; L. Song; Y. L. Teng","Gas storage and separation in a water-stable [Cu^I^5BTT3]^4-^ anion framework comprising a giant multi-prismatic nanoscale cage","Chem.Commun.","2015","51","","5691","","10.1039/C4cc10002F","","","0.71073","MoKα","","0.0853","0.0489","","","0.136","0.1474","","","","","","0.993","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7119688","22.7096","0.001","30.714","0.0012","52.896","0.002","90","","90","","90","","36895","3","293","2","293","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C114 H108 Dy8 N48 O42 -","- C114 H108 Dy8 N48 O42 -","- C912 H864 Dy64 N384 O336 -","8","","","Li, Xiao-Lei; Wu, Jianfeng; Zhao, Lang; Shi, Wei; Cheng, Peng; Tang, Jinkui","End-to-end azido-pinned interlocking lanthanide squares.","Chemical communications (Cambridge, England)","2017","53","21","3026","3029","10.1039/c7cc00048k","","","0.71073","MoKα","","0.0789","0.0604","","","0.1952","0.2257","","","","","","1.005","","","","has coordinates,has disorder","194988","2020-10-21","18:00:00",""
"7120553","10.5556","0.0006","28.004","0.002","44.889","0.003","90","","90","","90","","13269.1","1.5","210","2","210","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C29 H24 Au2 Cl2 N8 -","- C29 H24 Au2 Cl2 N8 -","- C464 H384 Au32 Cl32 N128 -","16","","","Kaub, Christoph; Lebedkin, Sergei; Bestgen, Sebastian; Köppe, Ralf; Kappes, Manfred M.; Roesky, Peter W.","Defined tetranuclear coinage metal chains","Chem. Commun.","2017","","","","","10.1039/C7CC04705C","","","0.71073","MoKα","","0.0548","0.0317","","","0.0706","0.075","","","","","","0.887","","","","has coordinates","199782","2020-10-21","18:00:00",""
"7123112","13.3667","0.0007","20.5131","0.0013","36.0076","0.0014","90","","90","","90","","9873","0.9","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C16 H12 Fe Hg N6 S4 -","- C16 H12 Fe Hg N6 S4 -","- C256 H192 Fe16 Hg16 N96 S64 -","16","","","Lan, Wenlong; Valverde-Muñoz, Francisco Javier; Hao, Xiaoyun; Dou, Yong; Muñoz, Carmen; Zhou, Zhen; Liu, Hui; Liu, Qingyun; Real Cabezos, José Antonio A; Zhang, Daopeng","Unprecedented hetero-bimetallic three-dimensional spin crossover coordination polymer based on the tetrahedral [Hg(SeCN)4]2- building block","Chemical Communications","2019","","","","","10.1039/C9CC01291E","","","0.71073","MoKα","","0.0434","0.0334","","","0.083","0.0882","","","","","","1.078","","","","has coordinates","214043","2020-10-21","18:00:00",""
"7123113","12.9098","0.0009","20.5604","0.0011","36.051","0.002","90","","90","","90","","9569","1","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C16 H12 Fe Hg N6 Se4 -","- C16 H12 Fe Hg N6 Se4 -","- C256 H192 Fe16 Hg16 N96 Se64 -","16","","","Lan, Wenlong; Valverde-Muñoz, Francisco Javier; Hao, Xiaoyun; Dou, Yong; Muñoz, Carmen; Zhou, Zhen; Liu, Hui; Liu, Qingyun; Real Cabezos, José Antonio A; Zhang, Daopeng","Unprecedented hetero-bimetallic three-dimensional spin crossover coordination polymer based on the tetrahedral [Hg(SeCN)4]2- building block","Chemical Communications","2019","","","","","10.1039/C9CC01291E","","","0.71073","MoKα","","0.0552","0.0417","","","0.0992","0.1064","","","","","","0.971","","","","has coordinates","214043","2020-10-21","18:00:00",""
"7123114","13.2273","0.0005","20.9742","0.001","36.5434","0.001","90","","90","","90","","10138.3","0.7","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C16 H12 Fe Hg N6 Se4 -","- C16 H12 Fe Hg N6 Se4 -","- C256 H192 Fe16 Hg16 N96 Se64 -","16","","","Lan, Wenlong; Valverde-Muñoz, Francisco Javier; Hao, Xiaoyun; Dou, Yong; Muñoz, Carmen; Zhou, Zhen; Liu, Hui; Liu, Qingyun; Real Cabezos, José Antonio A; Zhang, Daopeng","Unprecedented hetero-bimetallic three-dimensional spin crossover coordination polymer based on the tetrahedral [Hg(SeCN)4]2- building block","Chemical Communications","2019","","","","","10.1039/C9CC01291E","","","0.71073","MoKα","","0.0605","0.0483","","","0.1432","0.1526","","","","","","1.001","","","","has coordinates","214043","2020-10-21","18:00:00",""
"7123251","24.0922","0.0019","30.1286","0.0012","68.447","0.003","90","","90","","90","","49683","5","100","2","100","2","","","","","","","","7","F d d d","-F 2uv 2vw","70","","","","- C218.5 H132 Br13 Co10 F36 N44 O19.75 -","- C156 H132 Br13 Co10 F36 N36 -","- C1248 H1056 Br104 Co80 F288 N288 -","8","","","Liang, Liang; Luo, Dong; Zuo, Tao; Zhou, Xiao-Ping; Li, Dan","Control over synthesis of homovalent and mixed-valent cubic cobalt-imidazolate cages","Chemical Communications","2019","","","","","10.1039/C9CC02083G","","","1.54178","CuKα","","0.2629","0.1405","","","0.3732","0.4544","","","","","","1.21","","","","has coordinates","214452","2020-10-21","18:00:00",""
"7208137","21.584","0.003","25.772","0.004","40.899","0.004","90","","90","","90","","22751","5","120","","120","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C129 H151.5 Cl3.5 Ir2 N4 -","- C129.12 H151.6 Cl3.52 Ir2 N4 -","- C1032.96 H1212.8 Cl28.16 Ir16 N32 -","8","","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","x-ray","0.71073","MoKα","K-L~3~","0.0842","0.0482","","","0.1093","0.1332","","","","","","1.259","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208138","21.975","0.002","25.478","0.002","40.842","0.004","90","","90","","90","","22867","4","120","2","120","","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C129 H147.5 Cl3.5 F4 Ir2 N4 -","- C129 H147.5 Cl3.5 F4 Ir2 N4 -","- C1032 H1180 Cl28 F32 Ir16 N32 -","8","","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","x-ray","0.71073","MoKα","K-L~3~","0.1293","0.0514","","","0.1111","0.1385","","","","","","1.443","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7220636","7.5684","0.001","12.432","0.002","34.803","0.004","90","","90","","90","","3274.6","0.8","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Xcalibur","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1719","0.0772","","","0.1504","0.1999","","","","","","1.077","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220637","7.2661","0.0015","12.407","0.008","34.55","0.005","90","","90","","90","","3115","2","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1586","0.0848","","","0.2067","0.2753","","","","","","1.027","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220638","7.173","0.003","12.383","0.005","34.439","0.004","90","","90","","90","","3059","1.8","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.56087","AgKα","","0.2145","0.0933","","","0.2169","0.2891","","","","","","1.014","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220639","7.04","0.002","12.334","0.004","34.323","0.003","90","","90","","90","","2980.3","1.3","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.129","0.0696","","","0.1817","0.2223","","","","","","1.029","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220640","6.9376","0.0016","12.228","0.003","34.174","0.002","90","","90","","90","","2899.1","1","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1104","0.0698","","","0.1839","0.2223","","","","","","1.086","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7227460","12.209","0.011","20.445","0.018","20.68","0.019","90","","90","","90","","5162","8","296","2","296.15","","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- Eu Ga2 S4 -","- Eu Ga2 S4 -","- Eu32 Ga64 S128 -","32","","","Chi, Yang; Guo, Sheng-Ping; Xue, Huai-Guo","Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties","RSC Adv.","2017","7","9","5039","","10.1039/C6RA25283D","","","0.71073","MoKα","","0.0421","0.0342","","","0.0841","0.0894","","","","","","1.145","","","","has coordinates","190641","2020-10-21","18:00:00",""
"7227461","13.4899","0.0007","21.7475","0.0013","21.8592","0.0011","90","","90","","90","","6412.9","0.6","296","2","296.15","","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- Eu In2 Se4 -","- Eu In2 Se4 -","- Eu32 In64 Se128 -","32","","","Chi, Yang; Guo, Sheng-Ping; Xue, Huai-Guo","Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties","RSC Adv.","2017","7","9","5039","","10.1039/C6RA25283D","","","0.71073","MoKα","","0.0493","0.0285","","","0.0594","0.0666","","","","","","1.093","","","","has coordinates","190642","2020-10-21","18:00:00",""
"7227462","13.016","0.003","20.772","0.005","21.076","0.005","90","","90","","90","","5698","2","296","2","296.15","","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- Eu In2 S4 -","- Eu In2 S4 -","- Eu32 In64 S128 -","32","","","Chi, Yang; Guo, Sheng-Ping; Xue, Huai-Guo","Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties","RSC Adv.","2017","7","9","5039","","10.1039/C6RA25283D","","","0.71073","MoKα","","0.0428","0.0327","","","0.0793","0.0878","","","","","","1.09","","","","has coordinates","190643","2020-10-21","18:00:00",""
"7227463","20.398","0.006","20.682","0.006","12.234","0.004","90","","90","","90","","5161","3","296","2","296.15","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","","","- Eu Ge S4 Zn -","- Eu Ge S4 Zn -","- Eu32 Ge32 S128 Zn32 -","32","","","Chi, Yang; Guo, Sheng-Ping; Xue, Huai-Guo","Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties","RSC Adv.","2017","7","9","5039","","10.1039/C6RA25283D","","","0.71073","MoKα","","0.0553","0.0483","","","0.1245","0.1279","","","","","","1.129","","","","has coordinates","190644","2020-10-21","18:00:00",""
"7228669","16.8213","0.0016","41.992","0.004","49.548","0.004","90","","90","","90","","34999","5","150","2","150","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C60 H48 Cd3 N2 O22 -","- C60 H48 Cd3 N2 O22 -","- C960 H768 Cd48 N32 O352 -","16","","","Peng, Hai-Jun; Hao, Gui-Xia; Chu, Zhao-Hua; Lin, Yin-Wan; Lin, Xiao-Ming; Cai, Yue-Peng","Porous carbon with large surface area derived from a metal‒organic framework as a lithium-ion battery anode material","RSC Adv.","2017","7","54","34104","","10.1039/C7RA05090A","","","1.54178","CuKα","","0.0762","0.0648","","","0.1889","0.2023","","","","","","1.092","","","","has coordinates","198580","2020-10-21","18:00:00",""
"7230241","22.071","0.003","25.991","0.003","28.554","0.004","90","","90","","90","","16380","4","293","2","293","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","5,5,11,11-tetrabutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11- diazadibenzo[ef,kl]heptalene-5,11-diium-bromide","","- C68 H90 Br2 N2 O3 -","- C56 H66 Br2 N2 -","- C448 H528 Br16 N16 -","8","","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71075","MoKα","","0.2964","0.2302","","","0.5471","0.5847","","","","","","1.876","","","","has coordinates","206757","2020-10-21","18:00:00",""
"7231559","13.7697","0.0005","26.2046","0.0009","31.9937","0.0012","90","","90","","90","","11544.3","0.7","90","2","90","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C48 H32 Cl8 Mn2 N16 Nb -","- C48 H32 Cl8 Mn2 N16 Nb -","- C384 H256 Cl64 Mn16 N128 Nb8 -","8","","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0486","0.0453","","","0.0693","0.0702","","","","","","1.417","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231561","13.9379","0.0003","26.6853","0.0005","31.5931","0.0006","90","","90","","90","","11750.6","0.4","296","2","296","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C48 H32 Cl8 Mn2 N16 Nb -","- C48 H32 Cl8 Mn2 N16 Nb -","- C384 H256 Cl64 Mn16 N128 Nb8 -","8","","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0648","0.0589","","","0.1058","0.108","","","","","","1.368","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231849","12.85","0.004","18.906","0.006","61.98","0.03","90","","90","","90","","15058","10","293","2","293.15","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C32 H16 Cd N2 O10 -","- C32 H16 Cd N2 O8 -","- C512 H256 Cd16 N32 O128 -","16","","","wang, tao; Huang, Kun; Peng, Mengni; Li, Xianglin; Han, Defang; jing, linhai; Qin, Dabin","Metal-Organic Frameworks Based on Tetraphenylpyrazine Derived Tetracarboxylic Acid for Electrocatalytic Hydrogen Evolution Reaction and NACs Sensing","CrystEngComm","2018","","","","","10.1039/C8CE01868E","","","0.71073","MoKα","","0.0453","0.0313","","","0.0752","0.0797","","","","","","1.03","","","","has coordinates","212093","2020-10-21","18:00:00",""