# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-06T00:08:18+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'R 3' 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
"1518918","15.6097","0.0011","15.6097","0.0011","23.225","0.003","90","","90","","120","","4900.9","0.8","296.15","","296.15","","","","","","","","","7","R 3","R 3","146","","","","- C42 H84 Br3 F6 P7 Se4 W3 -","- C42 H84 Br3 F6 P7 Se4 W3 -","- C126 H252 Br9 F18 P21 Se12 W9 -","3","","","Eva M. Guillamon; Marta Blasco; Rosa Llusar","Enantioselective synthesis of tungsten trimetallic cluster chalcogenides","Inorganica Chimica Acta","2015","424","","248","253","","","","0.71073","MoKα","","0.0365","0.0322","","","0.0838","0.0861","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1544502","9.4334","0.0006","9.4334","0.0006","12.5156","0.0006","90","","90","","120","","964.54","0.1","","","","","","","","","","","","3","R 3","R 3","146","Sr6Co5O14.3","","","- Co5 O14.3 Sr6 -","- Co5 O14.34 Sr6 -","- Co15 O43.02 Sr18 -","3","","","Iwasaki, K; Yamane, H.; Murase, T.; Yoshino, M.; Ito, T.; Nagasaki, T.; Arita, Y.; Matsui, T.","Crystal structure of an oxygen deficient strontium cobaltate, Sr6Co5O14.3","Journal of the Ceramic Society of Japan","2009","117","","89","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","187866","2020-10-21","18:00:00",""
"1548371","23.3017","0.0003","23.3017","0.0003","51.4329","0.0007","90","","90","","120","","24185","0.5","100","2","100.15","","","","","","","","","3","R 3","R 3","146","(AAAA)-2","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54178","CuKα","","0.1069","0.096","","","0.2428","0.2551","","","","","","0.982","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548372","23.1134","0.0009","23.1134","0.0009","52.322","0.003","90","","90","","120","","24207.1","1.9","100.01","0.1","100.01","0.1","","","","","","","","3","R 3","R 3","146","(CAAA)-2","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.0823","0.0696","","","0.1906","0.2059","","","","","","0.935","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548373","23.121","0.002","23.121","0.002","51.666","0.002","90","","90","","120","","23919","3","100.01","0.1","100.01","0.1","","","","","","","","3","R 3","R 3","146","(CCCC)-3","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","x-ray","1.54184","CuKα","","0.1038","0.0725","","","0.1663","0.185","","","","","","0.811","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548374","23.2072","0.0006","23.2072","0.0006","52.1786","0.0011","90","","90","","120","","24337.1","1","100.15","","100.15","","","","","","","","","3","R 3","R 3","146","(CCCA)-3","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.0763","0.0646","","","0.1752","0.1855","","","","","","0.941","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1549250","21.3987","0.0016","21.3987","0.0016","21.3164","0.0018","90","","90","","120","","8453.2","1.1","100","","100","","","","","","","","","4","R 3","R 3","146","","","","- C103.75 H111.5 Cl15.5 N24 -","- C103.75 H111.5 Cl15.4999 N24 -","- C311.25 H334.499 Cl46.4997 N72 -","3","","","McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew","Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage","Faraday Discussions","2018","","","","","10.1039/C8FD00031J","","x-ray","0.6889","","","0.0973","0.0912","","","0.2501","0.2591","","","","","","1.065","","","","has coordinates,has disorder","207358","2020-10-21","18:00:00",""
"1550830","9.77454","0.00019","9.77454","0.00019","29.794","0.0011","90","","90","","120","","2465.2","0.11","100","2","100","2","","","101325","","","","synthetic","6","R 3","R 3","146","","Sodium magnesium iron(III) oxalate hexahydrate","","- C6 H12 Fe Mg Na O18 -","- C6 H12 Fe Mg Na O18 -","- C36 H72 Fe6 Mg6 Na6 O108 -","6","","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0724","0.0607","","","0.1522","0.1672","","","","","","1.086","","","","has coordinates","214453","2020-10-21","18:00:00",""
"2003020","12.532","","12.532","","12.717","","90","","90","","120","","1729.64","","","","","","","","","","","","","3","R 3","R 3","","","","","- B2 Ba O2 -","- B6 Ba3 O12 -","- B36 Ba18 O72 -","6","","MU0327","Xue, D. F.; Zhang, S. Y.","Structure and Non-linear Optical Properties of β -Barium Borate","Acta Crystallographica Section B","1998","54","5","652","656","10.1107/S0108768198004649","","","0.71","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009566","8.8281","0.0011","8.8281","0.0011","9.104","0.002","90","","90","","120","","614.47","0.17","108","","","","","","","","","","","4","R 3","R 3","","","","","- H13 Mg O9 P -","- H13 Mg O9 P -","- H39 Mg3 O27 P3 -","3","","ST1056","Powell, D. R.; Smith, S. K.; Ross, F. K.; Farrar, T. C.","Neutron and X-ray diffraction study of magnesium phosphite hexahydrate, [Mg(H~2~O)~6~]^2+^[PHO~3~]^2{‒^}","Acta Crystallographica Section C","1994","50","3","342","346","10.1107/S0108270193008169","","","1.54178","CuKα","","","0.0209","","","0.0255","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009567","8.868","0.002","8.868","0.002","9.15","0.002","90","","90","","120","","623.2","0.2","293","","","","","","","","","","","4","R 3","R 3","","","","","- H13 Mg O9 P -","- H13 Mg O9 P -","- H39 Mg3 O27 P3 -","3","","ST1056","Powell, D. R.; Smith, S. K.; Ross, F. K.; Farrar, T. C.","Neutron and X-ray diffraction study of magnesium phosphite hexahydrate, [Mg(H~2~O)~6~]^2+^[PHO~3~]^2{‒^}","Acta Crystallographica Section C","1994","50","3","342","346","10.1107/S0108270193008169","","neutron","1.063","Neutron(Cu[220])","","","0.041","","","0.023","","","","","2.77","2.77","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2021261","20.3334","0.0003","20.3334","0.0003","18.7836","0.0003","90","","90","","120","","6725.58","0.18","130","0.1","130","0.1","","","","","","","","8","R 3","R 3","146","","Sodium tris[triaqua(μ-1,10-phenanthroline-2,9-dicarboxylato)dysprosium(III)] silicododecatungstate dodecahydrate","","- C42 H18 Dy3 N6 Na O73.5 Si W12 -","- C42 H18 Dy3 N6 Na O73.5 Si W12 -","- C126 H54 Dy9 N18 Na3 O220.5 Si3 W36 -","3","","JR3020","Derakhshanrad, Shadi; Mirzaei, Masoud; Najafi, Atefeh; Ritchie, Chris; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.","Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW~12~O~40~]^4{-^}: a synthetic, structural and computational investigation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009580","","x-ray","1.54184","CuKα","","0.0356","0.0355","","","0.0975","0.0976","","","","","","1.022","","","","has coordinates","211522","2020-10-21","18:00:00",""
"2021262","18.119","0.003","18.119","0.003","21.078","0.003","90","","90","","120","","5992.8","1.6","100","2","100","2","","","","","","","","8","R 3","R 3","146","","Sodium aqua tris[tetraaqua(μ-4-hydroxypyridine-2,6-dicarboxylato)praseodymium(III)] silicododecatungstate dodecahydrate","","- C21 H53 N3 Na O80 Pr3 Si W12 -","- C21 H53.0016 N3 Na O79.9999 Pr3 Si W12 -","- C63 H159.005 N9 Na3 O240 Pr9 Si3 W36 -","3","","JR3020","Derakhshanrad, Shadi; Mirzaei, Masoud; Najafi, Atefeh; Ritchie, Chris; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.","Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW~12~O~40~]^4{-^}: a synthetic, structural and computational investigation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009580","","","0.71073","MoKα","","0.0357","0.0304","","","0.0645","0.0652","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","211522","2020-10-21","18:00:00",""
"2100040","24.95","","24.95","","10.878","","90","","90","","120","","5864.36","","","","","","","","","","","","","4","R 3","","","","","","- C33 H33 N Si -","- C33 H33 N Si -","- C297 H297 N9 Si9 -","9","","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2237003","20.3249","0.0007","20.3249","0.0007","22.3186","0.0006","90","","90","","120","","7984.6","0.4","180","2","180","2","","","","","","","","7","R 3","R 3","146","","Tris(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)europium(III)‒ (nitrato-κ^2^<i>O</i>,<i>O</i>')bis(thiocyanato- κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)europium(III) (1/1)","","- C113 H90 Eu2 N6 O9 P6 S5 -","- C113.001 H90 Eu2 N6 O8.997 P6 S5.001 -","- C339.003 H270 Eu6 N18 O26.991 P18 S15.003 -","3","","QM2089","Thames, Anthony T.; White, Frankie D.; Pham, Lam N.; Xiang, Kang Rui; Sykora, Richard E.","Tris(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)europium(III)‒(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)europium(III) (1/1)","Acta Crystallographica Section E","2012","68","12","m1530","","10.1107/S1600536812047472","","","0.71073","MoKα","","0.0519","0.0424","","","0.0595","0.0653","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239507","15.3833","0.0008","15.3833","0.0008","6.7051","0.0003","90","","90","","120","","1374.15","0.12","115","","115","","","","","","","","","4","R 3","R 3","146","Tribenzylammonium chloride","Tribenzylazanium chloride","","- C21 H22 Cl N -","- C21 H22 Cl N -","- C63 H66 Cl3 N3 -","3","","WM5019","Diallo, Waly; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Tribenzylammonium chloride","Acta Crystallographica Section E","2014","70","5","o618","o619","10.1107/S1600536814009246","","","0.71073","MoKα","","0.0209","0.0208","","","0.0514","0.0515","","","","","","1.104","","","","has coordinates,has Fobs","301806","2025-08-19","15:27:33",""
"2241604","23.038","0.002","23.038","0.002","18.4214","0.0017","90","","90","","120","","8467.3","1.3","296","2","296","2","","","","","","","","7","R 3","R 3","146","","Tris[bis(triphenylphosphoranylidene)ammonium] tris(μ~2~-4-chloropyrazolato-κ^2^<i>N</i>:<i>N</i>')-μ~3~-oxido-tris[(nitrato-κ^2^<i>O</i>,<i>O</i>')cuprate(II)] nitrate monohydrate","","- C117 H98 Cl3 Cu3 N13 O14 P6 -","- C117 H98 Cl3 Cu3 N13 O14 P6 -","- C351 H294 Cl9 Cu9 N39 O42 P18 -","3","","WM4004","Mathivathanan, Logesh; Cruz, Raquel; Raptis, Raphael G.","A [Cu~3~(μ~3~-O)]–pyrazolate metallacycle with terminal nitrate ligands exhibiting point group symmetry 3","Acta Crystallographica Section E","2016","72","4","492","494","10.1107/S2056989016003741","","","0.71073","MoKα","","0.0466","0.034","","","0.0811","0.0882","","","","","","1.027","","","","has coordinates,has Fobs","301807","2025-08-19","18:33:44",""
"4032853","27.2782","0.0005","27.2782","0.0005","10.61163","0.00018","90","","90","","120","","6838.2","0.2","100","0.1","100","0.1","","","","","","","","5","R 3","R 3","146","","","","- C14 H18 F3 N O2 -","- C14 H18 F3 N O2 -","- C252 H324 F54 N18 O36 -","18","","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0911","0.0826","","","0.2245","0.2364","","","","","","1.064","","","","has coordinates,has disorder","301828","2025-08-20","10:32:33",""
"4338473","22.031","0.003","22.031","0.003","7.0266","0.0014","90","","90","","120","","2953.5","0.8","293","2","293","2","","","","","","","","4","R 3","R 3","146","","","","- Al27 B57 H54 O153 -","- Al27 B57.0006 H54 O153 -","- Al27 B57.0006 H54 O153 -","1","","","Li, Qiaoqi; Lin, Cong; Zhou, Zhengyang; Ju, Jing; Li, Guobao; Lin, Jianhua; Gao, Wenliang; Cong, Rihong; Yang, Tao","Systematic study of cr(3+) substitution into octahedra-based microporous aluminoborates.","Inorganic chemistry","2014","53","11","5600","5608","10.1021/ic500352g","","","0.71073","MoKα","","0.0525","0.0482","","","0.1141","0.1167","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341116","17.3752","0.001","17.3752","0.001","40.085","0.002","90","","90","","120","","10480.3","1","103","2","103","2","","","","","","","","6","R 3","R 3","146","","","","- C140 H128.79 Cl16 Cu6 O15 P6 -","- C140 H128.74 Cl15.9996 Cu6 O15 P6 -","- C419.999 H386.219 Cl47.9988 Cu18 O45 P18 -","3","","","Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.","A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters.","Inorganic chemistry","2014","53","19","10232","10239","10.1021/ic501233w","","","0.71073","MoKα","","0.108","0.0686","","","0.1828","0.2106","","","","","","1.007","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4341117","33.8786","0.0006","33.8786","0.0006","42.7681","0.0009","90","","90","","120","","42511","1.4","103","2","103","2","","","","","","","","7","R 3","R 3","146","","","","- C144.62 H115.25 Cl7.25 Cu6 F6 O6 P6 -","- C144.625 H115.25 Cl7.24995 Cu6 F6 O6 P6 -","- C1735.5 H1383 Cl86.9994 Cu72 F72 O72 P72 -","12","","","Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.","A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters.","Inorganic chemistry","2014","53","19","10232","10239","10.1021/ic501233w","","","0.71073","MoKα","","0.1256","0.072","","","0.1907","0.2329","","","","","","1.031","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341120","29.118","0.003","29.118","0.003","16.8751","0.0014","90","","90","","120","","12391","2","153","2","153","2","","","","","","","","6","R 3","R 3","146","","","","- C142 H152 Cl38 Cu6 O24 P6 -","- C126 H120 Cl6 Cu6 O24 P6 -","- C378 H360 Cl18 Cu18 O72 P18 -","3","","","Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.","A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters.","Inorganic chemistry","2014","53","19","10232","10239","10.1021/ic501233w","","","0.71073","MoKα","","0.1317","0.0826","","","0.2082","0.2272","","","","","","0.951","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4343288","20.5114","0.0003","20.5114","0.0003","32.7097","0.0005","90","","90","","120","","11917.8","0.3","150.1","0.1","150.1","0.1","","","","","","","","7","R 3","R 3","146","","","","- C107 H201 Cu4 Er9 N4 O55 P6 -","- C107 H201 Cu4 Er9 N4 O55 P6 -","- C321 H602.999 Cu12 Er27 N12 O165 P18 -","3","","","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","","0.0374","0.0324","","","0.0632","0.0673","","","","","","1.117","","","","has coordinates,has disorder","139087","2020-10-21","18:00:00",""
"4343289","20.5695","0.0003","20.5695","0.0003","33.1977","0.0005","90","","90","","120","","12164.3","0.3","150.1","0.1","150.1","0.1","","","","","","","","7","R 3","R 3","146","","","","- C107 H201 Cu4 Gd9 N4 O55 P6 -","- C107 H201 Cu4 Gd9 N4 O55 P6 -","- C321 H602.999 Cu12 Gd27 N12 O165 P18 -","3","","","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","","0.0499","0.0383","","","0.0779","0.0848","","","","","","1.031","","","","has coordinates,has disorder","139088","2020-10-21","18:00:00",""
"4343291","20.6225","0.0009","20.6225","0.0009","32.86","0.0019","90","","90","","120","","12102.7","1","150","0.1","150","0.1","","","","","","","","7","R 3","R 3","146","","","","- C107 H201 Cu4 Ho9 N4 O55 P6 -","- C107 H201 Cu4 Ho9 N4 O55 P6 -","- C321 H602.999 Cu12 Ho27 N12 O165 P18 -","3","","","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","","0.0717","0.0617","","","0.1453","0.1555","","","","","","1.05","","","","has coordinates,has disorder","139090","2020-10-21","18:00:00",""
"4343292","20.5015","0.0005","20.5015","0.0005","32.8593","0.0014","90","","90","","120","","11960.8","0.7","100.15","","100.15","","","","","","","","","7","R 3","R 3","146","","","","- C107 H201 Cu4 N4 O55 P6 Tb9 -","- C107 H201 Cu4 N4 O55 P6 Tb9 -","- C321 H602.999 Cu12 N12 O165 P18 Tb27 -","3","","","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","","","0.6889","","","0.0589","0.0499","","","0.1029","0.1099","","","","","","1.022","","","","has coordinates,has disorder","139091","2020-10-21","18:00:00",""
"4343293","20.5394","0.0004","20.5394","0.0004","32.7197","0.0007","90","","90","","120","","11954.1","0.4","100","2","100.15","","","","","","","","","7","R 3","R 3","146","","","","- C107 H201 Cu4 Dy9 N4 O55 P6 -","- C107 H201 Cu4 Dy9 N4 O55 P6 -","- C321 H602.999 Cu12 Dy27 N12 O165 P18 -","3","","","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","","0.0587","0.0454","","","0.084","0.0903","","","","","","1.087","","","","has coordinates","139092","2020-10-21","18:00:00",""
"4345589","40.6952","0.0006","40.6952","0.0006","6.06539","0.0001","90","","90","","120","","8699.1","0.2","120","1","120","1","","","","","","","","6","R 3","R 3","146","","","","- C18 H25 F N3 Ni O2.5 -","- C18 H25 F N3 Ni O2.5 -","- C324 H450 F18 N54 Ni18 O45 -","18","","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","1.54184","CuKα","","0.0281","0.0265","","","0.0571","0.0576","","","","","","1.058","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345977","27.1408","0.001","27.1408","0.001","12.7751","0.0006","90","","90","","120","","8149.7","0.6","110.15","","110.15","","","","","","","","","6","R 3","R 3","146","","","","- C28 H33 F4 O3 S Sb -","- C28 H33 F3.99993 O2.99993 S0.999975 Sb -","- C336 H396 F47.9991 O35.9991 S11.9997 Sb12 -","12","","","Yang, Mengxi; Gabbaï, François P","Synthesis and Properties of Triarylhalostibonium Cations.","Inorganic chemistry","2017","56","15","8644","8650","10.1021/acs.inorgchem.7b00293","","","0.71073","MoKα","","0.0691","0.0601","","","0.0963","0.1015","","","","","","1.078","","","","has coordinates,has disorder","200152","2020-10-21","18:00:00",""
"4513710","14.4289","0.0004","14.4289","0.0004","31.393","0.0011","90","","90","","120","","5660.2","0.3","120","2","120","2","","","","","","","","6","R 3","R 3","146","","","","- C78 H60 Br6 Fe O12 P3 -","- C75 H45 Br6 Fe O12 P3 -","- C225 H135 Br18 Fe3 O36 P9 -","3","","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.1069","0.0875","","","0.2328","0.254","","","","","","1.076","","","","has coordinates,has disorder","175769","2020-10-21","18:00:00",""
"4514161","21.2602","0.0005","21.2602","0.0005","10.1814","0.0003","90","","90","","120","","3985.41","0.18","110.05","0.1","110.05","0.1","","","","","","","","4","R 3","R 3","146","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C180 H180 N18 O27 -","9","","","Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mild and Regioselective Pd(OAc)2-Catalyzed C–H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid","ACS Catalysis","2017","","","5174","","10.1021/acscatal.6b03121","","x-ray","0.71073","MoKα","","0.0404","0.0363","","","0.0863","0.09","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514163","20.7806","0.0002","20.7806","0.0002","11.18107","0.00013","90","","90","","120","","4181.48","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","R 3","R 3","146","","","","- C20 H19 Cl N2 O3 -","- C20 H19 Cl N2 O3 -","- C180 H171 Cl9 N18 O27 -","9","","","Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mild and Regioselective Pd(OAc)2-Catalyzed C–H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid","ACS Catalysis","2017","","","5174","","10.1021/acscatal.6b03121","","x-ray","1.54184","CuKα","","0.0219","0.0217","","","0.055","0.0552","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:43",""
"6000095","11.48","","11.48","","87.46","","90","","90","","120","","9982.15","","","","","","","","","","","","","4","R 3","","","","","","- H3 Mo12 O40 P -","","","","","","Marosi, L.; Platero, E. E.; Cifre, J.; Arean, C. O.","Thermal dehydration of H3+xPVxM12-xO40 center dot yH(2)O Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3PM12O40, of the corresponding anhydrides PM12O38.5 and of a novel trihydrate H3PW12O40 3H(2)O","Journal of Materials Chemistry","2000","10","","1949","1955","10.1039/b001476l","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000644","14.009","","14.009","","9.386","","90","","90","","120","","1595.24","","","","","","","","","","","","","4","R 3","","","","","","- As Li O4 Zn -","","","","","","Jensen, T. R.; Norby, P.; Hanson, J. C.; Simonsen, O.; Skou, E. M.; Stein, P. C.; Boye, H. A.","Hydrothermal synthesis and crystal structure of alpha-LiZnAsO4","Journal of Materials Chemistry","1998","8","","969","975","10.1039/a707130b","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7029541","21.6392","0.0005","21.6392","0.0005","11.4683","0.0004","90","","90","","120","","4650.6","0.2","120","","120","","","","","","","","","7","R 3","R 3","146","","","","- C54 H57 Eu F9 N9 O12 S3 -","- C54 H57 Eu F9 N9 O12 S3 -","- C162 H171 Eu3 F27 N27 O36 S9 -","3","","","Neil, Emily R.; Funk, Alexander M.; Yufit, Dmitry S.; Parker, David","Synthesis, stereocontrol and structural studies of highly luminescent chiral tris-amidepyridyl-triazacyclononane lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5490","5504","10.1039/c3dt53000k","","x-ray","0.71073","MoKα","K-L~3~","0.0417","0.0412","","","0.1043","0.1049","","","","","","1.026","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029542","21.6423","0.0008","21.6423","0.0008","11.5027","0.0007","90","","90","","120","","4665.9","0.4","120","","120","","","","","","","","","7","R 3","R 3","146","","","","- C54 H57 Eu F9 N9 O12 S3 -","- C54 H57 Eu F9 N9 O12 S3 -","- C162 H171 Eu3 F27 N27 O36 S9 -","3","","","Neil, Emily R.; Funk, Alexander M.; Yufit, Dmitry S.; Parker, David","Synthesis, stereocontrol and structural studies of highly luminescent chiral tris-amidepyridyl-triazacyclononane lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5490","5504","10.1039/c3dt53000k","","x-ray","0.71073","MoKα","K-L~3~","0.0282","0.0281","","","0.074","0.0742","","","","","","1.029","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029543","21.836","0.002","21.836","0.002","11.1868","0.0017","90","","90","","120","","4619.4","0.9","120","","120","","","","","","","","","7","R 3","R 3","146","","","","- C54 H57 F9 N9 O12 S3 Yb -","- C54 H57 F9 N9 O12 S3 Yb -","- C162 H171 F27 N27 O36 S9 Yb3 -","3","","","Neil, Emily R.; Funk, Alexander M.; Yufit, Dmitry S.; Parker, David","Synthesis, stereocontrol and structural studies of highly luminescent chiral tris-amidepyridyl-triazacyclononane lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5490","5504","10.1039/c3dt53000k","","x-ray","0.71073","MoKα","K-L~3~","0.0442","0.0437","","","0.1116","0.1123","","","","","","1.053","","","","has coordinates,has disorder","301848","2025-08-21","12:23:50",""
"7044447","30.7836","0.0004","30.7836","0.0004","19.4632","0.0006","90","","90","","120","","15972.9","0.6","173","2","173","2","","","","","","","","7","R 3","R 3","146","","","","- C201 H201 Br Cu18 N45 Na O48 -","- C201 H201 Br Cu18 N45 Na O48 -","- C603 H603 Br3 Cu54 N135 Na3 O144 -","3","","","Chen, Zilu; Shen, Yanling; Li, Lingling; Zou, Hua-Hong; Fu, Xiaoxiao; Liu, Ziyuan; Wang, Kai; Liang, Fupei","High-nuclearity heterometallic clusters with both anion and cation sandwiched by planar cluster units: synthesis, structure and properties","Dalton Trans.","2017","","","","","10.1039/C7DT02881D","","","0.71073","MoKα","","0.0538","0.0401","","","0.0986","0.109","","","","","","1.067","","","","has coordinates","201876","2020-10-21","18:00:00",""
"7044449","30.6756","0.0004","30.6756","0.0004","19.4069","0.0009","90","","90","","120","","15815.1","0.8","173","2","173","2","","","","","","","","7","R 3","R 3","146","","","","- C201 H201 Cl Cu18 N45 Na O48 -","- C201 H201 Cl Cu18 N45 Na O48 -","- C603 H603 Cl3 Cu54 N135 Na3 O144 -","3","","","Chen, Zilu; Shen, Yanling; Li, Lingling; Zou, Hua-Hong; Fu, Xiaoxiao; Liu, Ziyuan; Wang, Kai; Liang, Fupei","High-nuclearity heterometallic clusters with both anion and cation sandwiched by planar cluster units: synthesis, structure and properties","Dalton Trans.","2017","","","","","10.1039/C7DT02881D","","","0.71073","MoKα","","0.1047","0.0562","","","0.1108","0.1341","","","","","","1.023","","","","has coordinates","201876","2020-10-21","18:00:00",""
"7047288","19.5746","0.0002","19.5746","0.0002","21.774","0.0003","90","","90","","120","","7225.28","0.14","293","2","293","2","","","","","","","","5","R 3","R 3","146","","","","- C21 H15.67 Gd2 N3 O15.33 -","- C21 H15.66 Gd2 N3 O15.3333 -","- C189 H140.94 Gd18 N27 O138 -","9","","","Kumar, Manesh; Kariem, Mukaddus; Sheikh, Haq Nawaz; Frontera, Antonio; Seth, Saikat Kumar; Jassal, Amanpreet Kaur","A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties","Dalton Transactions","2018","","","","","10.1039/C8DT02429D","","x-ray","0.71073","MoKα","","0.0425","0.0424","","","0.1257","0.1258","","","","","","1.096","","","","has coordinates","209839","2020-10-21","18:00:00",""
"7048786","19.423","0.0019","19.423","0.0019","29.434","0.003","90","","90","","120","","9616.4","1.7","149.99","","149.99","","","","","","","","","7","R 3","R 3","146","","","","- C36.33 H48 Cu F8 N4 O P1.33 -","- C36.333 H47.9991 Cu F8.0002 N4 O P1.3333 -","- C326.997 H431.992 Cu9 F72.0018 N36 O9 P11.9997 -","9","","","Das, Biswanath; Bhadbhade, Mohan; Thapper, Anders; Ling, Chris D.; Colbran, Stephen Boyd","A New Tri-nuclear Cu-carbonate Cluster Utilizing CO2 as C1-Building Block-Reactive Intermediates, Probable Mechanism, EPR and Magnetic Studies","Dalton Transactions","2019","","","","","10.1039/C8DT04858D","","","0.71073","MoKα","","0.1592","0.0812","","","0.2111","0.2586","","","","","","1.025","","","","has coordinates,has disorder","213360","2020-10-21","18:00:00",""
"7049754","37.7119","0.0013","37.7119","0.0013","13.4414","0.0004","90","","90","","120","","16555.1","0.9","133.15","","133.15","","","","","","","","","7","R 3","R 3","146","","","","- C39.75 H36.5 Cl2.5 N O2 P2 Pd -","- C39.75 H36.5 Cl2.5 N O2 P2 Pd -","- C715.5 H657 Cl45 N18 O36 P36 Pd18 -","18","","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0746","0.0628","","","0.1518","0.1584","","","","","","1.005","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7109598","27.2258","0.0004","27.2258","0.0004","10.8365","0.0002","90","","90","","120","","6956.34","0.19","90","1","90","1","","","","","","","","4","R 3","R 3","146","S-Thiadianin's, R-Dianin's empty Quasiracemate","","","- C36 H40 O3 S -","- C36 H40 O3 S -","- C324 H360 O27 S9 -","9","","","Christopher S. Frampton; Kamal A. Ketuly; A. Hamid A. Hadi; James H. Gall; David D. MacNicol","Engineering robust polar chiral clathrate crystals","Chem.Commun.","2013","49","","7198","","10.1039/c3cc43012j","","","1.54178","CuKα","","0.0374","0.0352","","","0.0952","0.0975","","","","","","1.002","","","","has coordinates","301853","2025-08-21","21:50:10",""
"7109599","27.3283","0.0004","27.3283","0.0004","10.8327","0.0003","90","","90","","120","","7006.4","0.2","100","1","100","1","","","","","","","","5","R 3","R 3","146","S-Thiadianin's, R-Dianin's CCl4,H2O Quasiracemate","","","- C109 H121 Cl4 O9.5 S3 -","- C109 H120 Cl4 O9.5 S3 -","- C327 H360 Cl12 O28.5 S9 -","3","","","Christopher S. Frampton; Kamal A. Ketuly; A. Hamid A. Hadi; James H. Gall; David D. MacNicol","Engineering robust polar chiral clathrate crystals","Chem.Commun.","2013","49","","7198","","10.1039/c3cc43012j","","","1.54178","CuKα","","0.0332","0.0323","","","0.098","0.1037","","","","","","1.001","","","","has coordinates,has disorder","198233","2020-10-21","18:00:00",""
"7109600","27.2258","0.0004","27.2258","0.0004","10.8365","0.0002","90","","90","","120","","6956.34","0.19","90","1","90","1","","","","","","","","4","R 3","R 3","146","S-Thiadianin's, R-Dianin's empty Quasiracemate","","","- C36 H40 O3 S -","- C36 H40 O3 S -","- C324 H360 O27 S9 -","9","","","Christopher S. Frampton; Kamal A. Ketuly; A. Hamid A. Hadi; James H. Gall; David D. MacNicol","Engineering robust polar chiral clathrate crystals","Chem.Commun.","2013","49","","7198","","10.1039/c3cc43012j","","","1.54178","CuKα","","0.0319","0.0298","","","0.0761","0.0777","","","","","","1.006","","","","has coordinates","301853","2025-08-21","21:50:10",""
"7112070","21.0404","0.0011","21.0404","0.0011","10.4652","0.0007","90","","90","","120","","4012.2","0.4","110","0.1","110","0.1","","","","","","","","5","R 3","R 3","146","","","","- C20 H19 F N2 O3 -","- C20 H19 F N2 O3 -","- C180 H171 F9 N18 O27 -","9","","","Thomas J. Williams; Alan J. Reay; Adrian C. Whitwood; Ian J. S. Fairlamb","A mild and selective Pd-mediated methodology for the synthesis of highly fluorescent 2-arylated tryptophans and tryptophan-containing peptides: a catalytic role for Pd0 nanoparticles?","Chem.Commun.","2014","50","","3052","","10.1039/c3cc48481e","","","0.7107","MoKα","","0.0479","0.0424","","","0.0946","0.0995","","","","","","1.036","","","","has coordinates","301857","2025-08-21","22:47:14",""
"7119708","17.7983","0.0007","17.7983","0.0007","32.0239","0.0018","90","","90","","120","","8785.4","0.7","293","2","293","2","","","","","","","","7","R 3","R 3","146","","str1788","","- C84.56 H83.22 Cl12.57 I1.8 N12 O2.95 Ru3 -","- C84.5599 H77.22 Cl12.57 I1.8 N12 O2.95 Ru3 -","- C253.68 H231.66 Cl37.71 I5.4 N36 O8.85 Ru9 -","3","","","Ibáñez, S; Poyatos, M.; Peris, E.","A D3h-symmetry hexaazatriphenylene-tris-N-heterocyclic carbene ligand and its coordination to iridium and gold: preliminary catalytic studies.","Chemical communications (Cambridge, England)","2017","53","26","3733","3736","10.1039/c7cc00525c","","","0.71073","MoKα","","0.0998","0.083","","","0.2163","0.2427","","","","","","1.028","","","","has coordinates","194954","2020-10-21","18:00:00",""
"7120210","19.5452","0.0002","19.5452","0.0002","10.9099","0.0001","90","","90","","120","","3609.37","0.06","173","0.1","173","0.1","","","","","","","","5","R 3","R 3","146","","","","- C17 H13 Cl N4 O -","- C17 H13 Cl N4 O -","- C153 H117 Cl9 N36 O9 -","9","","","Enders, Dieter; Mahajan, Suruchi; Chauhan, Pankaj; Kaya, Uğur; Deckers, Kristina; Rissanen, Kari","Enantioselective synthesis of pyrazolone α-aminonitrile derivatives via an organocatalytic Strecker reaction","Chem. Commun.","2017","","","","","10.1039/C7CC02874A","","","0.71073","MoKα","","0.0308","0.0276","","","0.0671","0.0686","","","","","","1.037","","","","has coordinates","301860","2025-08-22","09:23:27",""
"7123146","23.787","0.003","23.787","0.003","10.19","0.0018","90","","90","","120","","4993.3","1.3","293","2","293","2","","","","","","","","5","R 3","R 3","146","","","","- C24 H20 Br N O6 -","- C24 H20 Br N O6 -","- C216 H180 Br9 N9 O54 -","9","","","Zhu, Shi-Ya; Zhang, Yuanzheng; Chen, Xin-Fa; Huang, Jun; Shi, Shihui; Hui, Xin-Ping","Highly enantioselective synthesis of functionalized azepino[1,2-a]indoles via NHC-catalyzed [3+4] annulation","Chemical Communications","2019","","","","","10.1039/C9CC01444F","","","0.71073","MoKα","","0.1414","0.0635","","","0.1011","0.1415","","","","","","0.859","","","","has coordinates","301860","2025-08-22","09:26:34",""
"7123374","51.949","0.004","51.949","0.004","31.812","0.002","90","","90","","120","","74349","9","120","2","120","","","","","","","","","4","R 3","R 3","146","","","","- Cu17 Ga22 S88 Sn17 -","- Cu17 Ga22 S88 Sn17 -","- Cu153 Ga198 S792 Sn153 -","9","","","Zhang, Jiaxu; Wang, Xiang; Lv, Jing; Li, Dong-Sheng; Wu, Tao","A multivalent mixed-metal strategy for single-Cu±ion-bridged cluster-based chalcogenide open frameworks for sensitive nonenzymatic detection on glucose","Chemical Communications","2019","","","","","10.1039/C9CC02905B","","","0.71073","MoKα","","0.12","0.0852","","","0.2312","0.2741","","","","","","1.012","","","","has coordinates","214862","2020-10-21","18:00:00",""
"7221983","18.816","0.004","18.816","0.004","21.441","0.005","90","","90","","120","","6574","3","104","","104","","","","","","","","","6","R 3","R 3","146","","","","- C57 H60 N6 O55 S3 Zn9 -","- C57 H60 N6 O55 S3 Zn9 -","- C171 H180 N18 O165 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0394","0.0383","","","0.1085","0.109","","","","","","1.071","","","","has coordinates,has disorder","173745","2020-10-21","18:00:00",""
"7221984","18.798","0.019","18.798","","21.57","0.02","90","","90","","120","","6601","9","298","","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H54 N6 O51.2 S3 Zn9 -","- C57 H54 N6 O52.21 S3 Zn9 -","- C171 H162 N18 O156.63 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0608","0.0519","","","0.1465","0.1524","","","","","","1.081","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221985","18.795","0.018","18.795","","21.47","0.02","90","","90","","120","","6568","9","323","","323","","","","","","","","","6","R 3","R 3","146","","","","- C57 H54 N6 O48.96 S3 Zn9 -","- C57 H54 N6 O48.96 S3 Zn9 -","- C171 H162 N18 O146.88 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0539","0.0482","","","0.1347","0.1372","","","","","","1.066","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221986","18.889","0.019","18.889","0.019","21.67","0.02","90","","90","","120","","6696","11","373","","373","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O42 S3 Zn9 -","- C57 H42 N6 O42 S3 Zn9 -","- C171 H126 N18 O126 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0635","0.0508","","","0.1377","0.1473","","","","","","1.024","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221987","18.723","0.005","18.723","0.005","21.353","0.006","90","","90","","120","","6482","3","298","","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O42 S3 Zn9 -","- C57 H42 N6 O42 S3 Zn9 -","- C171 H126 N18 O126 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.088","0.0556","","","0.1379","0.159","","","","","","0.911","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221988","18.815","0.005","18.815","0.005","21.425","0.006","90","","90","","120","","6568","3","298","2","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O50.95 S3 Zn9 -","- C57 H42 N6 O50.952 S3 Zn9 -","- C171 H126 N18 O152.856 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0738","0.061","","","0.1578","0.1654","","","","","","1.099","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7223982","20.186","0.001","20.186","0.001","20.2891","0.0008","90","","90","","120","","7159.7","0.6","150","2","150.15","","","","","","","","","5","R 3","R 3","146","","","","- C72 H43 Co3 N6 O13 -","- C72 H43 Co3 N6 O13 -","- C216 H129 Co9 N18 O39 -","3","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.0535","0.0502","","","0.1258","0.1282","","","","","","1.059","","","","has coordinates","185174","2020-10-21","18:00:00",""
"7224986","10.0316","0.0014","10.0316","0.0014","17.575","0.004","90","","90","","120","","1531.7","0.5","122.1","0.1","122.1","0.1","","","","","","","","5","R 3","R 3","146","","","","- C12 H14 N12 O4 Zn2 -","- C12 H13.98 N12 O4 Zn2 -","- C36 H41.94 N36 O12 Zn6 -","3","","","Cao, Chun-Shuai; Hu, Huan-Cheng; Xu, Hang; Qiao, Wan-Zhen; Zhao, Bin","Two solvent-stable MOFs as a recyclable luminescent probe for detecting dichromate or chromate anions","CrystEngComm","2016","18","23","4445","","10.1039/C5CE02568K","","","0.71073","MoKα","","0.0807","0.0643","","","0.1534","0.1684","","","","","","1.046","","","","has coordinates","185285","2020-10-21","18:00:00",""
"7225333","15.1064","0.0003","15.1064","0.0003","12.4344","0.0005","90","","90","","120","","2457.41","0.12","298","2","298","2","","","","","","","","5","R 3","R 3","146","","","","- C27 H36 Br3 F7 N4 -","- C27 H36 Br3 F7 N4 -","- C81 H108 Br9 F21 N12 -","3","","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.0937","0.0514","","","0.1164","0.1319","","","","","","0.891","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7226992","39.546","0.004","39.546","0.004","5.9306","0.0008","90","","90","","120","","8032.2","1.6","120","2","120","2","","","","","","","","5","R 3","R 3","146","","","","- C19 H18 N2 O2 S2 -","- C19 H18 N2 O2 S2 -","- C342 H324 N36 O36 S36 -","18","","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.1233","0.0837","","","0.2238","0.2655","","","","","","1.008","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""