# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:48:13+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n -3 n :2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1001073","10.99","0.01","10.99","0.01","10.99","0.01","90","","90","","90","","1327.4","","","","","","","","","","","","","3","P n -3 n :2","-P 4a 2bc 3","222","","Pentaneodymium 16-oxotrimolybdate","","- Mo3 Nd5 O16 -","- Mo3 Nd5 O16 -","- Mo12 Nd20 O64 -","4","0.0833333","","Hubert, P H; Michel, P; Thozet, A","Structure du molybdite de neodyme Nd~5~ Mo~3~ O~16~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1973","276","","1779","1781","","","","","","","0.15","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008194","10.688","0.002","10.688","0.002","10.688","0.002","90","","90","","90","","1220.9","","","","","","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","Cadmium tetrayttrium trimolybdenum oxide","","- Cd Mo3 O16 Y4 -","- Cd Mo3 O16 Y4 -","- Cd4 Mo12 O64 Y16 -","4","0.0833333","","Bourdet, J B; Chevalier, R; Fournier, J P; Kohlmuller, R; Omaly, J","A structural study of cadmium yttrium molybdate Cd Y~4~ Mo~3~ O~16~","Acta Crystallographica B (24,1968-38,1982)","1982","38","","2371","2374","10.1107/S0567740882008826","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1531935","16.256","","16.256","","16.256","","90","","90","","90","","4295.77","","","","","","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","Zn (C4 O4) (H2 O)2","","- C4 H4 O6 Zn -","- C4 O6 Zn -","- C96 O144 Zn24 -","24","0.5","","Neeraj, S.; Noy, M.L.; Rao, C.N.R.; Cheetham, A.K.","Sodalite networks formed by metal squarates","Solid State Sciences","2002","4","","1231","1236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1548271","30.8314","0.0016","30.8314","0.0016","30.8314","0.0016","90","","90","","90","","29308","3","295","2","300","2","","","","","","","","8","P n -3 n :2","-P 4a 2bc 3","222","","","","- C450 H492 B24 F18 Fe42 N240 O60 S6 -","- C450.012 H408 B24 F18 Fe42 N240 O59.904 S6 -","- C900.024 H816 B48 F36 Fe84 N480 O119.808 S12 -","2","0.0416667","","Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato","A ferromagnetically coupled Fe42 cyanide-bridged nanocage","Nature Communications","2015","6","","5955","","10.1038/ncomms6955","","","0.6202","synchrotron","","0.1243","0.0722","","","0.2085","0.2391","","","","","","1.034","","","","has coordinates,has disorder","295947","2024-11-15","22:25:06",""
"1548272","30.7679","0.0013","30.7679","0.0013","30.7679","0.0013","90","","90","","90","","29127","2","100","2","100","2","","","","","","","","8","P n -3 n :2","-P 4a 2bc 3","222","","","","- C450 H548 B24 F18 Fe42 N240 O88 S6 -","- C450 H408 B24 F18 Fe42 N240 O88.024 S6 -","- C900 H816 B48 F36 Fe84 N480 O176.048 S12 -","2","0.0416667","","Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato","A ferromagnetically coupled Fe42 cyanide-bridged nanocage","Nature Communications","2015","6","","5955","","10.1038/ncomms6955","","","0.6186","synchrotron","","0.0951","0.0848","","","0.2058","0.2121","","","","","","1.149","","","","has coordinates,has disorder","203705","2020-10-21","18:00:00",""
"1551824","46.241","0.002","46.241","0.002","46.241","0.002","90","","90","","90","","98874","7","150","2","150","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","diaquodinitrotetra{tris[3-(3-pyridyl)benzoyl]cyclotriguaiacylene} tetrapalladium(II) nitrate dimethylsulfoxide solvate","","- C252 H220 N20 O68 Pd4 S6 -","- C252 H216 N14 O50 Pd4 S6 -","- C3024 H2592 N168 O600 Pd48 S72 -","12","0.25","","Tanya K. Ronson; Julie Fisher; Lindsay P. Harding; Pierre J. Rizkallah; John E. Warren; Michaele J. Hardie","Stellated polyhedral assembly of a topologically complicated Pd4L4 'Solomon cube'","Nature Chemistry","2009","1","","212","216","10.1038/nchem.213","","","0.6939","synchrotron","","0.1331","0.1189","","","0.2772","0.2839","","","","","","1.92","","","","has coordinates,has disorder","216445","2020-10-21","18:00:00",""
"2101645","16.255","0.003","16.255","0.003","16.255","0.003","90","","90","","90","","4295","1.4","298","","298","","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","","","- C4 H4.67 Co O6.33 -","- C4 H4.6666 Co O6.33335 -","- C96 H111.998 Co24 O152 -","24","0.5","OA0002","Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu","Structural relationship of various squarates","Acta Crystallographica Section B","1996","52","6","966","975","10.1107/S0108768196009639","","","0.7107","MoKα","","0.336","0.055","","0.054","0.051","","","","","4.68","4.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2201298","16.3606","0.0009","16.3606","0.0009","16.3606","0.0009","90","","90","","90","","4379.2","0.4","293","2","293","2","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","Poly[diaqua(μ~4~-squarato-O,O',O'',O''')iron(II)]","","","- C4 H4 Fe O6 -","- C4 H4 Fe O6 -","- C96 H96 Fe24 O144 -","24","0.5","BT6187","Näther, Christian; Greve, Jan; Jeß, Inke","Poly[diaqua(μ~4~-squarato-<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''')iron(II)]","Acta Crystallographica Section E","2002","58","10","m507","m509","10.1107/S1600536802015647","","","0.71073","MoKα","","0.0449","0.0399","","","0.172","0.1776","","","","","","1.184","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201302","16.5527","0.0008","16.5527","0.0008","16.5527","0.0008","90","","90","","90","","4535.3","0.4","293","2","293","2","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","Poly[[diaqua(μ~4~-squarato-O,O',O'',O''')manganese(II)] 0.93-hydrate]","Poly[[diaqua(μ~4~-squarato-O,O',O'',O''')manganese(II)] 0.93-hydrate]","","- C4 H5.86 Mn O6.93 -","- C4 H4 Mn O6.93 -","- C96 H96 Mn24 O166.32 -","24","0.5","BT6191","Greve, Jan; Näther, Christian","Poly[[diaqua(μ~4~-squarato-<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''')manganese(II)] 0.93-hydrate]","Acta Crystallographica Section E","2002","58","11","m625","m627","10.1107/S1600536802018329","","","0.71073","MoKα","","0.0396","0.037","","","0.1109","0.1125","","","","","","1.179","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2201316","16.1467","0.0008","16.1467","0.0008","16.1467","0.0008","90","","90","","90","","4209.7","0.4","293","2","293","2","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","Poly[[diaqua(μ~4~-squarato-O,O',O'',O''')nickel(II)] 0.71-hydrate]","Poly[[diaqua(μ~4~-squarato-O,O',O'',O''')nickel(II)] 0.71-hydrate]","","- C4 H4 Ni O6.71 -","- C4 H4 Ni O6.708 -","- C96 H96 Ni24 O160.992 -","24","0.5","BT6205","Greve, Jan; Näther, Christian","Poly[[diaqua(μ~4~-squarato-<i>O,O</i>',<i>O</i>'',<i>O</i>''')nickel(II)] 0.71-hydrate]","Acta Crystallographica Section E","2002","58","11","m653","m655","10.1107/S1600536802018895","","","0.71073","MoKα","","0.0387","0.0244","","","0.0692","0.0766","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"4101116","28.2132","0.0016","28.2132","0.0016","28.2132","0.0016","90","","90","","90","","22457","2","293","2","293","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C96 H72 Cl1.5 N27 O33 Pd3 -","- C96 H72 Cl1.5 N26.976 O21 Pd3 -","- C384 H288 Cl6 N107.904 O84 Pd12 -","4","0.0833333","","Moon, Dohyun; Kang, Sangmi; Park, Jaejoon; Lee, Kyungjai; John, Rohith P.; Won, Hosik; Seong, Ki Hoon; Kim, Yang Sun; Kim, Ghyung Hwa; Rhee, Hakjune; Lah, Myoung Soo","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060051h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4116001","24.7269","0.0014","24.7269","0.0014","24.7269","0.0014","90","","90","","90","","15118.5","1.5","293","2","293","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","C168 H144 Cl12 N48 Ni6 S12 24DMF 13H2O","","","- C240 H338 Cl12 N72 Ni6 O37 S24 -","- C206.4 H144 Cl12 N68 Ni6 O12.52 S24 -","- C412.8 H288 Cl24 N136 Ni12 O25.04 S48 -","2","0.0416667","","Maochun Hong; Yingjun Zhao; Weiping Su; Rong Cao; Makoto Fujita; Zhongyuan Zhou; Albert S. C. Chan","A Nanometer-Sized Metallosupramolecular Cube with Oh Symmetry","Journal of the American Chemical Society","2000","122","","4819","4820","10.1021/ja000247w","","","0.71073","MoKα","","0.1633","0.0778","","","0.1941","0.2932","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4124562","29.2095","0.0007","29.2095","0.0007","29.2095","0.0007","90","","90","","90","","24921.4","1","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C12 H6 N3 O7 Tb -","- C12 H6 N3 O7 Tb -","- C576 H288 N144 O336 Tb48 -","48","1","","Zhang, Shi-Yuan; Shi, Wei; Cheng, Peng; Zaworotko, Michael J.","A Mixed-Crystal Lanthanide Zeolite-like Metal-Organic Framework as a Fluorescent Indicator for Lysophosphatidic Acid, a Cancer Biomarker.","Journal of the American Chemical Society","2015","137","38","12203","12206","10.1021/jacs.5b06929","","","0.71073","MoKα","","0.1397","0.0737","","","0.1765","0.1987","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4133028","39.258","0.005","39.258","0.005","39.258","0.005","90","","90","","90","","60504","13","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C600 H660 N54 O24 Zn6 -","- C600.096 H320.16 N54 O24 Zn6 -","- C1200.19 H640.32 N108 O48 Zn12 -","2","0.0416667","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.9","synchrotron","","0.148","0.1302","","","0.3819","0.4051","","","","","","1.579","","","","has coordinates,has disorder","242881","2020-10-21","18:00:00",""
"4133030","38.945","0.005","38.945","0.005","38.945","0.005","90","","90","","90","","59068","13","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C588 H654 N54 O24 Zn6 -","- C575.904 H216 N54 O24 Zn6 -","- C1151.81 H432 N108 O48 Zn12 -","2","0.0416667","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.8","synchrotron","","0.1419","0.1291","","","0.3872","0.4072","","","","","","1.708","","","","has coordinates,has disorder","242883","2020-10-21","18:00:00",""
"4133031","39.074","0.005","39.074","0.005","39.074","0.005","90","","90","","90","","59657","13","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C606 H672 N54 O30 Zn6 -","- C606 H216 N54 O30 Zn6 -","- C1212 H432 N108 O60 Zn12 -","2","0.0416667","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.9","synchrotron","","0.151","0.139","","","0.3894","0.4095","","","","","","1.779","","","","has coordinates,has disorder","242884","2020-10-21","18:00:00",""
"4313731","21.5984","0.0005","21.5984","0.0005","21.5984","0.0005","90","","90","","90","","10075.5","0.4","213","2","213","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","Ni3(depa)4(CH3CN)2(PF6)2 0.33H2O","","","- C60 H70.67 F12 N14 Ni3 O0.33 P2 -","- C60 H64 F12 N14 Ni3 O0.333333 P2 -","- C360 H384 F72 N84 Ni18 O2 P12 -","6","0.125","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang","Enhancing the Stability of Trinickel Molecular Wires and Switches: Ni36+/Ni37+","Inorganic Chemistry","2003","42","","3595","3601","10.1021/ic0341486","","","0.71073","MoKα","","0.0729","0.0508","","","0.1319","0.1639","","","","","","1.082","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4316487","25.26","0.004","25.26","0.004","25.26","0.004","90","","90","","90","","16118","4","160","2","160","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C12 H60 Cu40 N12 S60 Sn15 -","- C12 H60 Cu40 N12 S60 Sn15 -","- C48 H240 Cu160 N48 S240 Sn60 -","4","0.0833333","","Malte Behrens; Marie-Eve Ordolff; Christian Näther; Wolfgang Bensch; Klaus-Dieter Becker; Catherine Guillot-Deudon; Alain Lafond; Jason A. Cody","New Three-Dimensional Thiostannates Composed of Linked Cu8S12 Clusters and the First Example of a Mixed-Metal Cu7SnS12 Cluster","Inorganic Chemistry","2010","49","","8305","8309","10.1021/ic100688z","","","0.71073","MoKα","","0.066","0.0364","","","0.0794","0.0953","","","","","","1.169","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4319047","33.5054","0.0008","33.5054","0.0008","33.5054","0.0008","90","","90","","90","","37613.6","1.6","180","","180","","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C169 H177 Cl3 Er9 N O44 -","- C185.333 H152 Er9 O42 -","- C1112 H912 Er54 O252 -","6","0.125","","Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan","Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes","Inorganic Chemistry","2002","41","","6802","6807","10.1021/ic025929u","","","0.71073","MoKα","","0.0773","0.0486","","","0.1122","0.1238","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319048","33.8652","0.0004","33.8652","0.0004","33.8652","0.0004","90","","90","","90","","38838.4","0.8","180","","180","","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C169 H177 Cl3 N O44 Sm9 -","- C194 H152 O42 Sm9 -","- C1164 H912 O252 Sm54 -","6","0.125","","Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan","Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes","Inorganic Chemistry","2002","41","","6802","6807","10.1021/ic025929u","","","0.71073","MoKα","","0.0506","0.0337","","","0.0913","0.1067","","","","","","1.261","","","","has coordinates","179270","2020-10-21","18:00:00",""
"4319049","33.8252","0.0008","33.8252","0.0008","33.8252","0.0008","90","","90","","90","","38700.9","1.6","180","","180","","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C169 H177 Cl3 Eu9 N O44 -","- C186.667 H152 Eu9 O42 -","- C1120 H912 Eu54 O252 -","6","0.125","","Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan","Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes","Inorganic Chemistry","2002","41","","6802","6807","10.1021/ic025929u","","","0.71073","MoKα","","0.081","0.0497","","","0.1178","0.13","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319050","33.7061","0.0006","33.7061","0.0006","33.7061","0.0006","90","","90","","90","","38293.5","1.2","180","","180","","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C169 H177 Cl3 Gd9 N O44 -","- C181.333 H152 Gd9 O44.6667 -","- C1088 H912 Gd54 O268 -","6","0.125","","Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan","Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes","Inorganic Chemistry","2002","41","","6802","6807","10.1021/ic025929u","","","0.71073","MoKα","","0.0745","0.0513","","","0.1293","0.1394","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319051","33.59","0.0007","33.59","0.0007","33.59","0.0007","90","","90","","90","","37899.2","1.4","180","","180","","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C169 H177 Cl3 Dy9 N O44 -","- C195.333 H152 Dy9 O42 -","- C1172 H912 Dy54 O252 -","6","0.125","","Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan","Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes","Inorganic Chemistry","2002","41","","6802","6807","10.1021/ic025929u","","","0.71073","MoKα","","0.0642","0.0403","","","0.0988","0.1095","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329447","22.788","0.004","22.788","0.004","22.788","0.004","90","","90","","90","","11834","4","100","2","100","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C30 H61 Cu8 F6 N6 P S12 -","- C30 H61 Cu8 F6 N6 P1.01 S12 -","- C240 H488 Cu64 F48 N48 P8.08 S96 -","8","0.166667","","Ping-Kuei Liao; Ching-Shiang Fang; Alison J. Edwards; Samia Kahlal; Jean-Yves Saillard; C. W. Liu","Hydrido Copper Clusters Supported by Dithiocarbamates: Oxidative Hydride Removal and Neutron Diffraction Analysis of [Cu7(H){S2C(aza-15-crown-5)}6]","Inorganic Chemistry","2012","51","","6577","6591","10.1021/ic300135w","","","0.71073","MoKα","","0.0662","0.0512","","","0.1592","0.1746","","","","","","1.117","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4336328","32.99","0.002","32.99","0.002","32.99","0.002","90","","90","","90","","35904","4","293","2","293","2","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","","","- C40.5 H25.5 Cu1.5 O7.5 -","- C39 H21 Cu1.5 O7.5 -","- C624 H336 Cu24 O120 -","16","0.333333","","Yabing He; Zhiyong Guo; Shengchang Xiang; Zhangjing Zhang; Wei Zhou; Frank R. Fronczek; Sean Parkin; Stephen T. Hyde; Michael O'Keeffe; Banglin Chen","Metastable Interwoven Mesoporous Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","11580","11584","10.1021/ic401870e","","","0.71073","MoKα","","0.1737","0.0805","","","0.2385","0.2846","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336329","33.5118","0.0018","33.5118","0.0018","33.5118","0.0018","90","","90","","90","","37635","4","243","2","243","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C156 H84 Mn6 N0 O30 -","- C156 H84 Mn6 O30 -","- C624 H336 Mn24 O120 -","4","0.0833333","","Yabing He; Zhiyong Guo; Shengchang Xiang; Zhangjing Zhang; Wei Zhou; Frank R. Fronczek; Sean Parkin; Stephen T. Hyde; Michael O'Keeffe; Banglin Chen","Metastable Interwoven Mesoporous Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","11580","11584","10.1021/ic401870e","","","0.71073","MoKα","","0.1184","0.0704","","","0.1773","0.1926","","","","","","1.073","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336330","32.8643","0.0015","32.8643","0.0015","32.8643","0.0015","90","","90","","90","","35495","3","90","2","90","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C26 H14 N0 O5 Zn -","- C26 H14 O5 Zn -","- C624 H336 O120 Zn24 -","24","0.5","","Yabing He; Zhiyong Guo; Shengchang Xiang; Zhangjing Zhang; Wei Zhou; Frank R. Fronczek; Sean Parkin; Stephen T. Hyde; Michael O'Keeffe; Banglin Chen","Metastable Interwoven Mesoporous Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","11580","11584","10.1021/ic401870e","","","1.54178","CuKα","","0.0754","0.0654","","","0.2442","0.2584","","","","","","1.069","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4349799","16.2912","0.0019","16.2912","0.0019","16.2912","0.0019","90","","90","","90","","4323.7","0.9","293","2","293","2","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","","","- C4 H4 Mg O6 -","- C4 H4 Mg O6 -","- C96 H96 Mg24 O144 -","24","0.5","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0954","0.0756","","","0.2319","0.2527","","","","","","1.135","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4504950","32.066","0.0003","32.066","0.0003","32.066","0.0003","90","","90","","90","","32971.2","0.5","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","Cu_cube","","","- C480 H408 Cu6 N48 O192.08 -","- C480 H408 Cu6 N48 O192 -","- C960 H816 Cu12 N96 O384 -","2","0.0416667","","Natarajan, Ramalingam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Self-Assembly of a Unique Extended-Tetrahedral 3,3‘,5,5‘-Tetrakis(4-pyridyl)bimesityl Ligand into Discrete Supramolecular Cubes by Face-Directed Metal Coordination","Crystal Growth & Design","2005","5","1","69","","10.1021/cg049683a","","","0.71073","MoKα","","0.1844","0.1472","","","0.394","0.4173","","","","","","1.394","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504951","32.2839","0.001","32.2839","0.001","32.2839","0.001","90","","90","","90","","33647.9","1.8","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","Ni_cube","","","- C456 H408 N48 Ni6 O12 -","- C456 H408 N48 Ni6 O12 -","- C912 H816 N96 Ni12 O24 -","2","0.0416667","","Natarajan, Ramalingam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Self-Assembly of a Unique Extended-Tetrahedral 3,3‘,5,5‘-Tetrakis(4-pyridyl)bimesityl Ligand into Discrete Supramolecular Cubes by Face-Directed Metal Coordination","Crystal Growth & Design","2005","5","1","69","","10.1021/cg049683a","","","0.71073","MoKα","","0.144","0.0622","","","0.1191","0.1301","","","","","","0.682","","","","has coordinates","179584","2020-10-21","18:00:00",""
"7019815","22.28","0.003","22.28","0.003","22.28","0.003","90","","90","","90","","11060","3","120","2","120","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C36 H30 Fe2 N12 Na O12 -","- C36 H30 Fe2 N12 Na O12 -","- C288 H240 Fe16 N96 Na8 O96 -","8","0.166667","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Boyko, Aleksander N.; Haukka, Matti; Fritsky, Igor O.","Encapsulation of a guest sodium cation by iron(iii) tris-(hydroxamate)s.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9427","9430","10.1039/c2dt30669g","","","0.71073","MoKα","","0.0965","0.0771","","","0.2107","0.2208","","","","","","1.159","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7021755","16.6403","0.0007","16.6403","0.0007","16.6403","0.0007","90","","90","","90","","4607.7","0.3","173","","173","","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C22 H31.34 Cu N4 O8.67 S2 -","- C22 H20 Cu N4 O8.66693 S2 -","- C132 H120 Cu6 N24 O52.0016 S12 -","6","0.125","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","","0.0555","","","","0.1979","","","","","","1.12","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7032113","28.3335","0.0002","28.3335","0.0002","28.3335","0.0002","90","","90","","90","","22745.8","0.3","174","2","174","2","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","","","- C78 H92 O19 Sr -","- C78 H90 O18 Sr -","- C624 H720 O144 Sr8 -","8","0.166667","","Adhikari, Birendra Babu; Zhao, Xiang; Derakhshan, Shahab; Schramm, Michael P.","p-tert-Butylcalix[6]arene hexacarboxylic acid as host for Pb(ii), Sr(ii) and Ba(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15560","15565","10.1039/c4dt02182g","","","0.71073","MoKα","","0.0714","0.0517","","","0.1309","0.142","","","","","","1.127","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7102090","18.9056","0.0017","18.9056","0.0017","18.9056","0.0017","90","","90","","90","","6757.3","1.1","93","2","93","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C66 H246 Al38 Mg10 N10 O238 P48 -","- C48 Al48 N8 O196 P48 -","- C48 Al48 N8 O196 P48 -","1","0.0208333","","Castro, Maria; Garcia, Raquel; Warrender, Stewart J; Slawin, Alexandra M Z; Wright, Paul A; Cox, Paul A; Fecant, Antoine; Mellot-Draznieks, Caroline; Bats, Nicolas","Co-templating and modelling in the rational synthesis of zeolitic solids.","Chemical communications (Cambridge, England)","2007","","33","3470","3472","10.1039/b705377k","","","0.71073","MoKα","","0.1386","0.132","","","0.2986","0.303","","","","","","1.288","","","","has coordinates","180122","2020-10-21","18:00:00",""
"7102990","16.4943","0.0014","16.4943","0.0014","16.4943","0.0014","90","","90","","90","","4487.5","0.7","93","2","93","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C68 H108 Cu3 F30 N20 O6 V7 -","- C68 H108 Cu3 F30 N20 O6 V7 -","- C136 H216 Cu6 F60 N40 O12 V14 -","2","0.0416667","","Mahenthirarajah, Thushitha; Lightfoot, Philip","A new hybrid framework based on a 'superoctahedral' [V7O6F30](14-) polyanion.","Chemical communications (Cambridge, England)","2008","","12","1401","1403","10.1039/b718417d","","","0.71073","MoKα","","0.0359","0.034","","","0.0988","0.1008","","","","","","1.183","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7108016","21.9332","0.0002","21.9332","0.0002","21.9332","0.0002","90","","90","","90","","10551.3","0.17","296","2","296","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C36 H46.88 Cd2 N6 Na O25.94 S6 -","- C36 H42 Cd2 N6 Na O25.95 S6 -","- C288 H336 Cd16 N48 Na8 O207.6 S48 -","8","0.166667","","Chun-Sen Liu; Xiao-Gang Yang; Min Hu; Miao Du; Shao-Ming Fang","A structural paradigm for 3-periodic semiregular (46.69)-hxg net with high-symmetry hexagonal geometry, constructed from the linear [Cd2NaO6(H2O)6] SBUs and a flexible 6,6'-dithiodinicotinate linker","Chem.Commun.","2012","48","","7459","","10.1039/c2cc31905e","","","0.71073","MoKα","","0.0539","0.0394","","","0.1206","0.1251","","","","","","1.01","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7111573","25.4484","0.0004","25.4484","0.0004","25.4484","0.0004","90","","90","","90","","16480.9","0.4","293","2","293","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C24 Cu80 N24 S120 Sn30 -","- C24 Cu80 N24 S120 Sn30 -","- C48 Cu160 N48 S240 Sn60 -","2","0.0416667","","Zhang, Ren-Chun; Yao, Hua-Gang; Ji, Shou-Hua; Liu, Mei-Chen; Ji, Min; An, Yong-Lin","(H2en)2Cu8Sn3S12: a trigonal CuS3-based open-framework sulfide with interesting ion-exchange properties","Chemical Communications","2010","46","25","4550","4552","10.1039/b924581b","","","0.71073","MoKα","","0.0566","0.0319","","","0.0766","0.0834","","","","","","0.994","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111574","25.3455","0.0015","25.3455","0.0015","25.3455","0.0015","90","","90","","90","","16281.8","1.7","293","2","293","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C24 Cs5.64 Cu80 N24 S120 Sn30 -","- C24 Cs5.64 Cu80 N24 S120 Sn30 -","- C48 Cs11.28 Cu160 N48 S240 Sn60 -","2","0.0416667","","Zhang, Ren-Chun; Yao, Hua-Gang; Ji, Shou-Hua; Liu, Mei-Chen; Ji, Min; An, Yong-Lin","(H2en)2Cu8Sn3S12: a trigonal CuS3-based open-framework sulfide with interesting ion-exchange properties","Chemical Communications","2010","46","25","4550","4552","10.1039/b924581b","","","0.71073","MoKα","","0.0573","0.0438","","","0.1798","0.1934","","","","","","0.996","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7114383","25.2469","0.0003","25.2469","0.0003","25.2469","0.0003","90","","90","","90","","16092.5","0.3","293","2","293","2","","","","","","","synthesis as described","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C1.6 H4 N0.8 O8.3 S2.2 Sc0.93 -","- C1.6 H5.6 N0.8 O8.1 S2 Sc0.933333 -","- C96 H336 N48 O486 S120 Sc56 -","60","1.25","","Bull, Ivor; Wheatley, Paul S.; Lightfoot, Philip; Morris, Russell E.; Sastre, Enrique; Wright, Paul A.","Synthesis and crystal structure of the first scandium-containing open framework solidElectronic supplementary information (ESI) available: crystallographic tables, TGA and TG-MS, le Bail plot and Rietveld fit. See http://www.rsc.org/suppdata/cc/b2/b202500k/","Chemical Communications","2002","","11","1180","","10.1039/b202500k","","x-ray","0.71073","MoKα","","0.1816","0.1225","","","0.3397","0.3897","","","","","","1.364","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7119037","26.6801","0.0003","26.6801","0.0003","26.6801","0.0003","90","","90","","90","","18991.6","0.4","173","2","173","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C240 H240 F39 Mn8 N84 P6.5 -","- C240 H240 F39 Mn8 N84 P6.5 -","- C480 H480 F78 Mn16 N168 P13 -","2","0.0416667","","Jing Yang; Xiao-Yong Chang; Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong; Chi-Ming Che","M8L12 cubic cages with all facial delta or facial lamda configuration: effects of surface anions on the occupancy of the cage and anion exchange","Chem.Commun.","2016","52","","5981","","","","","1.54178","CuKα","","0.1684","0.1287","","","0.3681","0.3942","","","","","","1.325","","","","has coordinates","183981","2020-10-21","18:00:00",""
"7125610","28.3035","0.0007","28.3035","0.0007","28.3035","0.0007","90","","90","","90","","22673.6","1","150","2","150","2","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","","","- C78 H96 O18 Pb -","- C78 H96 O18 Pb -","- C624 H768 O144 Pb8 -","8","0.166667","","Adhikari, Birendra Babu; Ohto, Keisuke; Schramm, Michael P.","p-tert-Butylcalix[6]arene hexacarboxylic acid conformational switching and octahedral coordination with Pb(II) and Sr(II).","Chemical communications (Cambridge, England)","2014","50","15","1903","1905","10.1039/c3cc48465c","","","0.71073","MoKα","","0.0678","0.0424","","","0.1243","0.1378","","","","","","1.08","","","","has coordinates","244392","2020-10-21","18:00:00",""
"7128148","43.7163","0.0005","43.7163","0.0005","43.7163","0.0005","90","","90","","90","","83546.9","1.7","175","2","175","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C24 H96 Cu6 N24 Nb68 O204 -","- C24 H96 Cu6 N24 Nb68 O204 -","- C192 H768 Cu48 N192 Nb544 O1632 -","8","0.166667","","Lin, Yu-Diao; Zhu, Zeng-Kui; Ge, Rui; Yu, Hao; Li, Zhong; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Proton conductive polyoxoniobate frameworks constructed from nanoscale {Nb<sub>68</sub>O<sub>200</sub>} cages.","Chemical communications (Cambridge, England)","2021","57","38","4702","4705","10.1039/d1cc00388g","","","0.71073","MoKα","","0.0959","0.0721","","","0.1601","0.1719","","","","","","1.059","","","","has coordinates","265904","2021-06-05","17:34:02",""
"7133746","37.7457","0.0003","37.7457","0.0003","37.7457","0.0003","90","","90","","90","","53777.7","0.7","298","","298","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbpm-Co]","bis((2,3,9,10,16,17,23,24-octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyrimidine unknown solvate","","- C264 H286 Co2 N20 O16 -","- C264 H284 Co2 N20 O16 -","- C1584 H1704 Co12 N120 O96 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma; Allan, David Robert; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand Effects on Gas Adsorption in Nanoporous Phthalocyanine Crystals","Chemical Communications","2024","","","","","10.1039/D4CC03896G","","","0.6889","synchrotron","","0.1655","0.1283","","","0.3295","0.359","","","","","","1.278","","","","has coordinates,has disorder","294821","2024-09-20","21:59:41",""
"7133747","37.9111","0.0002","37.9111","0.0002","37.9111","0.0002","90","","90","","90","","54487.8","0.5","180","","180","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbpm-Co-cCO]","bis(carbonyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyrimidine unknown solvate","","- C264.62 H286 Co2 N20 O16.62 -","- C264.62 H286.997 Co2 N20 O16.62 -","- C1587.72 H1721.98 Co12 N120 O99.72 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma; Allan, David Robert; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand Effects on Gas Adsorption in Nanoporous Phthalocyanine Crystals","Chemical Communications","2024","","","","","10.1039/D4CC03896G","","","0.6889","synchrotron","","0.1312","0.1037","","","0.3374","0.3639","","","","","","1.454","","","","has coordinates,has disorder","294821","2024-09-20","21:59:44",""
"7133748","37.8873","0.0002","37.8873","0.0002","37.8873","0.0002","90","","90","","90","","54385.2","0.5","180","","180","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbpm-Co-cCO]","bis(carbonyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyrimidine unknown solvate","","- C264.62 H286 Co2 N20 O16.62 -","- C264.62 H286.995 Co2 N20 O16.62 -","- C1587.72 H1721.97 Co12 N120 O99.72 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma; Allan, David Robert; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand Effects on Gas Adsorption in Nanoporous Phthalocyanine Crystals","Chemical Communications","2024","","","","","10.1039/D4CC03896G","","","0.6889","synchrotron","","0.1343","0.1053","","","0.3316","0.357","","","","","","1.4","","","","has coordinates,has disorder","294821","2024-09-20","21:59:44",""
"7133749","37.7086","0.0003","37.7086","0.0003","37.7086","0.0003","90","","90","","90","","53619.3","0.7","298","","298","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbipy-Co]","bis((2,3,9,10,16,17,23,24-octakis(2',6'- di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyridine unknown solvate","","- C264 H286 Co2 N20 O16 -","- C264 H274.015 Co2 N20 O16 -","- C1584 H1644.09 Co12 N120 O96 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma; Allan, David Robert; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand Effects on Gas Adsorption in Nanoporous Phthalocyanine Crystals","Chemical Communications","2024","","","","","10.1039/D4CC03896G","","","0.6889","synchrotron","","0.1233","0.0864","","","0.2651","0.2927","","","","","","1.007","","","","has coordinates,has disorder","294821","2024-09-20","21:59:44",""
"7133750","37.8156","0.0002","37.8156","0.0002","37.8156","0.0002","90","","90","","90","","54077","0.5","298","","298","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbipy-Co]","'bis((2,3,9,10,16,17,23,24-octakis(2',6'- di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyridine unknown solvate","","- C266 H288 Co2 N18 O16 -","- C266 H292.016 Co2 N18 O16 -","- C1596 H1752.1 Co12 N108 O96 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma; Allan, David Robert; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand Effects on Gas Adsorption in Nanoporous Phthalocyanine Crystals","Chemical Communications","2024","","","","","10.1039/D4CC03896G","","","0.6889","synchrotron","","0.1316","0.093","","","0.2788","0.3121","","","","","","1.101","","","","has coordinates,has disorder","294821","2024-09-20","21:59:44",""
"7133751","37.673","0.0005","37.673","0.0005","37.673","0.0005","90","","90","","90","","53467.6","1.2","298","","298","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbpm-Co-cNO]","bis(nitrosyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyrimidine unknown solvate","","- C264 H286 Co2 N22 O18 -","- C264 H288 Co2 N22 O18 -","- C1584 H1728 Co12 N132 O108 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma; Allan, David Robert; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand Effects on Gas Adsorption in Nanoporous Phthalocyanine Crystals","Chemical Communications","2024","","","","","10.1039/D4CC03896G","","","0.6889","synchrotron","","0.1769","0.122","","","0.3273","0.3693","","","","","","1.218","","","","has coordinates,has disorder","294821","2024-09-20","21:59:44",""
"7133752","37.9112","0.0002","37.9112","0.0002","37.9112","0.0002","90","","90","","90","","54488.2","0.5","180","","180","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbpm-Co-cNO]","bis(nitrosyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyrimidine unknown solvate","","- C264 H286 Co2 N22 O18 -","- C264 H288 Co2 N22 O18 -","- C1584 H1728 Co12 N132 O108 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma; Allan, David Robert; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand Effects on Gas Adsorption in Nanoporous Phthalocyanine Crystals","Chemical Communications","2024","","","","","10.1039/D4CC03896G","","","0.6889","synchrotron","","0.129","0.1005","","","0.3206","0.3487","","","","","","1.391","","","","has coordinates,has disorder","294821","2024-09-20","21:59:44",""
"7133753","37.9438","0.0002","37.9438","0.0002","37.9438","0.0002","90","","90","","90","","54628.9","0.5","180","","180","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbipy-Co-vCO]","bis(carbonyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyridine unknown solvate","","- C266.74 H288 Co2 N18 O16.74 -","- C266.742 H292.008 Co2 N18 O16.7424 -","- C1600.45 H1752.05 Co12 N108 O100.454 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma; Allan, David Robert; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand Effects on Gas Adsorption in Nanoporous Phthalocyanine Crystals","Chemical Communications","2024","","","","","10.1039/D4CC03896G","","","0.6889","synchrotron","","0.1133","0.092","","","0.2419","0.2601","","","","","","1.054","","","","has coordinates,has disorder","294821","2024-09-20","21:59:44",""
"7133754","37.7852","0.0002","37.7852","0.0002","37.7852","0.0002","90","","90","","90","","53946.7","0.5","298","","298","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbipy-Co-vNO]","bis(nitrosyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt)","","- C266 H288 Co2 N20 O18 -","- C266 H292.008 Co2 N20 O18 -","- C1596 H1752.05 Co12 N120 O108 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma; Allan, David Robert; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand Effects on Gas Adsorption in Nanoporous Phthalocyanine Crystals","Chemical Communications","2024","","","","","10.1039/D4CC03896G","","","0.6889","synchrotron","","0.121","0.0947","","","0.2918","0.3145","","","","","","1.093","","","","has coordinates,has disorder","294821","2024-09-20","21:59:44",""
"7133755","37.9704","0.0002","37.9704","0.0002","37.9704","0.0002","90","","90","","90","","54743.9","0.5","180","","180","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbipy-Co-vNO]","bis(nitrosyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyridine unknown solvate","","- C266 H288 Co2 N20 O18 -","- C266 H296 Co2 N20 O18 -","- C1596 H1776 Co12 N120 O108 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma; Allan, David Robert; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand Effects on Gas Adsorption in Nanoporous Phthalocyanine Crystals","Chemical Communications","2024","","","","","10.1039/D4CC03896G","","","0.6889","synchrotron","","0.1067","0.0873","","","0.2399","0.2555","","","","","","1.092","","","","has coordinates,has disorder","294821","2024-09-20","21:59:44",""
"7133756","37.8533","0.0002","37.8533","0.0002","37.8533","0.0002","90","","90","","90","","54238.9","0.5","180","","180","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbipy-Co]","bis((2,3,9,10,16,17,23,24-octakis(2',6'- di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyridine unknown solvate","","- C266 H288 Co2 N18 O16 -","- C266 H282.014 Co2 N18 O16 -","- C1596 H1692.09 Co12 N108 O96 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma; Allan, David Robert; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand Effects on Gas Adsorption in Nanoporous Phthalocyanine Crystals","Chemical Communications","2024","","","","","10.1039/D4CC03896G","","","0.6889","synchrotron","","0.1393","0.1015","","","0.2989","0.3322","","","","","","1.108","","","","has coordinates,has disorder","294821","2024-09-20","21:59:44",""
"7206498","21.9371","0.0008","21.9371","0.0008","21.9371","0.0008","90","","90","","90","","10556.9","0.7","293","2","293","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C36 H40 Mn2 N6 Na O22.5 S6 -","- C36 H18 Mn2 N6 Na O22.5 S6 -","- C288 H144 Mn16 N48 Na8 O180 S48 -","8","0.166667","","Yuan, Ning; Sheng, Tianlu; Zhang, Jian; Tian, Chongbin; Hu, Shengmin; Huang, Xihe; Wang, Fei; Wu, Xintao","A disulfide ligand with axial chirality generated in situ for the construction of an unusual hxg topological coordination polymer","CrystEngComm","2011","13","19","5951","","10.1039/c1ce05154g","","","0.71073","MoKα","","0.079","0.076","","","0.2489","0.2551","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208867","32.365","0.004","32.365","0.004","32.365","0.004","90","","90","","90","","33902","7","173","2","173","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C10 H7 Cu0.5 N O3.5 -","- C10 H6 Cu0.5 N O3.5 -","- C480 H288 Cu24 N48 O168 -","48","1","","Rajput, Lalit; Kim, Dongwook; Lah, Myoung Soo","Conformational control of ligands to create a finite metal‒organic cluster and an extended metal‒organic framework","CrystEngComm","2013","15","2","259","","10.1039/c2ce26015h","","","0.71073","MoKα","","0.2465","0.1515","","","0.4379","0.4844","","","","","","1.341","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209036","37.4921","0.0009","37.4921","0.0009","37.4921","0.0009","90","","90","","90","","52701","2","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C141.17 H156.92 Cl7.75 Co N10 O8.58 -","- C140 H144 Cl6 Co N10 O8 -","- C1680 H1728 Cl72 Co12 N120 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6884","synchrotron","","0.1797","0.1455","","","0.4179","0.4358","","","","","","1.581","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209037","37.5208","0.0002","37.5208","0.0002","37.5208","0.0002","90","","90","","90","","52822.2","0.5","150","2","150","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C147.33 H174.33 Cl10.08 Co N9 O11.33 -","- C134 H144 Cl0.0833333 Co N9 O8 -","- C1608 H1728 Cl Co12 N108 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6905","synchrotron","","0.0676","0.0611","","","0.1842","0.1901","","","","","","1.085","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209038","37.1172","0.0004","37.1172","0.0004","37.1172","0.0004","90","","90","","90","","51135.9","1","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C136.33 H155.33 Cl0.17 Co N9 O13.33 -","- C133.6 H144 Cl0.166667 Co N9 O10.5 -","- C1603.2 H1728 Cl2 Co12 N108 O126 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6709","synchrotron","","0.1838","0.1444","","","0.4132","0.4396","","","","","","1.651","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209039","37.5512","0.0003","37.5512","0.0003","37.5512","0.0003","90","","90","","90","","52950.7","0.7","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C169.08 H215.58 Co N9 O20.75 -","- C133.732 H144 Co N9 O9 -","- C1604.78 H1728 Co12 N108 O108 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6905","synchrotron","","0.0944","0.0876","","","0.2881","0.3008","","","","","","1.338","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209040","37.627","0.004","37.627","0.004","37.627","0.004","90","","90","","90","","53272","10","150","2","150","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.83 H150.25 Br2 Cl4.25 Co N8 O9.42 -","- C128 H144 Br2 Co N8 O8 -","- C1536 H1728 Br24 Co12 N96 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1351","0.1172","","","0.3544","0.3724","","","","","","1.471","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209041","37.2791","0.0003","37.2791","0.0003","37.2791","0.0003","90","","90","","90","","51807.9","0.7","100","2","100","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.83 H155.08 Br0.88 Cl4.25 Co N8 O11.42 -","- C128 H144 Br0.87 Co N8 O10 -","- C1536 H1728 Br10.44 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1228","0.1025","","","0.3268","0.3473","","","","","","1.375","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209042","37.017","0.004","37.017","0.004","37.017","0.004","90","","90","","90","","50723","9","100","2","100","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.17 H153.42 Br1.32 Cl3.25 Co N8 O11.08 -","- C128 H144 Br1.317 Co N8 O10 -","- C1536 H1728 Br15.804 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.158","0.1359","","","0.3776","0.4015","","","","","","1.535","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209043","37.458","0.005","37.458","0.005","37.458","0.005","90","","90","","90","","52557","12","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C132 H157 Co N9 O8 -","- C132 H155 Co N9 O10 -","- C1584 H1860 Co12 N108 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","Synchrotron","","0.1497","0.1354","","","0.389","0.3993","","","","","","1.6","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209044","37.23","0.004","37.23","0.004","37.23","0.004","90","","90","","90","","51603","10","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C128 H146 Cl2 Co N8 O10 -","- C128 H144 Cl2 Co N8 O10 -","- C1536 H1728 Cl24 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1885","0.1749","","","0.465","0.4776","","","","","","2.003","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209045","37.365","0.004","37.365","0.004","37.365","0.004","90","","90","","90","","52167","10","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.5 H154.25 Cl5.02 Co N8 O11.25 -","- C128 H144 Cl1.35 Co N8 O10 -","- C1536 H1728 Cl16.2 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1491","0.1318","","","0.3742","0.3949","","","","","","1.647","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209046","37.6395","0.0003","37.6395","0.0003","37.6395","0.0003","90","","90","","90","","53325.1","0.7","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130 H157.17 Cl1.5 Co N8 O12.67 -","- C129 H144 Co N8 O12 -","- C1548 H1728 Co12 N96 O144 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1101","0.1043","","","0.3445","0.3528","","","","","","1.603","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209047","37.5719","0.0016","37.5719","0.0016","37.5719","0.0016","90","","90","","90","","53038","4","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C135.5 H157.17 Co N12 O8.75 -","- C134 H144 Co N12 O10.0833 -","- C1608 H1728 Co12 N144 O121 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6939","synchrotron","","0.1037","0.0835","","","0.2717","0.295","","","","","","1.184","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209048","37.603","0.003","37.603","0.003","37.603","0.003","90","","90","","90","","53170","7","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C144.5 H184.25 Cl9.75 Co N12 O15.25 -","- C138 H144 Co N12 O12 -","- C1656 H1728 Co12 N144 O144 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1223","0.1171","","","0.3932","0.4004","","","","","","1.865","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209049","37.3922","0.0002","37.3922","0.0002","37.3922","0.0002","90","","90","","90","","52280.9","0.5","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C152.5 H176.5 Co N11.5 O8.5 -","- C152.5 H176 Co N11.5 O8.5 -","- C1830 H2112 Co12 N138 O102 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","Synchrotron","","0.1611","0.1508","","","0.4504","0.4565","","","","","","2.143","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209050","37.4908","0.0002","37.4908","0.0002","37.4908","0.0002","90","","90","","90","","52695.6","0.5","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C132 H155 Cl3 Co N9 O9 -","- C132 H145 Cl3 Co N9 O9 -","- C1584 H1740 Cl36 Co12 N108 O108 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.671","synchrotron","","0.1843","0.1458","","","0.4153","0.459","","","","","","2.041","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209785","19.663","0.0003","19.663","0.0003","19.663","0.0003","90","","90","","90","","7602.4","0.2","293","2","293","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C96 H96 Cu6 Mo12 N72 O43 -","- C96 H96 Cu6 Mo12 N72 O43 -","- C192 H192 Cu12 Mo24 N144 O86 -","2","0.0416667","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71073","MoKα","","0.1236","0.1125","","","0.1915","0.1967","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210297","32.652","0.005","32.652","0.005","32.652","0.005","90","","90","","90","","34812","9","293","2","293","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C14 H10 O11 P2 Zn2.5 -","- C14 H8 O11 P2 Zn2.5 -","- C672 H384 O528 P96 Zn120 -","48","1","","Deng, Mingli; Liu, Xiaofeng; Zheng, Qingshu; Chen, Zhenxia; Fang, Changye; Yue, Bin; He, Heyong","Controllable preparation and structures of two zinc phosphonocarboxylate frameworks with MER and RHO zeolitic topologies","CrystEngComm","2013","15","35","7056","","10.1039/c3ce40673c","","","0.71073","MoKα","","0.0896","0.0559","","","0.1345","0.1473","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216078","36.412","0.004","36.412","0.004","36.412","0.004","90","","90","","90","","48276","9","293","2","293","2","","","","","","","","3","P n -3 n :2","-P 4a 2bc 3","222","","","","- C38 H51.12 O9.56 -","- C38 H44 O9.56083 -","- C1824 H2112 O458.92 -","48","1","","Tedesco, Consiglia; Immediata, Ivano; Gregoli, Luisa; Vitagliano, Luigi; Immirzi, Attilio; Neri, Placido","Interconnected water channels and isolated hydrophobic cavities in a calixarene-based, nanoporous supramolecular architecture","CrystEngComm","2005","7","73","449","","10.1039/b505375g","","","0.93931","synchrotron","","0.1046","0.104","","","0.3804","0.3841","","","","","","2.105","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7708321","31.903","0.004","31.903","0.004","31.903","0.004","90","","90","","90","","32471","7","100","2","100","2","","","","","","","","8","P n -3 n :2","-P 4a 2bc 3","222","","","","- C402 H386 B12 F48 N48 O68 Pd6 S7 -","- C336 H240 B F4 N48 O48 Pd6 -","- C672 H480 B2 F8 N96 O96 Pd12 -","2","0.0416667","","Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions","Dalton Transactions","2021","","","","","10.1039/D1DT00859E","","","0.85","synchrotron","","0.2902","0.207","","","0.4881","0.5498","","","","","","1.573","","","","has coordinates,has disorder","269195","2021-09-17","23:04:10",""