# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-09T04:06:51+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -4 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
"1001569","12.0717","0.0002","12.0717","0.0002","3.8737","0.0001","90","","90","","90","","564.5","","","","","","","","","","","","","4","P -4 n 2","P -4 -2n","118","","Dineodymium tetrabarium dicopper oxide","","- Ba4 Cu2 Nd2 O9 -","- Ba4 Cu2 Nd2 O9 -","- Ba8 Cu4 Nd4 O18 -","2","0.25","","Domenges, B; Abbattista, F; Michel, C; Vallino, M; Barbey, L; Nguyen, N; Raveau, B","A one-dimensional cuprate closely related to the ""0212""-structure: Nd~2~Ba~4~Cu~2~O~9~","Journal of Solid State Chemistry","1993","106","","271","281","10.1006/jssc.1993.1286","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010617","6.585","","6.585","","6.585","","90","","90","","90","","285.5","","","","","","","","","","","","","3","P -4 n 2","P -4 -2n","118","","Zinc catena-antimonate","","- O6 Sb2 Zn -","- O3 Sb2 Zn -","- O6 Sb4 Zn2 -","2","0.25","","Clark, G. L.; Reynolds, D. A.","The crystal structure of zinc meta-antimonate Zn(Sb O~3~)~2~","Zeitschrift für Kristallographie - Crystalline Materials","1938","98","1-6","185","190","10.1524/zkri.1938.98.1.185","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1508183","15.3164","0.0002","15.3164","0.0002","11.091","0.0003","90","","90","","90","","2601.86","0.09","171","2","171","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C42 H54 N4 O2 Si4 U -","- C42 H54 N4 O2 Si4 U -","- C84 H108 N8 O4 Si8 U2 -","2","0.25","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","0.71073","MoKα","","0.0337","0.0229","","","0.0614","0.0661","","","","","","1.185","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1523046","5.823","","5.823","","14.2","","90","","90","","90","","481.484","","","","","","","","","","","","","2","P -4 n 2","P -4 -2n","118","","","","- Ga5 Ir3 -","- Ga5 Ir3 -","- Ga20 Ir12 -","4","0.5","","Voellenkle, H.; Wittmann, A.; Nowotny, H.","Die Kristallstrukturen von Rh10 Ga17 und Ir3 Ga5","Monatshefte fuer Chemie (-108,1977)","1963","94","","841","842","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524662","6.829","","6.829","","7.094","","90","","90","","90","","330.83","","","","","","","","","","","","","2","P -4 n 2","P -4 -2n","118","","","","- Co In3 -","- Co In3 -","- Co4 In12 -","4","0.5","","Katrich, M.V.; Titov, Yu.G.; Matyushenko, N.N.","Crystal structure of the ordered phase Co In3","Kristallografiya","1977","22","","188","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525237","6.26","","6.26","","6.26","","90","","90","","90","","245.314","","","","","","","","","","","","","2","P -4 n 2","P -4 -2n","118","","","","- Co Ga3 -","- Co Ga3 -","- Co4 Ga12 -","4","0.5","","Schubert, K.; Lukas, H.L.; Meissner, H.G.; Bhan, S.","Zum Aufbau der Systeme Co-Ga, Pd-Ga, Pd-Zn und verwandter Legierungen","Zeitschrift fuer Metallkunde","1959","50","","534","540","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531661","7.823","","7.823","","9.053","","90","","90","","90","","554.038","","","","","","","","","","","","","3","P -4 n 2","P -4 -2n","118","","Zn3 (P S4)2","","- P2 S8 Zn3 -","- P2 S8 Zn3 -","- P4 S16 Zn6 -","2","0.25","","Joergens, S.; Johrendt, D.; Mewis, A.","Motive dichtester Kugelpackungen: die Verbindungen Zn3 (P S4)2 und Li Zn P S4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1765","1769","","","","","","","","","","","","","","","","","","","","","","has coordinates","157187","2020-10-21","18:00:00",""
"1533412","12.0496","","12.0496","","3.8649","","90","","90","","90","","561.156","","","","","","","","","","","","","4","P -4 n 2","P -4 -2n","118","","Sm2 Ba4 Cu2 O9","","- Ba4 Cu2 O9 Sm2 -","- Ba4 Cu2 O9 Sm2 -","- Ba8 Cu4 O18 Sm4 -","2","0.25","","Schuepp, B.; Wende, C.","Synthesis and crystal structure of Sm2 Ba4 Cu2 O9","Journal of Alloys Compd.","2003","361","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","159653","2020-10-21","18:00:00",""
"1536801","12.0483","","12.0483","","7.207","","90","","90","","90","","1046.18","","","","","","","","","","","","","3","P -4 n 2","P -4 -2n","118","","","","- Nb P2 S8 -","- Nb P2 S8 -","- Nb4 P8 S32 -","4","0.5","","Evain, M.; Brec, R.; Ouvrard, G.; Rouxel, J.","Structure determination of (3D) P2 Nb S8","Materials Research Bulletin","1984","19","","41","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1544745","42.723","0.006","42.723","0.006","37.856","0.008","90","","90","","90","","69097","2","223","1","223","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C372 H446 Cd24 Eu8 N24 O142 -","- C372 H446 Cd24 Eu8 N24 O142 -","- C1488 H1784 Cd96 Eu32 N96 O568 -","4","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming","Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors.","Nanoscale","2017","9","2","517","521","10.1039/c6nr07906g","","","0.710747","MoKα","","0.1553","0.0916","","","0.2165","0.2587","","","","","","0.908","","","","has coordinates","191694","2020-10-21","18:00:00",""
"1544746","42.795","0.006","42.795","0.006","37.864","0.008","90","","90","","90","","69345","2","190","1","190","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C389 H512 Cd24 N24 Nd8 O173.5 -","- C389 H512 Cd24 N24 Nd8 O173.5 -","- C1556 H2048 Cd96 N96 Nd32 O694 -","4","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming","Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors.","Nanoscale","2017","9","2","517","521","10.1039/c6nr07906g","","","0.71073","MoKα","","0.2006","0.1094","","","0.2595","0.3325","","","","","","1.083","","","","has coordinates","191694","2020-10-21","18:00:00",""
"1549309","42.806","0.006","42.806","0.006","37.886","0.008","90","","90","","90","","69421","2","190","1","190","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C386 H500 Cd24 N24 O177 Tb8 -","- C386 H500 Cd24 N24 O177 Tb8 -","- C1544 H2000 Cd96 N96 O708 Tb32 -","4","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.161","0.0892","","","0.2151","0.2444","","","","","","1.107","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1567747","24.6098","0.0002","24.6098","0.0002","24.6246","0.0004","90","","90","","90","","14913.7","0.3","296","2","296","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C40 Ca21 O278 U24 -","- C40 Ca21 O278 U24 -","- C80 Ca42 O556 U48 -","2","0.25","","Tyumentseva, Olga S.; Kornyakov, Ilya V.; Kasatkin, Anatoly V.; Plášil, Jakub; Krzhizhanovskaya, Maria G.; Krivovichev, Sergey V.; Burns, Peter C.; Gurzhiy, Vladislav V.","One of Nature’s Puzzles Is Assembled: Analog of the Earth’s Most Complex Mineral, Ewingite, Synthesized in a Laboratory","Materials","2022","15","19","6643","","10.3390/ma15196643","","x-ray","0.71073","MoKα","","0.0731","0.0603","","","0.1312","0.1377","","","","","","1.09","","","","has coordinates,has disorder","278496","2022-10-08","00:30:02",""
"2007273","9.739","0.001","9.739","0.001","16.921","0.001","90","","90","","90","","1604.9","0.3","198","","198","","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C20 H56 Li2 N2 O2 Si4 -","- C20 H56 Li2 N2 O2 Si4 -","- C40 H112 Li4 N4 O4 Si8 -","2","0.25","QC0002","Boyle, Timothy J.; Scott, Brian L.","Low-Temperature Structure of Lithium Bis(trimethylsilyl)amide Etherate, {[LiO(CH~2~CH~3~)~2~][N(Si(CH~3~)~3~)~2~]}~2~","Acta Crystallographica Section C","1998","54","5","IUC9800018","","10.1107/S0108270198099697","","","0.71073","MoKα","","0.0402","0.0358","","0.1063","0.1022","","","","1.323","1.326","1.326","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:31",""
"2016169","8.7979","0.0018","8.7979","","5.037","0.003","90","","90","","90","","389.9","0.2","297","","297","","","","","","","","","1","P -4 n 2","P -4 -2n","118","boron-rich nitride","boron nitride","","- B -","- B0.96 -","- B48 -","50","6.25","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2021683","16.535","0.0004","16.535","0.0004","18.1127","0.0004","90","","90","","90","","4952.1","0.2","296","2","296.15","","","","","","","","","5","P -4 n 2","P -4 -2n","118","","Tetrakis[μ-<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)formamidinato]digold(I)disilver(I)","","- C22 H18 Ag Au N8 -","- C22 H18 Ag Au N8 -","- C176 H144 Ag8 Au8 N64 -","8","1","QS3083","Hsu, Wayne","Luminescence properties and optimized structural conformations of the S~0~, S~1~ and T~1~ states of a tetranuclear formamidinate complex based on Au^I^ and Ag^I^ metal ions","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008581","","","0.71073","MoKα","","0.041","0.0324","","","0.0771","0.0802","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","216511","2020-10-21","18:00:00",""
"2104554","10.616","0.004","10.616","","17.008","0.006","90","","90","","90","","1916.8","1","183.1","","","","","","","","","","","7","P -4 n 2","P -4 -2n","118","","catena-(tetrakis(mu(3)-2,6-bis(acetylacetato)pyridine)octakis(mu(2)-cyano)- hexadeca-aqua-tetracyano-di-chromium-tetra-cobalt-di-lanthanum","","- C32 H30 Co2 Cr La N8 O12 -","- C32 H22 Co2 Cr La N8 O12 -","- C64 H44 Co4 Cr2 La2 N16 O24 -","2","0.25","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104555","10.636","0.002","10.636","","16.878","0.002","90","","90","","90","","1909.3","0.4","183.1","","","","","","","","","","","7","P -4 n 2","P -4 -2n","118","","catena-(tetrakis(mu(3)-2,6-bis(acetylacetato)pyridine)octakis(mu(2)-cyano)- hexadeca-aqua-tetracyano-di-chromium-tetra-cobalt-di-lanthanum","","- C32 H30 Co2 Cr Gd N8 O12 -","- C32 H22 Co2 Cr Gd N8 O12 -","- C64 H44 Co4 Cr2 Gd2 N16 O24 -","2","0.25","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105998","7.6726","0.0001","7.6726","0.0001","9.191","0.0002","90","","90","","90","","541.063","0.015","15","","15","2","","","","","","","","2","P -4 n 2","P -4 -2n","118","paracyclophane","[2,2]-Paracyclophane","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.25","BM5068","Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar","Charge density investigations on [2,2]-paracyclophane – in data we trust","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026080","","","0.71073","MoKα","","0.013","0.013","","","","0.032","","","","","","2.134","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2105999","7.6619","0.0001","7.6619","0.0001","9.183","0.0002","90","","90","","90","","539.085","0.015","15","","15","2","","","","","","","","2","P -4 n 2","P -4 -2n","118","paracyclophane","[2,2]-Paracyclophane","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.25","","Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar","Charge density investigations on [2,2]-paracyclophane – in data we trust","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026080","","","0.3936","synchrotron","","0.017","0.017","","","","0.035","","","","","","1.364","","","","has coordinates,has Fobs","301802","2025-08-19","10:19:25",""
"2106000","7.6761","0.0001","7.6761","0.0001","9.1966","0.0002","90","","90","","90","","541.887","0.015","35","","35","2","","","","","","","","2","P -4 n 2","P -4 -2n","118","Paracyclophane","[2,2]-Paracyclophane","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.25","","Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar","Charge density investigations on [2,2]-paracyclophane – in data we trust","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026080","","","0.71073","MoKα","","0.012","0.012","","","","0.027","","","","","","2.783","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2106001","7.6648","0.0001","7.6648","0.0001","9.1858","0.0002","90","","90","","90","","539.658","0.015","35","","35","2","","","","","","","","2","P -4 n 2","P -4 -2n","118","paracyclophane","[2,2]-Paracyclophane","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.25","","Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar","Charge density investigations on [2,2]-paracyclophane – in data we trust","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026080","","","0.3936","synchrotron","","0.016","0.016","","","","0.035","","","","","","1.804","","","","has coordinates,has Fobs","301802","2025-08-19","10:19:25",""
"2107177","12.483","","12.483","","5.728","","90","","90","","90","","892.567","","","","","","","","","","","","","5","P -4 n 2","P -4 -2n","118","","Gd Na (Re O4)4 (H2 O)4","","- Gd H8 Na O20 Re4 -","- Gd H8 Na O20 Re4 -","- Gd2 H16 Na2 O40 Re8 -","2","0.25","","Slimane, A.A.; Sivestre, J.P.F.; Freundlich, W.; Rimsky, A.","Structure du Perrhenate de Gadolinium-Sodium Tetrahydrate Gd Na (Re O4)4 (H2 O)4","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1070","1074","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:26",""
"2202651","10.852","0.002","10.852","0.002","5.9751","0.0015","90","","90","","90","","703.7","0.3","130","2","130","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","acetylacetone dioxime","pentane-2,4-dione dioxime","","- C5 H10 N2 O2 -","- C5 H10 N2 O2 -","- C20 H40 N8 O8 -","4","0.5","FL6064","Marilyn M. Olmstead; Javad J. Sahbari","Acetylacetone dioxime","Acta Crystallographica Section E","2003","59","11","o1648","o1649","10.1107/S1600536803021731","","","1.54178","CuKα","","0.0292","0.0279","","","0.0769","0.0783","","","","","","1.121","","","","has coordinates,has Fobs","301803","2025-08-19","11:20:44",""
"2203268","8.1791","0.0006","8.1791","","16.42","0.001","90","","90","","90","","1098.46","0.1","294","2","294","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","Cadmium binicotinate","2,2'-Bipyridyl-3,3'-dicarboxylatocadmium(II)","","- C12 H6 Cd N2 O4 -","- C12 H6 Cd N2 O4 -","- C48 H24 Cd4 N8 O16 -","4","0.5","BT6410","Huang, Xiao-Chun; Zhang, Lin-Yun; Chen, Xiao-Ming; Ng^a^, Seik Weng","Cadmium binicotinate","Acta Crystallographica Section E","2004","60","3","m332","m333","10.1107/S1600536804003940","","","0.71073","MoKα","","0.02","0.019","","","0.045","0.045","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2211534","17.1304","0.0007","17.1304","0.0007","9.6273","0.0004","90","","90","","90","","2825.1","0.2","180","2","180","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","Bis[N,N'-bis(3,3-diphenylprop-2-enylidene)ethane-1,2-diamine-κ^2^N,N']copper(I) triiodide","","- C64 H56 Cu I3 N4 -","- C64 H56 Cu I3 N4 -","- C128 H112 Cu2 I6 N8 -","2","0.25","NG2135","Aliakbar Dehno Khalaji; Mehdi Amirnasr; Jean-Claude Daran","Bis[<i>N</i>,<i>N</i>'-bis(3,3-diphenylprop-2-enylidene)ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>']copper(I) triiodide","Acta Crystallographica Section E","2006","62","12","m3183","m3184","10.1107/S1600536806044916","","","0.71073","MoKα","","0.0554","0.032","","","0.0615","0.0686","","","","","","1.099","","","","has coordinates","301804","2025-08-19","12:25:34",""
"2221270","10.1225","0.0014","10.1225","0.0014","15.865","0.003","90","","90","","90","","1625.6","0.4","298","2","293","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","Bis{2-[6-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)-2-pyridyl- κ<i>N</i>]benzimidazolato-κ<i>N</i>}manganese(II)","","- C38 H24 Mn N10 -","- C38 H24 Mn N10 -","- C76 H48 Mn2 N20 -","2","0.25","BI2351","Bai, Xian-Qun; Zhang, Shu-Hua","Bis{2-[6-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)-2-pyridyl-κ<i>N</i>]benzimidazolato-κ<i>N</i>}manganese(II)","Acta Crystallographica Section E","2009","65","4","m397","","10.1107/S1600536809008411","","","0.71073","MoKα","","0.0592","0.035","","","0.0803","0.0952","","","","","","1.035","","","","has coordinates,has Fobs","301805","2025-08-19","13:55:07",""
"4002226","10.574","","10.574","","8.301","","90","","90","","90","","928.13","","","","","","","","","","","","","4","P -4 n 2","P -4 -2n","118","","K2 (Mn Sn Se4)","","- K2 Mn Se4 Sn -","- K2 Mn Se4 Sn -","- K8 Mn4 Se16 Sn4 -","4","0.5","","Chen, X.; Zhang, L.-D.; Huang, X.-Y.; Fu, A.-H.; Li, J.; Guo, H.-Y.","From 1D chain to 3D network: syntheses, structures, and 1D properties of K2 Mn Sn2 Se6, K2 Mn Sn Se4, and K2 Ag2 Sn Se4","Chemistry of Materials (1,1989-)","2000","12","","2385","2391","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002641","5.5526","0.00005","5.5526","0.00005","6.07271","0.00008","90","","90","","90","","187.23","0.003","295","","295","","","","100","","","","","3","P -4 n 2","P -4 -2n","118","δ-manganese borohydride","manganese ditetrahydroborate","","- B2 H8 Mn -","- B2 H8 Mn -","- B4 H16 Mn2 -","2","0.25","","Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav","High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density","Chemistry of Materials","2016","28","1","274","","10.1021/acs.chemmater.5b04102","powder diffraction","","0.82577","synchrotron","","","","","","","","","5.2091","3.96","","","","","","","has coordinates","175776","2020-10-21","18:00:00",""
"4028403","11.8431","0.0001","11.8431","0.0001","19.1284","0.0004","90","","90","","90","","2682.93","0.06","293","2","293","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C20 H39 N3 O4 -","- C10 H19.5 N1.5 O2 -","- C80 H156 N12 O16 -","8","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","1.54184","CuKα","","0.0397","0.037","","","0.1086","0.1114","","","","","","1.095","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4103528","17.6562","0.0004","17.6562","0.0004","4.5121","0.0001","90","","90","","90","","1406.61","0.05","100","2","100","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","2,2'-diisocyano-1,1',3,3'-tetraethoxycarbonyl-6,6'-biazulenyl","","","- C34 H28 N2 O8 -","- C34 H28 N2 O8 -","- C68 H56 N4 O16 -","2","0.25","","Tiffany R. Maher; Andrew D. Spaeth; Brad M. Neal; Cindy L. Berrie; Ward H. Thompson; Victor W. Day; Mikhail V. Barybin","Linear 6,6'-Biazulenyl Framework Featuring Isocyanide Termini: Synthesis, Structure, Redox Behavior, Complexation, and Self-Assembly on Au(111)","Journal of the American Chemical Society","2010","132","","15924","15926","10.1021/ja108202d","","","1.54178","CuKα","","0.0314","0.03","","","0.0784","0.0794","","","","","","1.096","","","","has coordinates","301832","2025-08-20","14:35:18",""
"4106164","12.9197","0.0003","12.9197","0.0003","9.8491","0.0004","90","","90","","90","","1644","0.09","293","2","120","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C20.4 Co4 F O24.04 P6 -","- C20.4 Co4 F O24.04 P6 -","- C40.8 Co8 F2 O48.08 P12 -","2","0.25","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.103","0.0664","","","0.1548","0.1796","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112025","19.598","0.002","19.598","0.002","3.5015","0.0004","90","","90","","90","","1344.9","0.2","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C8 H17 Ag6 Cl N16 O3 -","- C8 H17 Ag6 Cl N16 O3 -","- C16 H34 Ag12 Cl2 N32 O6 -","2","0.25","","Jie-Peng Zhang; Yan-Yong Lin; Wei-Xiong Zhang; Xiao-Ming Chen","Temperature- or Guest-Induced Drastic Single-Crystal-to-Single-Crystal Transformations of a Nanoporous Coordination Polymer","Journal of the American Chemical Society","2005","127","","14162","14163","10.1021/ja054913a","","","0.71073","MoKα","","0.123","0.0879","","","0.2324","0.2493","","","","","","1.025","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112640","19.1659","0.0006","19.1659","0.0006","16.0803","0.001","90","","90","","90","","5906.8","0.5","213","2","213","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","Cr3(depa)4Cl2 0.5hexane","","","- C59 H71 Cl2 Cr3 N12 -","- C59 H64 Cl2 Cr3 N12 -","- C236 H256 Cl8 Cr12 N48 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0388","0.0334","","","0.0919","0.0992","","","","","","1.097","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4116931","9.1203","0.0006","9.1203","0.0006","13.0859","0.0009","90","","90","","90","","1088.48","0.13","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C13 H32 Cl2 Cu N4 O8 -","- C13 H30 Cl2 Cu N4 O8 -","- C26 H60 Cl4 Cu2 N8 O16 -","2","0.25","","Paul V. Bernhardt","On the Structure, Electrochemistry, and Spectroscopy of the (N,N'-Bis(2'-(dimethylamino)ethyl)-N,N'-dimethylpropane-1,3- diamine)copper(II) Ion","Journal of the American Chemical Society","1997","119","","771","774","10.1021/ja961764a","","","0.71073","MoKα","","0.1121","0.0632","","0.2162","0.1735","","","","1.072","1.134","1.134","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4120669","34.111","0.006","34.111","0.006","22.396","0.004","90","","90","","90","","26059","8","173","2","173","2","","","","","","","","8","P -4 n 2","P -4 -2n","118","","","","- C192 H348 Cu4 F24 Ir8 N16 O114 S8 -","- C166 H168 Cu4 F18 Ir8 N16 O46 S6 -","- C664 H672 Cu16 F72 Ir32 N64 O184 S24 -","4","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","0.71073","MoKα","","0.0892","0.0691","","","0.1577","0.1674","","","","","","1.047","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4129878","14.2938","0.0003","14.2938","0.0003","12.2777","0.0003","90","","90","","90","","2508.49","0.1","100.02","0.13","100.02","0.13","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C40 H80 Cu2 Li4 O4 Si4 -","- C40 H80 Cu2 Li4 O4 Si4 -","- C80 H160 Cu4 Li8 O8 Si8 -","2","0.25","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0316","0.0264","","","0.0635","0.0667","","","","","","1.077","","","","has coordinates,has disorder","240528","2020-10-21","18:00:00",""
"4134919","21.8423","0.0005","21.8423","0.0005","39.3731","0.0018","90","","90","","90","","18784.4","1.1","291.1","0.1","291.1","0.1","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C55 H33 Co4.5 N4 O17.5 -","- C55 H33 Co4.5 N4 O17.5 -","- C440 H264 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","0.71","MoKα","","0.1809","0.097","","","0.2283","0.2793","","","","","","0.92","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134920","21.8132","0.0001","21.8132","0.0001","39.0403","0.0009","90","","90","","90","","18576","0.4","273","2","273.15","","","","","","","","","5","P -4 n 2","P -4 -2n","118","","b","","- C54 H32 Co4.5 N5 O17.5 -","- C54 H32 Co4.5 N5 O17.5 -","- C432 H256 Co36 N40 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","","0.71073","MoKα","","0.0878","0.0736","","","0.2146","0.2293","","","","","","1.123","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134921","21.7735","0.0005","21.7735","0.0005","39.2031","0.0016","90","","90","","90","","18585.6","1","294.08","0.17","294.08","0.17","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C52 H30 Co4.5 N7 O17.5 -","- C52 H30 Co4.5 N7 O17.5 -","- C416 H240 Co36 N56 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","0.71073","MoKα","","0.1544","0.0903","","","0.2385","0.2754","","","","","","0.943","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134922","21.8598","0.0003","21.8598","0.0003","39.3559","0.0011","90","","90","","90","","18806.3","0.6","293.6","0.4","293.6","0.4","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C58 H40 Co4.5 N4 O17.5 -","- C58 H40 Co4.5 N4 O17.5 -","- C464 H320 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.1795","0.1208","","","0.311","0.3637","","","","","","1.09","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134923","21.8545","0.0003","21.8545","0.0003","39.3775","0.0009","90","","90","","90","","18807.4","0.6","100","0.1","100","0.1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C55 H23.5 Co4.5 F4 N4 O17.5 -","- C55 H23.5 Co4.5 F4 N4 O17.5 -","- C440 H188 Co36 F32 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.1564","0.1049","","","0.2766","0.3256","","","","","","1.053","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134924","21.9069","0.0004","21.9069","0.0004","39.6456","0.0013","90","","90","","90","","19026.4","0.8","293.26","0.16","293.26","0.16","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C57 H33 Co4.5 N4 O17.5 -","- C57 H33 Co4.5 N4 O17.5 -","- C456 H264 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","0.71073","MoKα","","0.1149","0.0922","","","0.2674","0.2939","","","","","","1.059","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134925","21.9081","0.0004","21.9081","0.0004","39.4769","0.0013","90","","90","","90","","18947.5","0.8","294.1","0.6","294.1","0.6","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C55 H31 Br0.5 Co4.5 N4 O17.5 -","- C55 H31 Br0.5 Co4.5 N4 O17.5 -","- C440 H248 Br4 Co36 N32 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.228","0.1278","","","0.313","0.4049","","","","","","0.999","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4134926","21.6973","0.0005","21.6973","0.0005","39.0746","0.0019","90","","90","","90","","18395.3","1.1","292.17","0.1","292.17","0.1","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C55 H34 N4 Ni4.5 O17.5 -","- C55 H33 N4 Ni4.5 O17.5 -","- C440 H264 N32 Ni36 O140 -","8","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Yang, Yike; Lin, Quanjie; Zhang, Zhangjing; O'Keeffe, Michael; Xiang, Shengchang","Integrating pillared-layer strategy and pore-space partition method to construct multicomponent MOFs for C2H2/CO2 separation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00612","","x-ray","1.54184","CuKα","","0.1853","0.0915","","","0.2244","0.2854","","","","","","0.885","","","","has coordinates","251863","2020-10-21","18:00:00",""
"4300092","14.414","0.002","14.414","0.002","10.585","0.001","90","","90","","90","","2199.2","0.5","295","2","295","2","","","","","","","synthesis","6","P -4 n 2","P -4 -2n","118","","","","- C44 H40 Cl2 Cr3 N12 O -","- C45.04 H32 Cl2 Cr3 N12 -","- C90.08 H64 Cl4 Cr6 N24 -","2","0.25","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual","Linear Trichromium Complexes with Direct Cr to Cr Contacts. 1. Compounds with Cr3(dipyridylamide)42+ Cores","Inorganic Chemistry","2000","39","","748","751","10.1021/ic990793u","","","1.54184","CuKα","","0.1448","0.0719","","0.1881","0.1469","","","","1.077","1.131","1.131","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4304980","22.5647","0.0006","22.5647","0.0006","26.3631","0.0013","90","","90","","90","","13423.2","0.8","173","2","173","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C148 H194 Ce Mn8 N2 O64 -","- C96 H82 Ce Mn8 N2 O36 -","- C384 H328 Ce4 Mn32 N8 O144 -","4","0.5","","Abhudaya Mishra; Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Eleni E. Moushi; Brian Moulton; Michael J. Zaworotko; Khalil A. Abboud; George Christou","Single-Molecule Magnets: A Family of MnIII/CeIV Complexes with a [Mn8CeO8]12+ Core","Inorganic Chemistry","2008","47","","4832","4843","10.1021/ic8001064","","","0.71073","MoKα","","0.0435","0.0367","","","0.1083","0.1106","","","","","","1.07","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4307752","11.437","0.012","11.438","0.012","18.72","0.019","90","","90","","90","","2449","4","293","2","293","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C56 H44 N12 O4 V -","- C56 H44 N12 O4 V -","- C112 H88 N24 O8 V2 -","2","0.25","","Manas Sutradhar; Gurunath Mukherjee; Michael G. B. Drew; Saktiprosad Ghosh","Simple General Method of Generating Non-oxo, Non-amavadine Model Octacoordinated Vanadium(IV) Complexes of Some Tetradentate ONNO Chelating Ligands from Various Oxovanadium(IV/V) Compounds and Structural Characterization of One of Them","Inorganic Chemistry","2007","46","","5069","5075","10.1021/ic062242r","","","0.71073","MoKα","","0.0404","0.0383","","","0.093","0.0942","","","","","","1.062","","","","has coordinates","301836","2025-08-20","19:34:59",""
"4311265","11.8787","0.0008","11.8787","0.0008","7.0539","0.001","90","","90","","90","","995.33","0.17","100","2","100","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","Lead(II) tetrakis(4-methylimidazolyl)borate nitrate","","- C16 H20 B N9 O3 Pb -","- C16 H20 B N8 Pb -","- C32 H40 B2 N16 Pb2 -","2","0.25","","Barton H. Hamilton; Christopher J. Ziegler","Lead and Thallium Tetrakis(imidazolyl)borates: Modifying Structure by Varying Metal and Anion","Inorganic Chemistry","2004","43","","4272","4277","10.1021/ic0497984","","","0.71073","MoKα","","0.0382","0.0365","","","0.0953","0.0972","","","","","","1.127","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4312420","12.852","0.0006","12.852","0.0006","9.5287","0.0006","90","","90","","90","","1573.89","0.14","203","2","100","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","Di (mu-fluoro)octacarbonyl iridium undecafluorodiantimonate","Di (mu-fluoro)octacarbonyl iridium undecafluorodiantimonate","","- C8 F24 Ir4 O8 Sb4 -","- C8 F24 Ir4 O8 Sb4 -","- C16 F48 Ir8 O16 Sb8 -","2","0.25","","In-Chul Hwang; Konrad Seppelt","Fluorination of [Os3(CO)12] and [Ir4(CO)12]","Inorganic Chemistry","2003","42","","7116","7122","10.1021/ic034611e","","","0.71073","MoKα","","0.0176","0.0162","","","0.038","0.0383","","","","","","1.115","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4313728","19.0825","0.0007","19.0825","0.0007","15.7712","0.001","90","","90","","90","","5743","0.5","213","2","213","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","Ni3(depa)4Cl2.0.5hexane","","","- C59 H71 Cl2 N12 Ni3 -","- C59 H64 Cl2 N12 Ni3 -","- C236 H256 Cl8 N48 Ni12 -","4","0.5","","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","","0.0383","0.0323","","","0.0888","0.0955","","","","","","1.08","","","","has coordinates,has disorder","179202","2020-10-21","18:00:00",""
"4313869","19.0972","0.0007","19.0972","0.0007","15.8345","0.0011","90","","90","","90","","5774.9","0.5","213","2","213","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","Co3(depa)4Cl2","","","- C56 H64 Cl2 Co3 N12 -","- C55.98 H59.94 Cl2 Co3 N12 -","- C223.92 H239.76 Cl8 Co12 N48 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo","Increasing Solubility and Stability of Linear Tricobalt(II) Chains with depa (Diethyldipyridylamide) Ligands","Inorganic Chemistry","2003","42","","4425","4430","10.1021/ic034149y","","","0.71073","MoKα","","0.0569","0.049","","","0.1504","0.1643","","","","","","1.08","","","","has coordinates,has disorder","179204","2020-10-21","18:00:00",""
"4313870","19.1585","0.0004","19.1585","0.0004","15.9611","0.0006","90","","90","","90","","5858.5","0.3","297","2","297","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","Co3(depa)4Cl2.0.5hexane","","","- C59 H71 Cl2 Co3 N12 -","- C59 H64 Cl2 Co3 N12 -","- C236 H256 Cl8 Co12 N48 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo","Increasing Solubility and Stability of Linear Tricobalt(II) Chains with depa (Diethyldipyridylamide) Ligands","Inorganic Chemistry","2003","42","","4425","4430","10.1021/ic034149y","","","0.71073","MoKα","","0.0629","0.0413","","","0.1054","0.1232","","","","","","1.061","","","","has coordinates,has disorder","179204","2020-10-21","18:00:00",""
"4313871","19.0498","0.0005","19.0498","0.0005","15.889","0.0009","90","","90","","90","","5766","0.4","213","2","213","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","Co3(depa)4Cl2.0.5hexane","","","- C59 H71 Cl2 Co3 N12 -","- C59 H64 Cl2 Co3 N12 -","- C236 H256 Cl8 Co12 N48 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo","Increasing Solubility and Stability of Linear Tricobalt(II) Chains with depa (Diethyldipyridylamide) Ligands","Inorganic Chemistry","2003","42","","4425","4430","10.1021/ic034149y","","","0.71073","MoKα","","0.0476","0.0372","","","0.0974","0.1045","","","","","","1.053","","","","has coordinates,has disorder","179204","2020-10-21","18:00:00",""
"4313872","18.9312","0.0011","18.9312","0.0011","16.045","0.0013","90","","90","","90","","5750.4","0.7","213","2","213","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","Co3(depa)4Cl2.acetone","","","- C59 H70 Cl2 Co3 N12 O -","- C59 H70 Cl2 Co3 N12 O -","- C236 H280 Cl8 Co12 N48 O4 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo","Increasing Solubility and Stability of Linear Tricobalt(II) Chains with depa (Diethyldipyridylamide) Ligands","Inorganic Chemistry","2003","42","","4425","4430","10.1021/ic034149y","","","0.71073","MoKα","","0.0976","0.0605","","","0.1341","0.1449","","","","","","1.018","","","","has coordinates,has disorder","179204","2020-10-21","18:00:00",""
"4313874","18.8948","0.0008","18.8948","0.0008","16.2414","0.0013","90","","90","","90","","5798.4","0.6","213","2","213","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","Co3(depa)4(CN)2.0.5hexane","","","- C61 H71 Co3 N14 -","- C61 H64 Co3 N14 -","- C244 H256 Co12 N56 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo","Increasing Solubility and Stability of Linear Tricobalt(II) Chains with depa (Diethyldipyridylamide) Ligands","Inorganic Chemistry","2003","42","","4425","4430","10.1021/ic034149y","","","0.71073","MoKα","","0.0371","0.0313","","","0.084","0.0898","","","","","","1.079","","","","has coordinates,has disorder","179204","2020-10-21","18:00:00",""
"4324477","17.1488","0.0008","17.1488","0.0008","43.475","0.002","90","","90","","90","","12785.2","1","200","2","200","2","","","","","","","Chemical Synthesis, S.C. Lee Lab","5","P -4 n 2","P -4 -2n","118","Fe4(N-p-Tol)4(SMes)4, tetragonal form","","","- C67 H75 Fe4 N4 S4 -","- C67 H75 Fe4 N4 S4 -","- C536 H600 Fe32 N32 S32 -","8","1","","Michael J. Zdilla; Atul K. Verma; Sonny C. Lee","Iron-Mediated Hydrazine Reduction and the Formation of Iron-Arylimide Heterocubanes","Inorganic Chemistry","2011","50","","1551","1562","10.1021/ic1021627","","","0.71073","MoKα","","0.075","0.0414","","0.099","0.0872","","","","1.02","1.078","1.078","","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4329586","15.213","0.002","15.213","0.002","14.092","0.003","90","","90","","90","","3261.4","0.9","193","2","193","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C26 H100 B16 La4 N8 O4 -","- C26 H100 B16 La4 N8 O4 -","- C52 H200 B32 La8 N16 O8 -","2","0.25","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.0401","0.0234","","","0.0382","0.0391","","","","","","0.742","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329671","27.033","0.004","27.033","","44.096","0.006","90","","90","","90","","32225","6","293","2","293","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C111 H92 N8 O100 Zn16 -","- C111 H60 O76 Zn16 -","- C444 H240 O304 Zn64 -","4","0.5","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.1042","0.0571","","","0.1143","0.1236","","","","","","0.972","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330730","15.568","0.002","15.568","0.002","24.604","0.005","90","","90","","90","","5963.1","1.6","193","2","193","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C72 H56 Ag4 Pt2 -","- C72 H56 Ag4 Pt2 -","- C288 H224 Ag16 Pt8 -","4","0.5","","Qiao-Hua Wei; Li-Jing Han; Yi Jiang; Xiao-Xia Lin; Ya-Nan Duan; Guo-Nan Chen","Electrochemiluminescence Properties of [Pt2Ag4(C\τbCC6H4R)8]n (R = CH3, n= 1; R = H, n= 1 and 2) with Amine (TPrA and DBAE) as the Coreactant and Determination of Sudan I","Inorganic Chemistry","2012","51","","11117","11125","10.1021/ic3016657","","","0.71073","synchrotron","","0.0536","0.0526","","","0.1556","0.1573","","","","","","1.045","","","","has coordinates","301839","2025-08-20","22:57:33",""
"4332403","9.936","0.003","9.936","0.003","17.727","0.005","90","","90","","90","","1750.1","0.9","193","2","193","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C20 H52 Li2 N2 O2 Sn4 -","- C20 H52 Li2 N2 O2 Sn4 -","- C40 H104 Li4 N4 O4 Sn8 -","2","0.25","","Eichler, Jack F.; Just, Oliver; Rees, William S.","Synthesis and Characterization of Imidocubanes with Exocube GeIVand SnIVSubstituents: [M(μ3-NGeMe3)]4(M = Sn, Ge, Pb); [Sn(μ3-NSnMe3)]4","Inorganic Chemistry","2006","45","17","6706","6712","10.1021/ic060331y","","","0.71073","MoKα","","0.0792","0.0487","","","0.129","0.1358","","","","","","0.981","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332404","9.7798","0.0006","9.7798","0.0006","17.664","0.002","90","","90","","90","","1689.5","0.2","193","2","193","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C20 H56 Ge2 Li2 N2 O2 Sn2 -","- C20 H56 Ge2 Li2 N2 O2 Sn2 -","- C40 H112 Ge4 Li4 N4 O4 Sn4 -","2","0.25","","Eichler, Jack F.; Just, Oliver; Rees, William S.","Synthesis and Characterization of Imidocubanes with Exocube GeIVand SnIVSubstituents: [M(μ3-NGeMe3)]4(M = Sn, Ge, Pb); [Sn(μ3-NSnMe3)]4","Inorganic Chemistry","2006","45","17","6706","6712","10.1021/ic060331y","","","0.71073","MoKα","","0.0465","0.0385","","","0.0977","0.1018","","","","","","1.075","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4334020","17.3359","0.0018","17.3359","0.0018","6.177","0.0007","90","","90","","90","","1856.4","0.3","190","2","190","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","Dicarbonyl(<i>N</i>,<i>N</i>-diethyl-<i>N'</i>,<i>N''</i>- diphenylguanidinato-κ^2^<i>N'</i>,<i>N''</i>)iridium(I)","","- C19 H20 Ir N3 O2 -","- C19 H20 Ir N3 O2 -","- C76 H80 Ir4 N12 O8 -","4","0.5","","Matthew R. Kelley; Jan-Uwe Rohde","Guanidinato Complexes of Iridium: Ligand-Donor Strength, O2 Reactivity, and (Alkene)peroxoiridium(III) Intermediates","Inorganic Chemistry","2013","52","","2564","2580","10.1021/ic302570s","","","0.71073","MoKα","","0.0308","0.0275","","","0.0857","0.0873","","","","","","1.21","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4341330","14.8275","0.0005","14.8275","0.0005","10.11","0.0003","90","","90","","90","","2222.73","0.12","150","0.1","150","0.1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C12 H26 Cl3 Cr N6 O7 -","- C12 H26 Cl3 Cr N6 O7 -","- C48 H104 Cl12 Cr4 N24 O28 -","4","0.5","","Tziouris, Petros A.; Tsiafoulis, Constantinos G.; Vlasiou, Manolis; Miras, Haralampos N.; Sigalas, Michael P.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Interaction of Chromium(III) with a N,N'-Disubstituted Hydroxylamine-(diamido) Ligand: A Combined Experimental and Theoretical Study.","Inorganic chemistry","2014","53","21","11404","11414","10.1021/ic501778d","","","0.71073","MoKα","","0.0705","0.0511","","","0.13","0.1433","","","","","","1.068","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4346364","18.09","0.015","18.09","0.015","15.871","0.013","90","","90","","90","","5194","7","100","2","100","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C32 H72 P4 S8 Th -","- C32 H72 P4 S8 Th -","- C128 H288 P16 S32 Th4 -","4","0.5","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0158","0.0139","","","0.0315","0.0321","","","","","","0.962","","","","has coordinates","231746","2020-10-21","18:00:00",""
"4346366","18.3858","0.0014","18.3858","0.0014","16.2449","0.0012","90","","90","","90","","5491.4","0.7","100","2","100","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C32 H72 P4 Se8 Th -","- C32 H72 P4 Se8 Th -","- C128 H288 P16 Se32 Th4 -","4","0.5","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0152","0.0131","","","0.0297","0.03","","","","","","0.996","","","","has coordinates","231746","2020-10-21","18:00:00",""
"4346367","18.3367","0.0014","18.3367","0.0014","16.2992","0.0012","90","","90","","90","","5480.4","0.7","100","2","100","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C32 H72 P4 Se8 U -","- C32 H72 P4 Se8 U -","- C128 H288 P16 Se32 U4 -","4","0.5","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0166","0.0145","","","0.0315","0.032","","","","","","1.004","","","","has coordinates","231747","2020-10-21","18:00:00",""
"4500743","13.7495","0.0019","13.7495","0.0019","25.533","0.005","90","","90","","90","","4827","1.3","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C60 H94 N12 Ni4 O25 -","- C60 H94 N12 Ni4 O25 -","- C120 H188 N24 Ni8 O50 -","2","0.25","","Guo, Jingjing; Li, Xinhua; Moorefield, Charles N.; Newkome, George R.","Novel Twofold Interpenetrating Channel Framework Based on Metal Tetramer Subunits","Crystal Growth & Design","2011","11","7","2695","","10.1021/cg200242n","","","0.71073","MoKα","","0.0979","0.0709","","","0.1696","0.1834","","","","","","1.027","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500744","13.7561","0.0003","13.7561","0.0003","25.5306","0.0012","90","","90","","90","","4831.2","0.3","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C60 H86 Cu4 N12 O21 -","- C60 H86 Cu4 N12 O21 -","- C120 H172 Cu8 N24 O42 -","2","0.25","","Guo, Jingjing; Li, Xinhua; Moorefield, Charles N.; Newkome, George R.","Novel Twofold Interpenetrating Channel Framework Based on Metal Tetramer Subunits","Crystal Growth & Design","2011","11","7","2695","","10.1021/cg200242n","","","0.71073","MoKα","","0.1297","0.1266","","","0.2867","0.2888","","","","","","1.271","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500745","13.7327","0.0015","13.7327","0.0015","25.466","0.006","90","","90","","90","","4802.6","1.4","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C60 H96 N12 Ni4 O26 -","- C60 H96 N12 Ni4 O26 -","- C120 H192 N24 Ni8 O52 -","2","0.25","","Guo, Jingjing; Li, Xinhua; Moorefield, Charles N.; Newkome, George R.","Novel Twofold Interpenetrating Channel Framework Based on Metal Tetramer Subunits","Crystal Growth & Design","2011","11","7","2695","","10.1021/cg200242n","","","0.71073","MoKα","","0.187","0.1533","","","0.3268","0.3551","","","","","","1.16","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4507338","20.019","0.003","20.019","0.003","18.861","0.004","90","","90","","90","","7559","2","293","2","293","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C48 H62 Cl0 Mn22 N60 Na0 O79 -","- C48 H54 Mn22 N60 O79 -","- C96 H108 Mn44 N120 O158 -","2","0.25","","Zhao, Jiong-Peng; Zhao, Ran; Song, Wei-Chao; Yang, Qian; Liu, Fu-Chen; Bu, Xian-He","Azido-Directed Formation of An Unprecedented Mn(II)-Organic Framework with Nanoscale Cubic Cage Units","Crystal Growth & Design","2013","13","2","437","","10.1021/cg3015354","","","0.71073","MoKα","","0.0893","0.0759","","","0.1683","0.1748","","","","","","1.138","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4511708","10.1459","0.0003","10.1459","0.0003","23.8634","0.0017","90","","90","0.001","90","","2456.5","0.2","296","2","296","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C20 H18 Cd N4 O7 -","- C20 H18 Cd N4 O7 -","- C80 H72 Cd4 N16 O28 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0456","0.0319","","","0.0946","0.1008","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7001217","50.9931","0.0015","50.9931","0.0015","16.8394","0.0005","90","","90","","90","","43787","2","150","2","150","2","","","","","","","","8","P -4 n 2","P -4 -2n","118","","","","- C222 H300 Cl F30 N24 O6 P5 Pt6 -","- C222 H300 Cl F30 N24 O6 P5 Pt6 -","- C888 H1200 Cl4 F120 N96 O24 P20 Pt24 -","4","0.5","","Au, Richard H. W.; Jennings, Michael C.; Puddephatt, Richard J.","Supramolecular organoplatinum(iv) chemistry: a nanotube structure supported by hydrogen bonds","Dalton Transactions","2009","","18","3519","3525","10.1039/b900855a","","","0.71073","MoKα","","0.078","0.0529","","","0.1216","0.1302","","","","","","0.928","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7006401","16.865","0.002","16.865","0.002","12.338","0.002","90","","90","","90","","3509.3","0.8","173","2","173","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C64 H100 Li8 N8 O10 -","- C64 H100 Li8 N8 O10 -","- C128 H200 Li16 N16 O20 -","2","0.25","","Aspinall, Garreth M.; Copsey, May C.; Jeffery, John C.; Breakspear, Angela P.; Russell, Christopher A.; Slattery, John M.","Lithium-nitrogen and lithium-boron-nitrogen cage compounds formed using the phenylhydrazido backbone.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1234","1238","10.1039/b510103d","","","0.71073","MoKα","","0.1201","0.057","","","0.1569","0.1842","","","","","","0.941","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7012049","16.7029","0.001","16.7029","0.001","21.936","0.0019","90","","90","","90","","6119.9","0.7","150","2","150","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","[Cu16(hfac)8(t-BuCC)8]","","","- C88 H80 Cu16 F48 O16 -","- C88 H80 Cu16 F48 O16 -","- C176 H160 Cu32 F96 O32 -","2","0.25","","Baxter, Christopher W.; Higgs, Timothy C.; Jones, Anita C.; Parsons, Simon; Bailey, Philip J.; Tasker, Peter A.","Luminescent high nuclearity Cu(i)-alkynyl clusters, [Cu16(hfac)8(3,3-dimethyl-1-butynyl)8] and [Cu20(hfac)8(3-phenyl-1-propynyl)12]","Journal of the Chemical Society, Dalton Transactions","2002","","23","4395","","10.1039/b207106c","","","0.71073","MoKα","","0.0353","0.0313","","","0.0708","0.0718","","","","","","0.952","","","","has coordinates,has disorder","301847","2025-08-21","11:39:31",""
"7017424","12.2787","0.0006","12.2787","0.0006","11.2091","0.0009","90","","90","","90","","1689.96","0.18","123","2","123","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C28 H48 N8 Na2 Zn -","- C28.024 H48 N8 Na2 Zn -","- C56.048 H96 N16 Na4 Zn2 -","2","0.25","","Garden, Jennifer A.; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","Neutral zinc, lower-order zincate and higher-order zincate derivatives of pyrrole: synthesis and structural characterisation of zinc complexes with one, two, three or four pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11945","11954","10.1039/c1dt11430a","","","0.71073","MoKα","","0.0672","0.0464","","","0.0825","0.0902","","","","","","1.058","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7019738","16.5969","0.0007","16.5969","0.0007","24.2315","0.0017","90","","90","","90","","6674.7","0.6","139","2","139","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C84 H120 Cl2 Co5 O46 Sb12 -","- C84 H84 Cl1.98 Co5 O46 Sb12 -","- C168 H168 Cl3.96 Co10 O92 Sb24 -","2","0.25","","Nicholson, Brian K.; Clark, Christopher J.; Telfer, Shane G.; Groutso, Tania","Isopolyoxometalates derived from arylstibonic acids with ""reverse-Keggin ion"" structures based on [M(RSb)(12)O(28)] cores, M = Co(ii) or Zn(ii).","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9964","9970","10.1039/c2dt30341h","","","1.54178","CuKα","","0.054","0.0459","","","0.1231","0.131","","","","","","1.046","","","","has coordinates","288261","2023-12-12","20:49:16",""
"7020494","12.9145","0.0002","12.9145","0.0002","9.8482","0.0002","90","","90","","90","","1642.53","0.05","120","2","120","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C10 H18 Co4 F5 N6 O21 P6 -","- C10 Co4 F5 N6 O21 P6 -","- C20 Co8 F10 N12 O42 P12 -","2","0.25","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71073","MoKα","","0.0683","0.0672","","","0.1974","0.1994","","","","","","1.104","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7041576","21.6421","0.0017","21.6421","0.0017","19.6862","0.0017","90","","90","","90","","9220.6","1.3","173","2","173","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C36 H140 N18 O103 S16 Y16 -","- C32 H96 N8 O85 S16 Y16 -","- C64 H192 N16 O170 S32 Y32 -","2","0.25","","Marsh, David A.; Goberna-Ferrón, Sara; Baumeister, Mary K.; Zakharov, Lev N.; Nyman, May; Johnson, Darren W.","Ln polyoxocations: yttrium oxide solution speciation & solution deposited thin films.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","947","955","10.1039/c6dt03733j","","","0.71073","MoKα","","0.1954","0.1299","","","0.3596","0.4274","","","","","","1.088","","","","has coordinates,has disorder","191651","2020-10-21","18:00:00",""
"7041577","21.6421","0.0017","21.6421","0.0017","19.6862","0.0017","90","","90","","90","","9220.6","1.3","173","2","173.15","","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C52 H156 N8 O79 S26 Y16 -","- C52 H156 N8 O79 S26 Y16 -","- C104 H312 N16 O158 S52 Y32 -","2","0.25","","Marsh, David A.; Goberna-Ferrón, Sara; Baumeister, Mary K.; Zakharov, Lev N.; Nyman, May; Johnson, Darren W.","Ln polyoxocations: yttrium oxide solution speciation & solution deposited thin films.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","947","955","10.1039/c6dt03733j","","","0.71073","MoKα","","0.1448","0.078","","","0.1947","0.2375","","","","","","1.019","","","","has coordinates,has disorder","191651","2020-10-21","18:00:00",""
"7043887","14.0127","0.0003","14.0127","0.0003","21.3415","0.0004","90","","90","","90","","4190.53","0.15","170","2","170.15","","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C100 H112 O6 P4 U -","- C92 H96 O4 P4 U -","- C184 H192 O8 P8 U2 -","2","0.25","","Sinclair, Fern; Hlina, Johann A.; Wells, Jordann A. L.; Shaver, Michael P.; Arnold, Polly L.","Ring opening polymerisation of lactide with uranium(iv) and cerium(iv) phosphinoaryloxide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02167D","","x-ray","0.71073","MoKα","","0.0357","0.0235","","","0.0495","0.0544","","","","","","1.082","","","","has coordinates","199482","2020-10-21","18:00:00",""
"7049113","11.9527","0.0003","11.9527","0.0003","17.7035","0.0007","90","","90","","90","","2529.25","0.13","173","2","173","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C64 H40 N8 O4 Zn2 -","- C64 H40 N8 O4 Zn2 -","- C128 H80 N16 O8 Zn4 -","2","0.25","","Zhang, Fan; Fluck, Audrey; Baudron, Stéphane A; Hosseini, Mir Wais","Strapping a benzaldehyde-appended 2,2'-bis-dipyrrin Zn(ii) double-stranded helicate using imine bond formation.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4105","4108","10.1039/c9dt00377k","","","0.71073","MoKα","","0.0809","0.0532","","","0.1285","0.1443","","","","","","1.05","","","","has coordinates","224281","2020-10-21","18:00:00",""
"7100247","17.074","0.002","17.074","0.002","14.606","0.003","90","","90","","90","","4257.8","1.2","293","2","293","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C50 H52 Cl N10 Ni2 O44 V16 -","- C50 H32 Cl N10 Ni2 O44 V16 -","- C100 H64 Cl2 N20 Ni4 O88 V32 -","2","0.25","","Liu, Shuxia; Xie, Linhua; Gao, Bo; Zhang, Chundan; Sun, Chunyan; Li, Dehui; Su, Zhongmin","An organic‒inorganic hybrid material constructed from a three-dimensional coordination complex cationic framework and entrapped hexadecavanadate clusters","Chemical Communications (Cambridge, United Kingdom)","2005","","40","5023","5025","10.1039/b508930a","","","","","","","","","","","","","","","","","","","","","has coordinates","210752","2020-10-21","18:00:00",""
"7100248","17.074","0.002","17.074","0.002","14.606","0.003","90","","90","","90","","4257.8","1.2","293","2","293","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C50 H52 Cl N10 Ni2 O44 V16 -","- C40 H32 Cl N8 Ni2 O38 V16 -","- C80 H64 Cl2 N16 Ni4 O76 V32 -","2","0.25","","Liu, Shuxia; Xie, Linhua; Gao, Bo; Zhang, Chundan; Sun, Chunyan; Li, Dehui; Su, Zhongmin","An organic‒inorganic hybrid material constructed from a three-dimensional coordination complex cationic framework and entrapped hexadecavanadate clusters","Chemical Communications (Cambridge, United Kingdom)","2005","","40","5023","5025","10.1039/b508930a","","","","","","","","","","","","","","","","","","","","","has coordinates","210752","2020-10-21","18:00:00",""
"7102228","18.443","0.003","18.443","0.003","15.166","0.003","90","","90","","90","","5158.5","1.4","293","2","293","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C72 H68 Cu3 Mo12 N24 O42 P -","- C72 H64 Cu3 Mo12 N24 O42 P -","- C144 H128 Cu6 Mo24 N48 O84 P2 -","2","0.25","","Wang, Xin-Long; Qin, Chao; Wang, En-Bo; Su, Zhong-Min","An unusual polyoxometalate-encapsulating 3D polyrotaxane framework formed by molecular squares threading on a twofold interpenetrated diamondoid skeleton","Chemical Communications (Cambridge, United Kingdom)","2007","","41","4245","4247","10.1039/b709563e","","","0.71073","MoKα","","0.0445","0.0337","","","0.0853","0.0894","","","","","","1.07","","","","has coordinates","210769","2020-10-21","18:00:00",""
"7103885","17.9935","0.0013","17.9935","0.0013","7.2554","0.0007","90","","90","","90","","2349.1","0.3","90","1","90","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C20 H21 F6 N5 O4.5 P -","- C20 H21 F6 N5 O4.5 P -","- C80 H84 F24 N20 O18 P4 -","4","0.5","","","The design and synthesis of non-centric diamond-like networks based NH4+ ion","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b306253h","","","0.71073","MoKα","","0.0721","0.0649","","","0.1816","0.1871","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117614","19.3474","0.0013","19.3474","0.0013","3.5013","0.0004","90","","90","","90","","1310.61","0.19","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C8 H13 Ag6 Cl N16 O -","- C8 H13 Ag6 Cl N16 O -","- C16 H26 Ag12 Cl2 N32 O2 -","2","0.25","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.115","0.1009","","","0.171","0.1779","","","","","","1.039","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7117618","19.455","0.002","19.455","0.002","3.5339","0.0004","90","","90","","90","","1337.6","0.2","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C8 H13 Ag6 Br N16 O -","- C8 H13 Ag6 Br N16 O -","- C16 H26 Ag12 Br2 N32 O2 -","2","0.25","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.1155","0.1017","","","0.2501","0.2584","","","","","","1.068","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7122608","9.7375","0.001","9.7375","0.001","15.684","0.002","90","","90","","90","","1487.1","0.3","105","2","105","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C38 H22 N10 O0.84 Si -","- C38 H22 N10 O0.84 Si -","- C76 H44 N20 O1.68 Si2 -","2","0.25","","Kocherga, Margaret; Castaneda, Jose; Walter, Michael G.; Zhang, Yong; Saleh, Nemah-Allah; Wang, Le; Jones, Daniel S.; Merkert, Jon; Donovan-Merkert, Bernadette; Li, Yanzeng; Hofmann, Tino; Schmedake, Thomas A.","Si(bzimpy)<sub>2</sub> - a hexacoordinate silicon pincer complex for electron transport and electroluminescence.","Chemical communications (Cambridge, England)","2018","54","100","14073","14076","10.1039/c8cc07681b","","x-ray","0.71073","MoKα","","0.0859","0.0783","","","0.1626","0.1665","","","","","","1.195","","","","has coordinates","228522","2020-10-21","18:00:00",""
"7128062","26.025","0.008","26.025","0.008","12.283","0.005","90","","90","","90","","8319","5","273","2","273","2","","","","","","","","3","P -4 n 2","P -4 -2n","118","","","","- C148 H120 S16 -","- C148 H120 S16 -","- C296 H240 S32 -","2","0.25","","Basavarajappa, Ashokkumar; Ambhore, Madan D.; Anand, Venkataramanarao G.","Three dimensional isophlorinoid tetrapodal molecular cage.","Chemical communications (Cambridge, England)","2021","57","35","4299","4302","10.1039/d1cc01002f","","","0.71073","MoKα","","0.1277","0.095","","","0.2524","0.2857","","","","","","1.038","","","","has coordinates","264887","2021-05-05","08:10:25",""
"7132522","23.5856","0.0015","23.5856","0.0015","7.525","0.0004","90","","90","","90","","4186","0.4","150","","150","","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C49 H44 N8 O8 -","- C49 H44 N8 O8 -","- C98 H88 N16 O16 -","2","0.25","","Muang-Non, Phonlakrit; Zhou, Carmen; Macreadie, Lauren K.; White, Nicholas G.","Hydrogen-bonded frameworks containing aliphatic 3D linkers show high-capacity water vapour sorption.","Chemical communications (Cambridge, England)","2024","60","6","746","749","10.1039/d3cc05286a","","","1.54184","CuKα","","0.0968","0.077","","","0.2132","0.2342","","","","","","1.014","","","","has coordinates","289357","2024-02-04","11:13:36",""
"7152524","13.994","0.002","13.994","0.002","14.223","0.003","90","","90","","90","","2785.3","0.8","100","2","100","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C52 H72 Ag F6 O4 P Se4 -","- C52 H72 Ag F6 O4 P Se4 -","- C104 H144 Ag2 F12 O8 P2 Se8 -","2","0.25","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","0.71073","MoKα","","0.1032","0.0512","","","0.0887","0.0937","","","","","","0.988","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7207319","9.0582","0.0001","9.0582","0.0001","12.566","0.0002","90","","90","","90","","1031.05","0.02","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C4 H12 Cu N6 O6 -","- C4 H12 Cu N6 O6 -","- C16 H48 Cu4 N24 O24 -","4","0.5","","Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.","The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n","Journal of Materials Chemistry","2012","22","5","2074","","10.1039/c2jm15206a","","","0.71073","MoKα","","0.0342","0.033","","","0.0973","0.098","","","","","","1.16","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207320","8.9664","0.0003","8.9664","0.0003","12.3548","0.0003","90","","90","","90","","993.28","0.05","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C4 H12 Cu N6 O6 -","- C4 H12 Cu N6 O6 -","- C16 H48 Cu4 N24 O24 -","4","0.5","","Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.","The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n","Journal of Materials Chemistry","2012","22","5","2074","","10.1039/c2jm15206a","","x-ray","0.71073","MoKα","","0.0714","0.0569","","","0.1386","0.1498","","","","","","1.099","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207321","8.8645","0.0003","8.8645","0.0003","12.1191","0.0003","90","","90","","90","","952.31","0.05","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C4 H12 Cu N6 O6 -","- C4 H12 Cu N6 O6 -","- C16 H48 Cu4 N24 O24 -","4","0.5","","Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.","The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n","Journal of Materials Chemistry","2012","22","5","2074","","10.1039/c2jm15206a","","x-ray","0.71073","MoKα","","0.0893","0.0742","","","0.1945","0.2061","","","","","","1.385","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207322","8.8048","0.0002","8.8048","0.0002","12.031","0.0002","90","","90","","90","","932.7","0.03","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C4 H12 Cu N6 O6 -","- C4 H12 Cu N6 O6 -","- C16 H48 Cu4 N24 O24 -","4","0.5","","Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.","The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n","Journal of Materials Chemistry","2012","22","5","2074","","10.1039/c2jm15206a","","x-ray","0.71073","MoKα","","0.1045","0.0884","","","0.2416","0.2658","","","","","","1.145","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7210652","10.1598","0.0002","10.1598","0.0002","14.4082","0.0005","90","","90","","90","","1487.24","0.07","293","2","293","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C14 H12 N10 Zn -","- C14 H12 N10 Zn -","- C56 H48 N40 Zn4 -","4","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0316","0.0241","","","0.0613","0.0653","","","","","","1.047","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7220451","9.2862","0.0002","9.2862","0.0002","8.3796","0.0004","90","","90","","90","","722.6","0.04","296","2","296","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- Ca K4 O14 Si4 U -","- Ca K4 O14 Si4 U -","- Ca2 K8 O28 Si8 U2 -","2","0.25","","Morrison, Gregory; Smith, Mark D.; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Synthesis and structure of the new pentanary uranium(vi) silicate, K4CaUSi4O14, a member of a structural family related to fresnoite","CrystEngComm","2015","17","22","4218","","10.1039/C5CE00504C","","","0.71073","MoKα","","0.0321","0.027","","","0.0637","0.0664","","","","","","1.066","","","","has coordinates","138514","2020-10-21","18:00:00",""
"7239273","9.5268","0.0006","9.5268","0.0006","23.401","0.003","90","","90","","90","","2123.9","0.3","273","2","273","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C6.25 H6 Cu0.25 N O1.5 -","- C6.25 H6 Cu0.25 N O1.5 -","- C50 H48 Cu2 N8 O12 -","8","1","","Yang, Weiting; Yi, Fei-Yan; Li, Xiao-Dong; Wang, Lei; Dang, Song; Sun, Zhong-Ming","Construction of Cu(ii) coordination polymers based on semi-rigid tetrahedral pyridine ligands","RSC Advances","2013","3","47","25065","","10.1039/c3ra44348e","","","0.71073","MoKα","","0.0624","0.0413","","","0.1038","0.1095","","","","","","0.969","","","","has coordinates","244629","2020-10-21","18:00:00",""
"7708480","11.9767","0.0002","11.9767","0.0002","19.3408","0.0004","90","","90","","90","","2774.27","0.09","150","2","150","2","","","","","","","","3","P -4 n 2","P -4 -2n","118","","","","- C60 H80 P4 -","- C60 H80 P4 -","- C120 H160 P8 -","2","0.25","","Siewert, Jan-Erik; Schumann, André; Hering-Junghans, Christian","Phosphine-catalysed reductive coupling of Dihalophosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT03095G","","","0.71073","MoKα","","0.0418","0.0357","","","0.0897","0.0951","","","","","","1.048","","","","has coordinates,has disorder","269386","2021-09-29","23:16:01",""
"7708484","19.3851","0.0005","19.3851","0.0005","32.649","0.0015","90","","90","","90","","12268.9","0.7","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C272 H256 Cd3 N48 O16 Sm2 -","- C272 H256 Cd3 N48 O16 Sm2 -","- C544 H512 Cd6 N96 O32 Sm4 -","2","0.25","","Liu, Chao; Yang, Wei; Wang, Jingjing; Ding, Xu; Ren, Huimin; Chen, Yuxiang; Xie, Zheng; Sun, Tingting; Jiang, Jianzhuang","A sextuple-decker heteroleptic phthalocyanine heterometallic samarium‒cadmium complex with crystal structure and nonlinear optical properties in solution and gel glass","Dalton Transactions","2021","","","","","10.1039/D1DT02963K","","","1.54178","CuKα","","0.127","0.0707","","","0.183","0.2222","","","","","","0.939","","","","has coordinates,has disorder","269411","2021-09-30","23:05:56",""
"7709275","14.3048","0.0004","14.3048","0.0004","9.9886","0.0006","90","","90","","90","","2043.94","0.15","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C32 H60 Li2 N4 O4 P2 -","- C32 H60 Li2 N4 O4 P2 -","- C64 H120 Li4 N8 O8 P4 -","2","0.25","","Zhao, Minggang; Xue, Tingting; He, Ru-Ru; Ma, Jianping; Zheng, Wenjun","Ion-bearing stairs: alkali metal complexes of 1,2-diaza-4-phospholides.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1634","1645","10.1039/d1dt03601g","","x-ray","0.71073","MoKα","","0.073","0.0577","","","0.1553","0.1666","","","","","","1.05","","","","has coordinates","272694","2022-02-04","19:48:13",""
"7710588","13.0676","0.0007","13.0676","0.0007","16.7235","0.0012","90","","90","","90","","2855.7","0.3","149.76","","149.76","","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C26.5 H14 B2 Cl2 F10 N2 O4 -","- C26.5 H14 B2 Cl2 F10 N2 O4 -","- C106 H56 B8 Cl8 F40 N8 O16 -","4","0.5","","Yeung, Jason; Becker, Matthias; Stephan, Douglas W.","Towards macrocyclic frustrated Lewis pairs","Dalton Transactions","2022","","","","","10.1039/D2DT01716D","","","0.71073","MoKα","","0.0848","0.0385","","","0.0757","0.098","","","","","","1.1476","","","","has coordinates","276212","2022-06-23","23:18:59",""
"9012288","8.73","","8.73","","5.03","","90","","90","","90","","383.351","","","","","","","","","","","","Synthetic","1","P -4 n 2","P -4 -2n","118","Boron","","Boron","- B -","- B -","- B52 -","52","6.5","","Hoard, J. L.; Geller, S.; Hughes, R. E.","On the structure of elementary boron","Journal of the American Chemical Society","1951","73","","1892","1893","10.1021/ja01148a555","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""