# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T10:51:22+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'F d -3 c :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
"1010658","27.86","","27.86","","27.86","","90","","90","","90","","21624.4","","","","","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","Heptasodium bis(phosphate) fluoride 19-hydrate","","- F H38 Na7 O27 P2 -","","","40","0.208333","","Neumann, E W","Roentgenographische Untersuchung an Natriumfluorophosphat","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","86","","298","300","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1508098","74.972","0.002","74.972","0.002","74.972","0.002","90","","90","","90","","421403","19","90","2","90","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C80 H64.5 Co N14.5 S2 -","- C80 H64.5 Co N14.5 S2 -","- C15360 H12384 Co192 N2784 S384 -","192","1","","Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto","Networked molecular cages as crystalline sponges for fullerenes and other guests.","Nature chemistry","2010","2","9","780","783","10.1038/nchem.742","","","0.71073","MoKα","","0.1916","0.1479","","","0.3883","0.4544","","","","","","1.945","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1534373","15.68","","15.68","","15.68","","90","","90","","90","","3855.12","","","","","","","","","","","","","3","F d -3 c :2","-F 4ud 2vw 3","228","","Te (O H)6","","- H6 O6 Te -","- H6 O6 Te -","- H192 O192 Te32 -","32","0.166667","","Cohen-Addad, C.","Etude du compose Te (O H)6 par diffraction des neutrons","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1971","94","","172","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536061","22.379","","22.379","","22.379","","90","","90","","90","","11207.8","","","","","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","(Co (N H3)6) (Cd Cl5)","","- Cd Cl5 Co H18 N6 -","- Cd Cl5 Co H18 N6 -","- Cd32 Cl160 Co32 H576 N192 -","32","0.166667","","Epstein, E.F.; Bernal, I.","Crystal structure of hexa-amminecobalt(III) pentachlorocadmate(II)","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1971","1971","","3628","3631","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536089","21.136","","21.136","","21.136","","90","","90","","90","","9442.1","","","","","","","","","","","","","2","F d -3 c :2","-F 4ud 2vw 3","228","","Te7 (Te2.52 Si5.48) Si12","","- Si17.48 Te9.52 -","- Si17.48 Te9.52 -","- Si279.68 Te152.32 -","16","0.0833333","","Jaussaud, N.; Pouchard, M.; Cros, C.; Goglio, G.; Ammar, A.; Weill, F.; Gravereau, P.","High pressure synthesis and structure of a novel clathrate-type compound: Te7+x Si20-x (x = 2.5)","Solid State Sciences","2003","5","","1193","1200","","","","","","","","","","","","","","","","","","","","","","has coordinates","163684","2020-10-21","18:00:00",""
"1553093","58.3972","0.0004","58.3972","0.0004","58.3972","0.0004","90","","90","","90","","199148","2","150","2","150","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C41 H53 Cl17 Mo2 N4 O4 -","- C41 H53 Cl17 Mo2 N4 O4 -","- C3936 H5088 Cl1632 Mo192 N384 O384 -","96","0.5","","Gomes, Ana C.; Neves, Patrícia; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Oxidomolybdenum complexes for acid catalysis using alcohols as solvents and reactants","Catalysis Science & Technology","2016","6","13","5207","","10.1039/C5CY02052B","","","0.71073","MoKα","","0.0843","0.0545","","","0.1472","0.1751","","","","","","1.082","","","","has coordinates","233426","2020-10-21","18:00:00",""
"2020223","22.085","","22.085","","22.085","","90","","90","","90","","10771.9","","","","","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","(Co (N H3)6) (Cu Cl5)","","- Cl5 Co Cu H18 N6 -","- Cl5 Co Cu H18 N6 -","- Cl160 Co32 Cu32 H576 N192 -","32","0.166667","","Aoyama, T.; Ohba, S.; Saito, Y.; Bernal, I.","Phase transition of hexaamminecobalt(III) pentchlorocuprate(II)","Acta Crystallographica C (39,1983-)","1992","48","","246","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106714","21.81","","21.81","","21.81","","90","","90","","90","","10374.5","","","","","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","Co (N H3)6 Cu0.72 Cu0.28 Cl5","","- Cl5 Co Cu H18 N6 -","- Cl5 Co Cu1.04 N6 -","- Cl160 Co32 Cu33.28 N192 -","32","0.166667","","Murray-Rust, P.","X-ray crystallographic investigation of the mixed-valence hexaamminocobalt(iii) chlorocuprates(i, ii).","Acta Crystallographica B (24,1968-38,1982)","1975","31","","978","981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4073866","50.627","0.01","50.627","0.01","50.627","0.01","90","","90","","90","","129762","4","293","2","293","2","","","","","","","","7","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C108 H114 F18 Ir6 N12 O30 S6 -","- C103 H114 F3 Ir6 N12 O15 S -","- C3296 H3648 F96 Ir192 N384 O480 S32 -","32","0.166667","","Han, Ying-Feng; Lin, Yue-Jian; Jia, Wei-Guo; Weng, Lin-Hong; Jin, Guo-Xin","Stepwise Formation of Tetra- and Hexanuclear Iridium and Rhodium Complexes Containing Oxalato Ligands","Organometallics","2007","26","24","5848","","10.1021/om700691u","","","0.71073","MoKα","","0.101","0.0604","","","0.1376","0.1516","","","","","","1.01","","","","has coordinates,has disorder","178627","2020-10-21","18:00:00",""
"4107204","74.992","0.003","74.992","0.003","74.992","0.003","90","","90","","90","","421740","3","90","2","90","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C58.65 H45.93 Co N12.72 O2.72 S2 -","- C58.724 H45.997 Co N12.727 O2.727 S2 -","- C11275 H8831.42 Co192 N2443.58 O523.584 S384 -","192","1","","Yasuhide Inokuma; Nodoka Kojima; Tatsuhiko Arai; Makoto Fujita","Bimolecular Reaction via the Successive Introduction of Two Substrates into the Crystals of Networked Molecular Cages","Journal of the American Chemical Society","2011","133","","19691","19693","10.1021/ja209290t","","","0.71073","MoKα","","0.1747","0.1581","","","0.3892","0.3986","","","","","","2.894","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4112285","28.9057","0.0004","28.9057","0.0004","28.9057","0.0004","90","","90","","90","","24151.9","0.6","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 Co6 N25 Na3 O38 -","- C23.96 H48 Co6 N25 Na3 O37.98 -","- C383.36 H768 Co96 N400 Na48 O607.68 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0355","0.0257","","","0.0922","0.1048","","","","","","1.144","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112286","29.0191","0.0007","29.0191","0.0007","29.0191","0.0007","90","","90","","90","","24437.2","1","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 Fe6 N25 Na3 O38 -","- C24.02 H48 Fe6 N25 Na3 O37.98 -","- C384.32 H768 Fe96 N400 Na48 O607.68 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0647","0.0511","","","0.1763","0.1967","","","","","","1.133","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112288","28.778","0.0011","28.778","0.0011","28.778","0.0011","90","","90","","90","","23833.2","1.6","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 N25 Na3 Ni6 O38 -","- C24.02 H48 N25 Na3 Ni6 O37.98 -","- C384.32 H768 N400 Na48 Ni96 O607.68 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0739","0.0644","","","0.157","0.1625","","","","","","1.352","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112289","28.9736","0.0012","28.9736","0.0012","28.9736","0.0012","90","","90","","90","","24322.5","1.7","293","2","566","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 N25 Na3 O38 Zn6 -","- C24.08 H48 N25 Na3 O37.98 Zn6 -","- C385.28 H768 N400 Na48 O607.68 Zn96 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0683","0.0306","","","0.0919","0.1132","","","","","","1.013","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4114194","36.004","0.0005","36.004","0.0005","36.004","0.0005","90","","90","","90","","46671.6","1.1","129","","293","2","","","","","","","synthetic","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C33 H68 Cl18 N2 W6 -","- C33 H54 Cl18 N2 W6 -","- C1056 H1728 Cl576 N64 W192 -","32","0.166667","","Eric J. Welch; Nathan R. M. Crawford; Robert G. Bergman; Jeffrey R. Long","New Routes to Transition Metal-Carbido Species: Synthesis and Characterization of the Carbon-Centered Trigonal Prismatic Clusters [W6CCl18]n- (n= 1, 2, 3)","Journal of the American Chemical Society","2003","125","","11464","11465","10.1021/ja035962v","","","0.71073","MoKα","","0.0547","0.0428","","0.1142","0.1032","","","","1.126","1.131","1.131","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4301077","50.004","0.002","50.004","0.002","50.004","0.002","90","","90","","90","","125030","9","173","2","173","2","","","","","","","","7","F d -3 c :2","-F 4ud 2vw 3","228","(Cp*2Co) Ga4L6 complex","","","- C204 H174 Co3 Ga4 K9 N12 O36 -","- C207 H84 Co3 Ga4 K1.98 N12 O41 -","- C3312 H1344 Co48 Ga64 K31.68 N192 O656 -","16","0.0833333","","Michael D. Pluth; Darren W. Johnson; Géza Szigethy; Anna V. Davis; Simon J. Teat; Allen G. Oliver; Robert G. Bergman; Kenneth N. Raymond","Structural Consequences of Anionic Host-Cationic Guest Interactions in a Supramolecular Assembly","Inorganic Chemistry","2009","48","","111","120","10.1021/ic8012848","","","0.7749","synchrotron","","0.2242","0.1469","","","0.3666","0.4067","","","","","","1.195","","","","has coordinates,has disorder","179048","2020-10-21","18:00:00",""
"4302238","36.0387","0.0006","36.0387","0.0006","36.0387","0.0006","90","","90","","90","","46806.6","1.3","90","2","90","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","[Cu3(OH)3(4-pt)3(DMF)4].5DMF.3MeOH","","","- C48 H90 Cu3 N24 O15 -","- C18 H12 Cu3 N15 O2 -","- C576 H384 Cu96 N480 O64 -","32","0.166667","","Wayne Ouellette; Hongxue Liu; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of Copper(II) Tetrazolates: Anion Control of Frameworks Constructed from Trinuclear Copper(II) Building Blocks","Inorganic Chemistry","2009","48","","4655","4657","10.1021/ic9003802","","x-ray","0.71073","MoKα","","0.0965","0.0832","","","0.2068","0.2235","","","","","","1.135","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4308104","25.9723","0.0006","25.9723","0.0006","25.9723","0.0006","90","","90","","90","","17519.9","0.7","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C12 H21 Co1.5 O19.5 Sm -","- C12 H18 Co1.5 O19.5 Sm -","- C384 H576 Co48 O624 Sm32 -","32","0.166667","","Ying Wang; Peng Cheng; Jun Chen; Dai-Zheng Liao; Shi-Ping Yan","A Heterometallic Porous Material for Hydrogen Adsorption","Inorganic Chemistry","2007","46","","4530","4534","10.1021/ic070097r","","","0.71073","MoKα","","0.0573","0.0316","","","0.0741","0.0982","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316801","83.135","0.002","83.135","0.002","83.135","0.002","90","","90","","90","","574582","2","150","2","150","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","trisaquohepta{tris(allyl)cyclotriguaiacylene}nonasilver(I) - hexafluoroantimonate tris(allyl)cyclotriguaiacylene clathrate","","- C264 H315 Ag9 F54 O61.5 Sb9 -","- C264 H273 Ag9 F54.06 O61.5 Sb9.01 -","- C16896 H17472 Ag576 F3459.84 O3936 Sb576.64 -","64","0.333333","","Marc A. Little; Malcolm A. Halcrow; Lindsay P. Harding; Michaele J. Hardie","Ag(I) Organometallic Coordination Polymers and Capsule with Tris-Allyl Cyclotriveratrylene Derivatives","Inorganic Chemistry","2010","49","","9486","9496","10.1021/ic101211n","","","0.71073","MoKα","","0.1877","0.124","","","0.3436","0.3817","","","","","","2.437","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4321056","49.678","0.008","49.678","0.008","49.678","0.008","90","","90","","90","","122601","3","213","2","213","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","Bis{phenyldi(2-mercaptophenyl)phosphine}gold(I,III)","","- C37 H28 Au2 Cl2 P2 S4 -","- C37 H28 Au2 Cl2 P2 S4 -","- C3552 H2688 Au192 Cl192 P192 S384 -","96","0.5","","Kirstin Ortner; Louise Hilditch; Yifan Zheng; Jonathan R. Dilworth; Ulrich Abram","Gold Complexes with Potentially Tri- and Tetradentate Phosphinothiolate Ligands","Inorganic Chemistry","2000","39","","2801","2806","10.1021/ic000015y","","","0.71073","MoKα","","0.1128","0.0582","","","0.139","0.1585","","","","","","0.913","","","","has coordinates,has disorder","179313","2020-10-21","18:00:00",""
"4332149","24.644","0.003","24.644","0.003","24.644","0.003","90","","90","","90","","14967","3","294","2","294","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C6 H13 Cu3 N9 O8 -","- C6 H6 Cu3 N9 O8 -","- C192 H192 Cu96 N288 O256 -","32","0.166667","","Ding, Bin; Yi, Long; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis and Characterization of a 3D Coordination Polymer Based on Trinuclear Triangular CuIIas Secondary Building Units","Inorganic Chemistry","2006","45","15","5799","5803","10.1021/ic060030o","","","0.71073","MoKα","","0.0433","0.0378","","","0.1152","0.1183","","","","","","1.218","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4342768","25.9261","0.0011","25.9261","0.0011","25.9261","0.0011","90","","90","","90","","17426.6","1.3","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C48 H78 Cd4 Mn2 O75 Yb4 -","- C48 H78 Cd4 Mn2 O75 Yb4 -","- C384 H624 Cd32 Mn16 O600 Yb32 -","8","0.0416667","","Wang, Ying; Wang, Xiu-Guang; Yuan, Bin; Shao, Cheng-Yuan; Chen, Yuan-Yuan; Zhou, Bing-Bing; Li, Ming-Shu; An, Xiao-Mai; Cheng, Peng; Zhao, Xiao-Jun","Cation-Exchange Porosity Tuning in a Dynamic 4d-4f-3d Framework for Ni(II) Ion-Selective Luminescent Probe.","Inorganic chemistry","2015","54","9","4456","4465","10.1021/acs.inorgchem.5b00217","","","0.71073","MoKα","","0.0807","0.0592","","","0.2248","0.2538","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343182","25.9261","0.0011","25.9261","0.0011","25.9261","0.0011","90","","90","","90","","17426.6","1.3","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C48 H78 Cd4 O75 Yb4 Zn2 -","- C48 H78 Cd4 O75 Yb4 Zn2 -","- C384 H624 Cd32 O600 Yb32 Zn16 -","8","0.0416667","","Wang, Ying; Wang, Xiu-Guang; Yuan, Bin; Shao, Cheng-Yuan; Chen, Yuan-Yuan; Zhou, Bing-Bing; Li, Ming-Shu; An, Xiao-Mai; Cheng, Peng; Zhao, Xiao-Jun","Cation-Exchange Porosity Tuning in a Dynamic 4d-4f-3d Framework for Ni(II) Ion-Selective Luminescent Probe.","Inorganic chemistry","2015","54","9","4456","4465","10.1021/acs.inorgchem.5b00217","","","0.71073","MoKα","","0.0672","0.0527","","","0.215","0.2481","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343685","22.24","","22.24","","22.24","","90","","90","","90","","11000.3","","","","","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","(Cr (N H3)6) (Cu Cl5)","","- Cl5 Cr Cu H18 N6 -","- Cl5 Cr Cu H18 N6 -","- Cl160 Cr32 Cu32 H576 N192 -","32","0.166667","","Raymond, K.N.; Meek, D.W.; Ibers, J.A.","The structure of hexaamminechromium(III) pentachlorocuprate(II), (Cr (N H3)6) (Cu Cl5)","Inorganic Chemistry","1968","7","","1111","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344295","23.042","","23.042","","23.042","","90","","90","","90","","12233.8","","","","","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","(Cr (N H3)6) (Cu Br5)","","- Br5 Cr Cu H18 N6 -","- Br5 Cr Cu H18 N6 -","- Br160 Cr32 Cu32 H576 N192 -","32","0.166667","","Goldfield, S.A.; Raymond, K.N.","Axial bond length contraction in Cu X5 complexes. the structures of hexaamminechromium(III)pentabromocuprate(II) and hexaamminechromium(III)tribromodichlorocuprate(II)","Inorganic Chemistry","1971","10","","2604","2607","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4346316","26.012","0.003","26.012","0.003","26.012","0.003","90","","90","","90","","17600","4","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","bis-tetramethylammonium hexachloroplutonate(IV)","","","- C8 H24 Cl6 N2 Pu -","- C7.98 H18 Cl6 N2 Pu -","- C255.36 H576 Cl192 N64 Pu32 -","32","0.166667","","Wilson, Richard E.","Structure, Phase Transitions, and Isotope Effects in [(CH3)4N]2PuCl6.","Inorganic chemistry","2015","54","21","10208","10213","10.1021/acs.inorgchem.5b01288","","","0.71073","MoKα","","0.0821","0.0411","","","0.0673","0.0912","","","","","","1.084","","","","has coordinates","231725","2020-10-21","18:00:00",""
"4346317","25.713","0.002","25.713","0.002","25.713","0.002","90","","90","","90","","17000","2","125","2","125","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","bis-tetramethylammonium hexachloroplutonate(IV)","","","- C8 H24 Cl6 N2 Pu -","- C7.98 H18 Cl6 N2 Pu -","- C255.36 H576 Cl192 N64 Pu32 -","32","0.166667","","Wilson, Richard E.","Structure, Phase Transitions, and Isotope Effects in [(CH3)4N]2PuCl6.","Inorganic chemistry","2015","54","21","10208","10213","10.1021/acs.inorgchem.5b01288","","","0.71073","MoKα","","0.0618","0.0475","","","0.1172","0.1339","","","","","","1.149","","","","has coordinates","231725","2020-10-21","18:00:00",""
"4348832","36.963","0.003","36.963","0.003","36.963","0.003","90","","90","","90","","50501","7","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C120 H12 Ag12 F72 N24 -","- C119.976 H12 Ag12 F72 N24 -","- C1919.62 H192 Ag192 F1152 N384 -","16","0.0833333","","Jayaratna, Naleen B.; Olmstead, Marilyn M.; Kharisov, Boris I.; Dias, H. V. Rasika","Coinage Metal Pyrazolates [(3,5-(CF3)2Pz)M]3 (M = Au, Ag, Cu) as Buckycatchers.","Inorganic chemistry","2016","55","17","8277","8280","10.1021/acs.inorgchem.6b01709","","","0.71073","MoKα","","0.0412","0.0387","","","0.0928","0.0957","","","","","","1.109","","","","has coordinates,has disorder","233416","2020-10-21","18:00:00",""
"4348833","36.34","0.003","36.34","0.003","36.34","0.003","90","","90","","90","","47990","7","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C120 H12 Cu12 F72 N24 -","- C119.976 H12 Cu12 F72 N24 -","- C1919.62 H192 Cu192 F1152 N384 -","16","0.0833333","","Jayaratna, Naleen B.; Olmstead, Marilyn M.; Kharisov, Boris I.; Dias, H. V. Rasika","Coinage Metal Pyrazolates [(3,5-(CF3)2Pz)M]3 (M = Au, Ag, Cu) as Buckycatchers.","Inorganic chemistry","2016","55","17","8277","8280","10.1021/acs.inorgchem.6b01709","","","0.71073","MoKα","","0.073","0.0725","","","0.1507","0.151","","","","","","1.248","","","","has coordinates,has disorder","233417","2020-10-21","18:00:00",""
"4348834","36.823","0.006","36.823","0.006","36.823","0.006","90","","90","","90","","49930","14","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C120 H12 Au12 F72 N24 -","- C119.976 H12 Au12 F72 N24 -","- C1919.62 H192 Au192 F1152 N384 -","16","0.0833333","","Jayaratna, Naleen B.; Olmstead, Marilyn M.; Kharisov, Boris I.; Dias, H. V. Rasika","Coinage Metal Pyrazolates [(3,5-(CF3)2Pz)M]3 (M = Au, Ag, Cu) as Buckycatchers.","Inorganic chemistry","2016","55","17","8277","8280","10.1021/acs.inorgchem.6b01709","","","0.71073","MoKα","","0.0366","0.0257","","","0.0582","0.0702","","","","","","1.306","","","","has coordinates,has disorder","233418","2020-10-21","18:00:00",""
"4350644","25.7619","0.0001","25.7619","0.0001","25.7619","0.0001","90","","90","","90","","17097.5","0.11","296","2","296","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Gd2 O42 -","- C24 H30 Co3 Gd2 O42 -","- C384 H480 Co48 Gd32 O672 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0728","0.0359","","","0.0996","0.1217","","","","","","1.04","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350645","25.6617","0.0005","25.6617","0.0005","25.6617","0.0005","90","","90","","90","","16898.8","0.6","296","2","296","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Dy2 O42 -","- C24 H30 Co3 Dy2 O42 -","- C384 H480 Co48 Dy32 O672 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0524","0.0398","","","0.1175","0.1368","","","","","","1.003","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350646","25.5382","0.0008","25.5382","0.0008","25.5382","0.0008","90","","90","","90","","16656","0.9","296","2","296","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Er2 O42 -","- C24 H30 Co3 Er2 O42 -","- C384 H480 Co48 Er32 O672 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0378","0.027","","","0.0781","0.0877","","","","","","1.082","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350652","26.2522","0.0013","26.2522","0.0013","26.2522","0.0013","90","","90","","90","","18092.4","1.6","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H39 Cd3 Dy2 O42 -","- C24 H39 Cd3 Dy2 O42 -","- C384 H624 Cd48 Dy32 O672 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.1111","0.0675","","","0.1952","0.2555","","","","","","1.018","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350653","26.179","0.003","26.179","0.003","26.179","0.003","90","","90","","90","","17942","4","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Cd3 Ho2 O48 -","- C24 H30 Cd3 Ho2 O48 -","- C384 H480 Cd48 Ho32 O768 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0914","0.0519","","","0.133","0.194","","","","","","1.018","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350654","26.16","0.003","26.16","0.003","26.16","0.003","90","","90","","90","","17902","4","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H36 Cd3 Er2 O48 -","- C24 H36 Cd3 Er2 O48 -","- C384 H576 Cd48 Er32 O768 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.1013","0.0547","","","0.1641","0.2379","","","","","","1.087","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350655","26.124","0.003","26.124","0.003","26.124","0.003","90","","90","","90","","17829","4","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H36 Cd3 O48 Tm2 -","- C24 H36 Cd3 O48 Tm2 -","- C384 H576 Cd48 O768 Tm32 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0792","0.0499","","","0.1566","0.226","","","","","","1.035","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350656","26.026","0.002","26.026","0.002","26.026","0.002","90","","90","","90","","17629","2","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H36 Cd3 Lu2 O48 -","- C24 H36 Cd3 Lu2 O48 -","- C384 H576 Cd48 Lu32 O768 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.1075","0.064","","","0.1853","0.2778","","","","","","1.043","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4504675","33.585","0.002","33.585","0.002","33.585","0.002","90","","90","","90","","37882","4","293","2","293","2","","","","","","","","3","F d -3 c :2","-F 4ud 2vw 3","228","","3,3,5,5-Tetrakis(3-pyridyl)bimesityl","","- C38 H34 N4 -","- C38 H34 N4 -","- C1824 H1632 N192 -","48","0.25","","Moorthy, Jarugu Narasimha; Natarajan, Ramalingam; Savitha, Govardhan; Venugopalan, Paloth","Influence of Weaker Interactions on the Self-Assembly of Rigid Molecular Scaffolds Based on Tetraarylbimesityls","Crystal Growth & Design","2006","6","4","919","","10.1021/cg0504410","","","0.71073","MoKα","","0.197","0.066","","","0.1401","0.1776","","","","","","1.01","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4507533","36.3142","0.0019","36.3142","0.0019","36.3142","0.0019","90","","90","","90","","47888","4","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C20 H16 N4 O4 Zn -","- C20 H16 N4 O4 Zn -","- C1920 H1536 N384 O384 Zn96 -","96","0.5","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0972","0.0627","","","0.1725","0.1867","","","","","","1.094","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4509722","35.0242","0.0016","35.0242","0.0016","35.0242","0.0016","90","","90","","90","","42964","3","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C48.5 H72 Cl2 N12 O6 -","- C48.5 H72 Cl2 N12 O6 -","- C1552 H2304 Cl64 N384 O192 -","32","0.166667","","Li, Yitao; Li, Lin; Zhu, Yanping; Meng, Xianggao; Wu, Anxin","Solvent Effect on Pseudopolymorphism of Hemicyclohexylcucurbit[6]uril","Crystal Growth & Design","2009","9","10","4255","","10.1021/cg9007262","","","0.71073","MoKα","","0.1191","0.0856","","","0.243","0.2639","","","","","","1.014","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4509723","34.9968","0.0013","34.9968","0.0013","34.9968","0.0013","90","","90","","90","","42863","3","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C129.33 H192 Cl4 N32 O16 -","- C129.333 H192 Cl4 N32 O16 -","- C1552 H2304 Cl48 N384 O192 -","12","0.0625","","Li, Yitao; Li, Lin; Zhu, Yanping; Meng, Xianggao; Wu, Anxin","Solvent Effect on Pseudopolymorphism of Hemicyclohexylcucurbit[6]uril","Crystal Growth & Design","2009","9","10","4255","","10.1021/cg9007262","","","0.71073","MoKα","","0.098","0.0697","","","0.1997","0.2174","","","","","","1.096","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4511458","24.82","0.0005","24.82","0.0005","24.82","0.0005","90","","90","","90","","15289.9","0.5","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C12 H44 Cu6 N18 O19 -","- C12 H12 Cu6 N18 O19 -","- C192 H192 Cu96 N288 O304 -","16","0.0833333","","Zhai, Quan-Guo; Lu, Can-Zhong; Chen, Shu-Mei; Xu, Xin-Jiang; Yang, Wen-Bin","Design of Novel Three-Dimensional Coordination Polymers Based on Triangular Trinuclear Copper 1,2,4-Triazolate Units","Crystal Growth & Design","2006","6","6","1393","","10.1021/cg0600142","","","0.71073","MoKα","","0.0557","0.0557","","","0.141","0.141","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006134","50.159","0.006","50.159","0.006","50.159","0.006","90","","90","","90","","126196","3","173","2","173","2","","","","","","","","7","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C108 H114 F18 Ir6 N12 O30 S6 -","- C102 H114 Ir6 N12 O12 -","- C3264 H3648 Ir192 N384 O384 -","32","0.166667","","Govindaswamy, Padavattan; Linder, David; Lacour, Jérôme; Süss-Fink, Georg; Therrien, Bruno","Chiral or not chiral? A case study of the hexanuclear metalloprisms [Cp(6)M(6)(micro(3)-tpt-kappaN)(2)(micro-C2O4-kappaO)(3)]6+ (M = Rh, Ir, tpt = 2,4,6-tri(pyridin-4-yl)-1,3,5-triazine).","Dalton transactions (Cambridge, England : 2003)","2007","","39","4457","4463","10.1039/b709247d","","","0.71073","MoKα","","0.1076","0.0536","","","0.1284","0.1435","","","","","","0.812","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007420","30.0968","0.0012","30.0968","0.0012","30.0968","0.0012","90","","90","","90","","27262.2","1.9","213","2","213","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","Hexachloro Dihydroxo Tetraaqua mu-3-Hydroxotricopper(ii) mu-3- Oxotricopper(ii) Complex with 4,4'-(1,2,4-bitriazole), Chloride Semihydrate","Hexachloro Dihydroxo Tetraaqua mu-3-Hydroxotricopper(II) mu-3-Oxotricopper(II) Complex with 4,4'-(1,2,4-bitriazole), Chloride Semihydrate","","- C12 H24 Cl7 Cu6 N18 O8.5 -","- C12 H22 Cl7 Cu6 N18 O8.5 -","- C384 H704 Cl224 Cu192 N576 O272 -","32","0.166667","","Lysenko, Andrey B.; Govor, Evgen V.; Krautscheid, Harald; Domasevitch, Konstantin V.","Metal-organic frameworks incorporating Cu3(mu3-OH) clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3772","3776","10.1039/b604804h","","","0.71073","MoKα","","0.0539","0.0483","","","0.144","0.1472","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7062799","36.778","0.004","36.778","0.004","36.778","0.004","90","","90","","90","","49747","9","200","2","200","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C20 H14 Co In N4 O8 -","- C20 H14 Co In N4 O8 -","- C1920 H1344 Co96 In96 N384 O768 -","96","0.5","","Abbas, Muhammad; Marti, Anne M.; Umer, Arslan; Joy, Monu; Yang, Ya-Ching; Wang, Sue-Lein; Balkus, Kenneth J.","Encapsulation of cobaltocenium ions in a zeolite-like metal–organic framework","New Journal of Chemistry","2023","47","46","21159","21167","10.1039/D3NJ03663D","","","0.71073","MoKα","","0.0335","0.0273","","","0.0586","0.0632","","","","","","1.228","","","","has coordinates,has disorder","288839","2024-01-06","08:47:28",""
"7100911","36.0435","0.0011","36.0435","0.0011","36.0435","0.0011","90","","90","","90","","46825","2","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C10 H4 In N4 O8 -","- C10 H2 In N4 O11.9067 -","- C960 H192 In96 N384 O1143.04 -","96","0.5","","Mohamed Eddaoudi; Victor Ch Krastov; Randy Larsena; Yunling Liu","Molecular building blocks approach to the assembly of zeolite-like metal-organic frameworks (ZMOFs) with extra-large cavities","Chemical Communications","2006","","","","","10.1039/b600188m","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7101834","47.3348","0.0005","47.3348","0.0005","47.3348","0.0005","90","","90","","90","","106058","1.9","150","2","150","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C12 H17 N3 O2 Pt -","- C12 H17 N3 O2 Pt -","- C2304 H3264 N576 O384 Pt192 -","192","1","","Zhang, Fenbao; Jennings, Michael C; Puddephatt, Richard J","Organometallic molecular materials: self-assembly through hydrogen bonding of an organoplatinum network structure with zeolite-like topology.","Chemical communications (Cambridge, England)","2007","","15","1496","1498","10.1039/b617341a","","","0.71073","MoKα","","0.0619","0.0451","","","0.1237","0.1386","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105831","24.743","0.004","24.743","0.004","24.743","0.004","90","","90","","90","","15148","4","140","","","","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C6 H19 Cl2 Cu3 N9 O7 -","- C6 Cl1.998 Cu3 N9 O7.002 -","- C192 Cl63.936 Cu96 N288 O224.064 -","32","0.166667","","Tetsuya Yamada; Goro Maruta; Sadamu Takeda","Reversible Solid State Structural Conversion between Three-dimensional Network and One-dimensional Chain of Cu(II) Triazole Coordination Polymers in Acidic/Basic- Suspensions or Vapors","Chem.Commun.","2011","47","","653","","10.1039/c0cc04293e","","","0.71075","MoKα","","0.0581","0.047","","","0.05","0.0688","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105832","24.719","0.008","24.719","0.008","24.719","0.008","90","","90","","90","","15104","8","26","","","","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C6 H19 Br2 Cu3 N9 O7 -","- C6 Br1.998 Cu3 N9 O7.002 -","- C192 Br63.936 Cu96 N288 O224.064 -","32","0.166667","","Tetsuya Yamada; Goro Maruta; Sadamu Takeda","Reversible Solid State Structural Conversion between Three-dimensional Network and One-dimensional Chain of Cu(II) Triazole Coordination Polymers in Acidic/Basic- Suspensions or Vapors","Chem.Commun.","2011","47","","653","","10.1039/c0cc04293e","","","0.6884","Sr","","0.0959","0.0841","","","0.0993","0.1415","","","","","","0.922","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106039","40.5056","0.0014","40.5056","0.0014","40.5056","0.0015","90","","90","","90","","66458","4","150","2","150","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- H131 Mo24 Na12 O180 P17 Zn6 -","- Mo24 Na12 O179.92 P17 Zn6 -","- Mo384 Na192 O2878.72 P272 Zn96 -","16","0.0833333","","Dong-Ying Du; Jun-Sheng Qin; Yang-Guang Li; Shun-Li Li; Ya-Qian Lan; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; En-Bo Wang","An unprecedented 3D 8-connected pure inorganic framework based on nanosized {[Na12PO16H24][P4Mo6O31H6]4}15- clusters and zinc cations","Chem.Commun.","2011","47","","2832","","10.1039/c0cc04343e","","","0.71073","MoKα","","0.0685","0.058","","","0.162","0.1726","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7108692","26.1065","0.0009","26.1065","0.0009","26.1065","0.0009","90","","90","","90","","17792.9","1.1","150","2","150","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H48 Gd2 Mn3 O42 -","- C24 H48 Gd2 Mn3 O42 -","- C384 H768 Gd32 Mn48 O672 -","16","0.0833333","","Fu-Sheng Guo; Yan-Cong Chen; Jun-Liang Liu; Ji-Dong Leng; Zhao-Sha Meng; Peter Vrabel; Martin Orendac; Ming-Liang Tong","A large cryogenic magnetocaloric effect exhibited at low field by a 3D ferromagnetically coupled Mn(II)-Gd(III) framework material","Chem.Commun.","2012","48","","12219","","10.1039/c2cc37510a","","","0.71073","MoKα","","0.0911","0.0852","","","0.1436","0.1454","","","","","","1.061","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7121970","43.0555","0.0002","43.0555","0.0002","43.0555","0.0002","90","","90","","90","","79815.3","0.6","100","2","100","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C28 H19 Cu2 I0.4 N9 O10.2 -","- C28 H19 Cu2 I0.4 N9 O10.2 -","- C2688 H1824 Cu192 I38.4 N864 O979.2 -","96","0.5","","Ye, Chun-Rong; Zheng, Ji; Li, Mian; Huang, Xiao-Chun","A zeolite-like MOF based on a heterotritopic linker of imidazolyl, carboxyl and pyridine with a long-sought uks net on Schwarz's D-surface.","Chemical communications (Cambridge, England)","2018","54","63","8769","8772","10.1039/c8cc03484b","","","0.71073","MoKα","","0.0763","0.057","","","0.1594","0.1885","","","","","","1.061","","","","has coordinates,has disorder","228167","2020-10-21","18:00:00",""
"7133477","25.724","0.004","25.724","0.004","25.724","0.004","90","","90","","90","","17022","5","300","","300","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C8 H24 Cl6 N2 Sn -","- C8 H23.9994 Cl6 N2 Sn -","- C256 H767.981 Cl192 N64 Sn32 -","32","0.166667","","Cai, Zhuoer; Yinan, Zhang; Chen, Jian; He, Xiaofan; Zhang, Ziyue; Hua, Xiu-Ni; Sun, Baiwang","Symmetry breaking through molecular engineering to achieve ""on-off-on"" nonlinear optical switch in a [SnCl<sub>6</sub>]<sup>2-</sup> framework.","Chemical communications (Cambridge, England)","2024","60","70","9412","9415","10.1039/d4cc03006k","","x-ray","0.71073","MoKα","","0.0503","0.0316","","","0.0742","0.0897","","","","","","1.101","","","","has coordinates,has disorder","294408","2024-09-05","23:07:49",""
"7210618","32.702","0.003","32.702","0.003","32.702","0.003","90","","90","","90","","34972","6","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C60 H48 N30 O18 Zn3 -","- C60 H48 N30 O18 Zn3 -","- C960 H768 N480 O288 Zn48 -","16","0.0833333","","Xue, Zhen-Zhen; Sheng, Tian-Lu; Zhu, Qi-Long; Yuan, Da-Qiang; Wang, Yan-Long; Tan, Chun-Hong; Hu, Sheng-Min; Wen, Yue-Hong; Wang, Yong; Fu, Rui-Biao; Wu, Xin-Tao","Two cationic metal‒organic frameworks featuring different cage-to-cage connections: syntheses, crystal structures, photoluminescence and gas sorption properties","CrystEngComm","2013","15","40","8139","","10.1039/c3ce41364k","","","0.71073","MoKα","","0.0867","0.0862","","","0.2419","0.2426","","","","","","1.068","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210910","62.779","0.007","62.779","0.007","62.779","0.007","90","","90","","90","","247425","5","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C23 H17 N O10 Zn2 -","- C21 H9 O10 Zn2 -","- C4032 H1728 O1920 Zn384 -","192","1","","Kim, Dongwook; Lah, Myoung Soo","Metal‒organic framework with two different types of rigid triscarboxylates: net topology and gas sorption behaviour","CrystEngComm","2013","15","45","9491","","10.1039/c3ce40929e","","","0.67","synchrotron","","0.1064","0.085","","","0.2807","0.3095","","","","","","1.188","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7211614","25.9723","0.0006","25.9723","0.0006","25.9723","0.0006","90","","90","","90","","17519.9","0.7","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C48 H72 La4 Mn6 O78 -","- C48 H72 La4 Mn6 O78 -","- C384 H576 La32 Mn48 O624 -","8","0.0416667","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0892","0.0409","","","0.1279","0.1881","","","","","","1.026","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7219474","40.11","0.005","40.11","0.005","40.11","0.005","90","","90","","90","","64529","14","298","2","298","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C132 H79 N3 O66 Pb13 S24 -","- C120 H24 O57 Pb13 S24 -","- C1920 H384 O912 Pb208 S384 -","16","0.0833333","","Shen, Yu; Zhu, Hai-Bin; Hu, Jun; Zhao, Yue","Construction of a metal‒organic framework by octuple intercatenation of discrete icosahedral coordination cages","CrystEngComm","2015","17","10","2080","","10.1039/C4CE02207F","","","0.71073","MoKα","","0.0764","0.0504","","","0.1403","0.1463","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7235235","44.21","0.002","44.21","0.002","44.21","0.002","90","","90","","90","","86410","7","150","2","150","2","","","","","","","","4","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C53.33 H27.08 O9.33 Zn2 -","- C53 H28 O9.33333 Zn2 -","- C2544 H1344 O448 Zn96 -","48","0.25","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1059","0.0546","","","0.1699","0.19","","","","","","1.039","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7242306","36.4661","0.0005","36.4661","0.0005","36.4661","0.0005","90","","90","","90","","48491.8","1.2","293","","293","","","","","","","","","3","F d -3 c :2","-F 4ud 2vw 3","228","BHDB","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C24 H18 O4 -","- C24 H18 O4 -","- C2304 H1728 O384 -","96","0.5","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0634","0.0537","","","0.1678","0.1811","","","","","","1.072","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7248399","25.5971","0.0007","25.5971","0.0007","25.5971","0.0007","90","","90","","90","","16771.5","0.8","296","2","296","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H42 Co3 O39 Y2 -","- C24 H42 Co3 O39 Y2 -","- C384 H672 Co48 O624 Y32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","","0.71073","MoKα","","0.0498","0.0332","","","0.0923","0.1094","","","","","","1.122","","","","has coordinates,has disorder","292961","2024-07-05","15:28:29",""
"7248400","25.8541","0.0005","25.8541","0.0005","25.8541","0.0005","90","","90","","90","","17281.8","0.6","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Eu2 O39 -","- C24 H30 Co3 Eu2 O39 -","- C384 H480 Co48 Eu32 O624 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0458","0.0336","","","0.0721","0.0802","","","","","","1.154","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248403","25.4349","0.0002","25.4349","0.0002","25.4349","0.0002","90","","90","","90","","16454.7","0.2","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Lu2 O38 -","- C24 H30 Co3 Lu2 O37.9998 -","- C384 H480 Co48 Lu32 O607.997 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0236","0.0213","","","0.0668","0.0682","","","","","","1.218","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248408","25.5505","0.0008","25.5505","0.0008","25.5505","0.0008","90","","90","","90","","16680.1","0.9","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Ho2 O38 -","- C24 H30 Co3 Ho2 O37.9998 -","- C384 H480 Co48 Ho32 O607.997 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0359","0.0257","","","0.077","0.0859","","","","","","1.165","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248411","25.4426","0.001","25.4426","0.001","25.4426","0.001","90","","90","","90","","16469.7","1.1","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 O38 Yb2 -","- C24 H30 Co3 O37.9998 Yb2 -","- C384 H480 Co48 O607.997 Yb32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0536","0.0293","","","0.0879","0.1072","","","","","","1.074","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248412","25.6646","0.0011","25.6646","0.0011","25.6646","0.0011","90","","90","","90","","16904.5","1.3","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H36 Co3 O39 Tb2 -","- C24 H36 Co3 O39 Tb2 -","- C384 H576 Co48 O624 Tb32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0473","0.0325","","","0.0732","0.08","","","","","","1.197","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248414","25.4416","0.0009","25.4416","0.0009","25.4416","0.0009","90","","90","","90","","16467.7","1","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 O39 Tm2 -","- C24 H30 Co3 O39 Tm2 -","- C384 H480 Co48 O624 Tm32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0572","0.0327","","","0.0905","0.109","","","","","","1.152","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7705802","41.4111","0.0011","41.4111","0.0011","41.4111","0.0011","90","","90","","90","","71015","3","123","2","123","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C120 H180 Ag13 Cu10 S12 -","- C120 H180 Ag13 Cu10 S12 -","- C1920 H2880 Ag208 Cu160 S192 -","16","0.0833333","","Bao, Yizheng; Wu, Xiaohang; Gao, Hongjie; Zhou, Manman; Chen, Shuang; Jin, Shan; Yu, Haizhu; Zhu, Manzhou","The geometric and electronic structures of a Ag<sub>13</sub>Cu<sub>10</sub>(SAdm)<sub>12</sub>X<sub>3</sub> nanocluster.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17164","17168","10.1039/d0dt03638b","","","0.71073","MoKα","","0.0475","0.0307","","","0.105","0.1078","","","","","","1.023","","","","has coordinates","260752","2021-01-07","06:18:53",""
"9007597","27.755","","27.755","","27.755","","90","","90","","90","","21380.8","","","","","","","","","","","","Synthetic","5","F d -3 c :2","-F 4ud 2vw 3","228","","","Natrophosphate","- F H28 Na7 O27 P2 -","- F H26 Na7 O27 P2 -","- F32 H832 Na224 O863.999 P64 -","32","0.166667","","Baur, W. H.; Tillmanns, E.","Salt hydrates. X. The crystal structure determinations of heptasodium fluoride bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and the computer simulation of the isomorphous vanadate salt Note: not all H were located Locality: synthetic","Acta Crystallographica, Section B","1974","30","","2218","2224","10.1107/S0567740874006777","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007598","28.12","","28.12","","28.12","","90","","90","","90","","22235.5","","","","","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- As2 F H28 Na7 O27 -","- As2 F H38 Na7 O27 -","- As64 F32 H1216 Na224 O863.999 -","32","0.166667","","Baur, W. H.; Tillmanns, E.","Salt hydrates. X. The crystal structure determination of heptasodium fluoride bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and the computer simulation of the isomorphous vanadate salt","Acta Crystallographica, Section B","1974","30","","2218","2224","10.1107/S0567740874006777","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9009569","27.254","","27.254","","27.254","","90","","90","","90","","20243.7","","","","","","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","Voltaite","- Al Fe8 H72 K2 O66 S12 -","- Al Fe8 H36 K2 O66 S12 -","- Al16 Fe128 H576 K32 O1056 S192 -","16","0.0833333","","Mereiter, K.","Die kristallstruktur des voltaits, K2Fe2+5Fe3+3Al[SO4]12*18H2O","Tschermaks Mineralogische und Petrographische Mitteilungen","1972","18","","185","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9017148","27.2635","","27.2635","","27.2635","","90","","90","","90","","20264.9","","","","","","","","","","","","Fornovolasco mine, Apuan Alps, Italy","8","F d -3 c :2","-F 4ud 2vw 3","228","","","Voltaite","- Al Fe6.44 H24 K1.872 Mg1.56 O66 S12 Tl0.128 -","- Al Fe6.44 H24 K1.872 Mg1.56 O66 S12 Tl0.128 -","- Al16 Fe103.04 H384 K29.952 Mg24.96 O1056 S192 Tl2.048 -","16","0.0833333","","Biagioni, C.; Mauro, D.; Pasero, M.; Bonaccorsi, E.; Lepore, G. O.; Zaccarini, F.; Skogby, H.","Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). VI. Tl-bearing alum-(K) and voltaite from the Fornovolasco mining complex","American Mineralogist","2020","105","","1088","1098","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""