# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-16T10:11:06+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 2 2 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
"1509698","7.058","","7.263","","8.253","","90","","90","","90","","423.067","","","","","","","","","","","","","4","I 2 2 2","I 2 2","23","","Ba Ag2 (Ge Se4)","","- Ag2 Ba Ge Se4 -","- Ag2 Ba Ge Se4 -","- Ag4 Ba2 Ge2 Se8 -","2","0.25","","Johrendt, D.; Tampier, M.","Neue azentrische Selenogermanate. I. Kristallstrukturen und chemische Bindung von A M2 Ge Se4 (A=Sr, Ba; M=Cu, Ag)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","312","320","10.1002/1521-3749(200103)627:3<312::AID-ZAAC312>3.0.CO;2-U","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509717","7.127","","8.117","","6.854","","90","","90","","90","","396.503","","","","","","","","","","","","","4","I 2 2 2","I 2 2","23","","Ag2 Ba (Sn S4)","","- Ag2 Ba S4 Sn -","- Ag2 Ba S4 Sn -","- Ag4 Ba2 S8 Sn2 -","2","0.25","","Teske, C.L.; Vetter, O.","Ergebnisse einer Roentgenstrukturanalyse von SilberBarium-Thiostannat(IV), Ag2 Ba Sn S4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1976","427","","200","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518706","9.88","0.001","9.877","0.001","13.064","0.001","90","","90","","90","","1274.8","0.2","","","5","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- Al10 Cl2 H16 K12 O48 Si10 -","- Al10 Cl1.836 H4.368 K11.748 O42.208 Si10 -","- Al10 Cl1.836 H4.368 K11.748 O42.208 Si10 -","1","0.125","","Norlund Christensen, A.; Fjellvag, H.","Neutron powder diffraction study of the dehydration of zeolite N","Acta Chemica Scandinavica","1999","53","","85","89","","powder diffraction","neutron","1.5938","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518707","9.779","0.001","9.743","0.001","13.142","0.001","90","","90","","90","","1252.1","0.2","","","623","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- Al10 Cl2 H16 K12 O48 Si10 -","- Al10 Cl1.56 H1.44 K10.72 O40.72 Si10 -","- Al10 Cl1.56 H1.44 K10.72 O40.72 Si10 -","1","0.125","","Norlund Christensen, A.; Fjellvag, H.","Neutron powder diffraction study of the dehydration of zeolite N","Acta Chemica Scandinavica","1999","53","","85","89","","powder diffraction","neutron","1.5938","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1527025","19.186","","14.143","","7.484","","90","","90","","90","","2030.77","","","","","","","","","","","","","6","I 2 2 2","I 2 2","23","","Mg1.6 Na2.6 (Al4 Si32 O72) (H2 O)18","","- Al4 H36 Mg1.6 Na2.6 O90 Si32 -","- Al4 Mg1.6 Na2.6 O90 Si32 -","- Al4 Mg1.6 Na2.6 O90 Si32 -","1","0.125","","Yokomori, Y.; Nishi, K.; Wachsmuth, J.","Structure and Bronsted acid sites of ferrierite","Microporous and Mesoporous Materials","2001","50","","137","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529235","4.11991","0.00035","4.22332","0.00038","13.349","0.0012","90","","90","","90","","232.27","0.04","300","","300","","","","","","","","","3","I 2 2 2","I 2 2","23","","Bis(oxoneodymium) Sulfate(VI)","","- Nd2 O6 S -","- Nd2 O6 S -","- Nd4 O12 S2 -","2","0.25","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2].2H2O to noncentrosymmetric oxosulfate Nd2O2SO4","Journal of Coordination Chemistry","2015","68","11","1865","","10.1080/00958972.2015.1031119","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.46","1.207","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1535404","6.25","","10.83","","5.4","","90","","90","","90","","365.513","","","","","","","","","","","","","3","I 2 2 2","I 2 2","23","","Na Fe S2","","- Fe Na S2 -","- Fe Na S2 -","- Fe4 Na4 S8 -","4","0.5","","Boller, H.; Blaha, H.","Zur Kenntnis des Natriumthioferrates(III)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1983","114","","145","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1543353","19.9984","0.0008","22.3102","0.0009","22.5607","0.0009","90","","90","","90","","10065.9","0.7","110","2","110","2","","","","","","","","5","I 2 2 2","I 2 2","23","","T2","","- C120 H204 N84 O47.5 Pd12 -","- C120 H204 N84 O47.4 Pd12 -","- C240 H408 N168 O94.8 Pd24 -","2","0.25","","Howlader, Prodip; Mukherjee, Partha Sarathi","Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting","Chem. Sci.","2016","7","9","5893","","10.1039/C6SC02012G","","","0.71073","MoKα","","0.047","0.0433","","","0.1124","0.1144","","","","","","1.066","","","","has coordinates","186328","2020-10-21","18:00:00",""
"1550533","12.1248","0.0013","14.1447","0.0015","14.1468","0.0015","90","","90","","90","","2426.2","0.4","113","","113","","","","","","","","","4","I 2 2 2","I 2 2","23","1a","1a","","- C36 H72 Mn4 O16 -","- C36 H68.8 Mn4 O16 -","- C72 H137.6 Mn8 O32 -","2","0.25","","Nagae, Haruki; Hirai, Takahiro; Kato, Daiki; Soma, Shusei; Akebi, Shin-ya; Mashima, Kazushi","Dinuclear Manganese Alkoxide Complexes as Catalysts for C—N Bond Cleavage of Simple Tertiary N,N-Dialkylamides to Give Esters","Chemical Science","2019","","","","","10.1039/C8SC05819A","","","0.71075","MoKα","","0.0255","0.0249","","","0.0716","0.0722","","","","","","1.09","","","","has coordinates,has disorder","213371","2020-10-21","18:00:00",""
"1553106","15.713","0.012","28.08","0.02","28.507","0.018","90","","90","","90","","12578","15","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C33 H30 Br N O5 -","- C33 H30 Br N O5 -","- C528 H480 Br16 N16 O80 -","16","2","","Zhang, Jun-Wei; Liu, Xiao-Wei; Gu, Qing; Shi, Xiao-Xin; You, Shu-Li","Enantioselective synthesis of 4,5,6,7-tetrahydroindoles via olefin cross-metathesis/intramolecular Friedel‒Crafts alkylation reaction of pyrroles","Organic Chemistry Frontiers","2015","2","5","476","","10.1039/C5QO00034C","","","0.71073","MoKα","","0.1326","0.0686","","","0.1544","0.1759","","","","","","0.891","","","","has coordinates","233602","2020-10-21","18:00:00",""
"1562833","15.2478","0.0011","19.3901","0.0011","19.4093","0.0012","90","","90","","90","","5738.5","0.6","100","2","100","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C19 H9.5 B Li N0.5 O6 -","- C19 H8 B Li N0.5 O6 -","- C152 H64 B8 Li8 N4 O48 -","8","1","","Hu, Yiming; Teat, Simon J.; Gong, Wei; Zhou, Zhou; Jin, Yinghua; Chen, Hongxuan; Wu, Jingyi; Cui, Yong; Jiang, Tao; Cheng, Xinbin; Zhang, Wei","Single crystals of mechanically entwined helical covalent polymers","Nature Chemistry","2021","","","1","","10.1038/s41557-021-00686-2","","","0.7288","synchrotron","","0.0802","0.078","","","0.2131","0.2172","","","","","","1.176","","","","has coordinates","265465","2021-05-24","08:21:07",""
"1562834","15.2523","0.0014","19.3821","0.0018","19.4331","0.0018","90","","90","","90","","5744.8","0.9","100","2","100","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C19 H10 B Li N0.5 O6.25 -","- C19 H8 B Li N0.5 O6.25 -","- C152 H64 B8 Li8 N4 O50 -","8","1","","Hu, Yiming; Teat, Simon J.; Gong, Wei; Zhou, Zhou; Jin, Yinghua; Chen, Hongxuan; Wu, Jingyi; Cui, Yong; Jiang, Tao; Cheng, Xinbin; Zhang, Wei","Single crystals of mechanically entwined helical covalent polymers","Nature Chemistry","2021","","","1","","10.1038/s41557-021-00686-2","","","0.7288","synchrotron","","0.09","0.0882","","","0.2428","0.2475","","","","","","1.115","","","","has coordinates","265465","2021-05-24","08:21:08",""
"2007213","8.914","0.0005","18.1678","0.0013","25.326","0.002","90","","90","","90","","4101.5","0.5","293","2","293","2","","","","","","","","3","I 2 2 2","I 2 2","23","2,3-dideoxy-2,3-dihydroryanodol","","","- C20 H35 O7.5 -","- C20 H34 O7.429 -","- C160 H272 O59.432 -","8","1","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","1.54184","CuKα","","0.043","0.039","","0.108","0.1039","","","","1.024","1.035","1.035","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2015017","6.6873","0.0008","13.427","0.002","28.159","0.004","90","","90","","90","","2528.4","0.6","296","2","296","2","","","","","","","","6","I 2 2 2","I 2 2","23","trans-dichlorobis[(1S,2S,3S,5R)-(+)-isopinocampheylamine]palladium(II) hemihydrate","trans-dichlorobis[(1S,2S,3S,5R)-(+)-2,6,6-trimethylbicyclo[3.1.1]heptan-3- amino]palladium(II) hemihydrate","","- C20 H39 Cl2 N2 O0.5 Pd -","- C20 H39 Cl2 N2 O0.5 Pd -","- C80 H156 Cl8 N8 O2 Pd4 -","4","0.5","GZ1007","Vázquez, Jaime; Bernès, Sylvain; Meléndez, Ruth; Portillo, Roberto; Gutiérrez, René","Conformational change induced by hydration: <i>trans</i>-dichlorobis[(1<i>R</i>,2<i>R</i>,3<i>R</i>,5<i>S</i>)-(‒)-isopinocampheylamine]palladium(II) and <i>trans</i>-dichlorobis[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-(+)-isopinocampheylamine]palladium(II) hemihydrate","Acta Crystallographica Section C","2005","61","9","m424","m427","10.1107/S0108270105024315","","","0.71073","MoKα","","0.0492","0.0404","","","0.1055","0.1142","","","","","","1.105","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2021888","6.2738","0.0003","9.1388","0.0004","18.8424","0.0008","90","","90","","90","","1080.33","0.08","296","2","296","2","","","","","","","","5","I 2 2 2","I 2 2","23","tetrafluorodioxovanadium","tetrafluorodioxovanadium","","- F4 H12 N3 O2 V -","- F6 N3 V -","- F36 N18 V6 -","6","0.75","","Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.","Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2017","73","6","1085","","10.1107/S2052520617012422","","","0.71073","MoKα","","0.0507","0.0443","","","0.1307","0.1386","","","","","","0.979","","","","has coordinates","246112","2020-10-21","18:00:00",""
"2101613","10.453","0.001","13.417","0.001","28.526","0.002","90","","90","","90","","4000.7","0.6","100","3","100","3","","","","","","","","7","I 2 2 2","I 2 2","23","","(N,N'-bis(6-phenanthridinylmethyl)-7,16-diaza-18-crown-6)sodium iodide dichloromethane solvate","","- C41 H46 Cl2 I N4 Na O4 -","- C41 H46 Cl2 I N4 Na O4 -","- C164 H184 Cl8 I4 N16 Na4 O16 -","4","0.5","NA0076","Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad","Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate","Acta Crystallographica Section B","1996","52","5","823","837","10.1107/S0108768196006337","","","0.71073","MoKα","","0.059","0.0493","","0.058","0.0511","","","","4.25","4.24","4.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2219877","7.3883","0.0015","10.087","0.002","29.031","0.006","90","","90","","90","","2163.6","0.8","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","Potassium L-2-nitrimino-1,3-diazepane-4-carboxylate monohydrate","","- C6 H11 K N4 O5 -","- C6 H11 K N4 O5 -","- C48 H88 K8 N32 O40 -","8","1","HG2410","Karapetyan, Harutyun A.","Potassium <small>L</small>-2-nitrimino-1,3-diazepane-4-carboxylate monohydrate","Acta Crystallographica Section E","2008","64","11","m1369","","10.1107/S1600536808023817","","","0.71073","MoKα","","0.1459","0.0648","","","0.1571","0.193","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"4000014","10.137","0.005","44.006","0.004","4.709","0.007","90","","90","","90","","2100","3","298.2","","298.2","","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C24 H16 N4 Rb S12 Se8 Zn -","- C22 H16 N4 Rb0.25 S12 Se8 Zn0.25 -","- C44 H32 N8 Rb0.5 S24 Se16 Zn0.5 -","2","0.25","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.0857","","","0.067","","","","","2.933","2.933","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000015","9.812","0.004","44.104","0.004","4.907","0.005","90","","90","","90","","2123","1","298.2","","298.2","","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C24 H16 Co Cs N4 S12 Se8 -","- C22 H16 Co0.25 Cs0.25 N4 S12 Se8 -","- C44 H32 Co0.5 Cs0.5 N8 S24 Se16 -","2","0.25","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.1007","","","0.0705","","","","","3.126","3.126","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000016","9.818","0.006","44.13","0.005","4.906","0.007","90","","90","","90","","2125","2","298.2","","298.2","","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C24 H16 Cs N4 S12 Se8 Zn -","- C22 H16 Cs0.25 N4 S12 Se8 Zn0.25 -","- C44 H32 Cs0.5 N8 S24 Se16 Zn0.5 -","2","0.25","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.0673","","","0.0437","","","","","1.792","1.792","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000018","10.128","0.009","43.97","0.01","4.71","0.01","90","","90","","90","","2098","4","298.2","","298.2","","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C24 H16 Co N4 Rb S12 Se8 -","- C22 H16 Co0.25 N4 Rb0.25 S12 Se8 -","- C44 H32 Co0.5 N8 Rb0.5 S24 Se16 -","2","0.25","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.0799","","","0.0476","","","","","3.412","3.412","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000566","7.1154","0.0007","7.4994","0.0007","8.3375","0.0008","90","","90","","90","","444.9","0.07","298","2","298","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- Ag2 Ba Se4 Sn -","- Ag2 Ba Se4 Sn -","- Ag4 Ba2 Se8 Sn2 -","2","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050102u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020553","6.8961","0.0004","14.1021","0.0008","20.3417","0.0014","90","","90","","90","","1978.2","0.2","203","2","203","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C72 H96 N16 O32 -","8","1","","Stefan Spange; Katja Hofmann; Bernhard Walfort; Tobias Rüffer; Heinrich Lang","Chiral 1,2- and 1,3-Diol-Functionalized Chromophores as Lego Building Blocks for Coupled Structures","Journal of Organic Chemistry","2005","70","","8564","8567","10.1021/jo051097g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4030289","7.2241","0.0014","30.833","0.009","32.125","0.01","90","","90","","90","","7156","3","100.01","0.1","100.01","0.1","","","","","","","","3","I 2 2 2","I 2 2","23","","","","- C27 H44.5 O3 -","- C27 H44.5 O3 -","- C216 H356 O24 -","8","1","","Sokolowska, Katarzyna; Carballa, Diego; Seoane, Samuel; Pérez-Fernández, Román; Mouriño, Antonio; Sicinski, Rafal R.","Synthesis and Biological Activity of Two C-7 Methyl Analogues of Vitamin D.","The Journal of organic chemistry","2014","80","1","165","","10.1021/jo502243r","","","0.71073","MoKα","","0.2499","0.1058","","","0.2433","0.3113","","","","","","0.872","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064245","12.371","0.002","15.336","0.003","16.871","0.003","90","","90","","90","","3200.8","1","173","2","173","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C52 H92 O4 Y4 -","- C52 H92 O4 Y4 -","- C104 H184 O8 Y8 -","2","0.25","","Shima, Takanori; Nishiura, Masayoshi; Hou, Zhaomin","Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from Half-Sandwich Bis(aminobenzyl) Complexes Containing Various Cyclopentadienyl Ligands","Organometallics","2011","30","9","2513","","10.1021/om1012055","","","0.71073","MoKα","","0.0522","0.0358","","","0.068","0.07","","","","","","0.862","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4081833","11.1196","0.0004","11.262","0.0003","13.9387","0.0004","90","","90","","90","","1745.53","0.09","200","2","200","2","","","","","","","synthesized by the authors","4","I 2 2 2","I 2 2","23","","","","- C40 H60 O Ti2 -","- C40 H60 O Ti2 -","- C80 H120 O2 Ti4 -","2","0.25","","Pinkas, Jiří; Císařová, Ivana; Gyepes, Róbert; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Synthesis and Structure of Titanium(III) Bis(decamethyltitanocene) Oxide","Organometallics","2013","32","21","6306","","10.1021/om400624y","","","0.71073","MoKα","","0.0226","0.0219","","","0.0615","0.0619","","","","","","1.091","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4100542","19.35","0.03","5.11","0.007","6.988","0.01","90","","90","","90","","691.1","1.7","121.1","","","","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C6 H20 Br3 N4 Ni -","- C6 H24 Br3 N4 Ni -","- C12 H48 Br6 N8 Ni2 -","2","0.25","","Mari Sasaki; Shinya Takaishi; Hitoshi Miyasaka; Ken-ichi Sugiura; Masahiro Yamashita","Novel Quasi-One-Dimensional Halogen-Bridged PtII-PtIV Mixed-Valence Compounds with Magnetic Counter-anions, {[Pt(en)2][PtX2(en)2]}3{(MX5)X3}2 12H2O (M=Co2+, Mn2+, and Fe2+; X=Cl- and Br-)","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4101476","23.443","0.007","5.6718","0.0016","7.288","0.002","90","","90","","90","","969","0.5","93","2","93","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C12 H28 I3 N4 Pt -","- C12 H28 I3 N4 Pt -","- C24 H56 I6 N8 Pt2 -","2","0.25","","Takaishi, Shinya; Kawakami, Daisuke; Yamashita, Masahiro; Sasaki, Mari; Kajiwara, Takashi; Miyasaka, Hitoshi; Sugiura, Ken-Ichi; Wakabayashi, Yusuke; Sawa, Hiroshi; Matsuzaki, Hiroyuki; Kishida, Hideo; Okamoto, Hiroshi; Watanabe, Harutaka; Tanaka, Hisaaki; Marumoto, Kazuhiro; Ito, Hiroshi; Kuroda, Shin-Ichi","Dynamical valence fluctuation at the charge-density-wave phase boundary in iodide-bridged Pt compound [Pt(chxn)2I]I2.","Journal of the American Chemical Society","2006","128","19","6420","6425","10.1021/ja060193b","","","0.7107","MoKα","","0.0243","0.0219","","","0.0435","0.0454","","","","","","1.201","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4108884","10.9542","0.0012","13.6868","0.0017","32.04","0.004","90","","90","","90","","4803.7","1","143","1","143","1","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C20 H20 N2 O9 -","- C20 H20 N2 O9 -","- C160 H160 N16 O72 -","8","1","","Xiaobo Wan; Madeleine M. Joullié","Enantioselective Total Syntheses of Trichodermamides A and B","Journal of the American Chemical Society","2008","130","","17236","17237","10.1021/ja807011b","","","0.71073","MoKα","","0.0593","0.0531","","","0.1357","0.1417","","","","","","1.09","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4111910","18.145","0.004","14.925","0.003","22.529","0.004","90","","90","","90","","6101","2","110","2","110","2","","","","","","","","7","I 2 2 2","I 2 2","23","[Ni4(bptz)4(CH3CN)8][SbF6]7[I]","","","- C64 H56 F42 I N32 Ni4 Sb7 -","- C64 H56 F42 I N32 Ni4 Sb7 -","- C128 H112 F84 I2 N64 Ni8 Sb14 -","2","0.25","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.0764","0.0655","","","0.1625","0.1694","","","","","","0.909","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111911","17.869","0.004","14.762","0.003","22.326","0.004","90","","90","","90","","5889","2","110","2","110","2","","","","","","","","8","I 2 2 2","I 2 2","23","[Ni4(bptz)4(CH3CN)8][BF4][PF6][SbF6]6","","","- C64 H56 B F46 N32 Ni4 P Sb6 -","- C64 H56 B F46 N32 Ni4 P Sb6 -","- C128 H112 B2 F92 N64 Ni8 P2 Sb12 -","2","0.25","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1109","0.0808","","","0.2089","0.2313","","","","","","1.04","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4115855","16.9109","0.0008","24.267","0.002","30.21","0.003","90","","90","","90","","12397.5","1.7","120","2","120","2","","","","","","","","6","I 2 2 2","I 2 2","23","ASU-16","","","- C6 H18 F4 Ge14 N3 O32 -","- C6 H18 F4 Ge14 N3 O32 -","- C48 H144 F32 Ge112 N24 O256 -","8","1","","Jacques Plévert; Travis M. Gentz; Aaron Laine; Hailian Li; Victor G. Young; Omar M. Yaghi; Michael O'Keeffe","A Flexible Germanate Structure Containing 24-Ring Channels and with Very Low Framework Density","Journal of the American Chemical Society","2001","123","","12706","12707","10.1021/ja016996a","","","0.5594","X-rays","","0.0442","0.0385","","","0.0913","0.0924","","","","","","0.967","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00",""
"4116908","12.19","0.003","15.673","0.004","19.605","0.004","90","","90","","90","","3745.6","1.5","213","2","213","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C48 H108 I8 Mo4 P4 -","- C48 H108 I8 Mo4 P4 -","- C96 H216 I16 Mo8 P8 -","2","0.25","","F. Albert Cotton; Lee M. Daniels; Isabelle Guimet; Robert W. Henning; Glenn T. Jordan; Chun Lin; Carlos A. Murillo; Arthur J. Schultz","Compounds with Two Metal-Metal Multiple Bonds: New Ways of Making Doublets into Cyclic Quartets","Journal of the American Chemical Society","1998","120","","12531","12538","10.1021/ja982425f","","","0.71073","MoKα","","0.0577","0.053","","0.138","0.1335","","","","1.117","","","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4123929","11.208","","17.286","","23.536","","90","","90","","90","","4559.9","","","","","","","","","","","","","5","I 2 2 2","I 2 2","23","","Cs14 Li22.72 (Li18.4 Si72 O172) (D2 O)6.16","","- Cs14 D12.32 Li41.12 O178.16 Si72 -","- Cs13.996 Li41.12 O178.164 Si72 -","- Cs13.996 Li41.12 O178.164 Si72 -","1","0.125","","Park, S.-H.; Grey, C.P.; Parise, J.B.; Gies, H.; Liu, H.-M.; Toby, B.H.","A new porous lithosilicate with a high ionic conductivity and ion-exchange capacity","Journal of the American Chemical Society","2000","122","","11023","11024","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124200","3.89","0.0003","10.7997","0.0009","11.3951","0.0008","90","","90","","90","","478.72","0.06","296","2","296","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C10 H8 F3 Fe N2 -","- C10 H8 F3 Fe N2 -","- C20 H16 F6 Fe2 N4 -","2","0.25","","Lu, Hongcheng; Yamamoto, Takafumi; Yoshimune, Wataru; Hayashi, Naoaki; Kobayashi, Yoji; Ajiro, Yoshitami; Kageyama, Hiroshi","A Nearly Ideal One-Dimensional S = 5/2 Antiferromagnet FeF3(4,4'-bpy) (4,4'-bpy =4,4'-bipyridyl) with Strong Intrachain Interactions.","Journal of the American Chemical Society","2015","137","31","9804","9807","10.1021/jacs.5b06120","","x-ray","0.71073","MoKα","","0.0208","0.0196","","","0.0498","0.0512","","","","","","1.146","","","","has coordinates","154639","2020-10-21","18:00:00",""
"4132954","11.684","0.001","12.866","0.0012","14.0116","0.0012","90","","90","","90","","2106.3","0.3","296","2","296","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C24 H16 Cl4 Cu5 N4 O9 -","- C24 H16 Cl4 Cu5 N4 O9 -","- C48 H32 Cl8 Cu10 N8 O18 -","2","0.25","","Jiang, Jingjing; Lu, Zhiyong; Zhang, Mingxing; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Higher Symmetry Multinuclear Clusters of Metal-Organic Frameworks for Highly Selective CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2018","140","51","17825","17829","10.1021/jacs.8b07589","","","0.71073","MoKα","","0.0161","0.0157","","","0.0447","0.0453","","","","","","1.096","","","","has coordinates","242814","2020-10-21","18:00:00",""
"4303065","8.0275","0.0016","8.3123","0.0017","22.674","0.005","90","","90","","90","","1513","0.5","120","2","120","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C16 H44 N2 O22 V2 -","- C16 H44 N2 O22 V2 -","- C32 H88 N4 O44 V4 -","2","0.25","","Jana Gáliková; Peter Schwendt; Jozef Tatiersky; Alan S. Tracey; Zdirad Žák","Stereospecific Formation of Dinuclear Vanadium(V) Tartrato Complexes","Inorganic Chemistry","2009","48","","8423","8430","10.1021/ic901024p","","","0.71073","MoKα","","0.0275","0.0261","","","0.0709","0.0716","","","","","","1.069","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4307562","3.797","0.004","10.769","0.007","11.312","0.006","90","","90","","90","","462.5","0.6","150","2","150","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C10 H8 F3 N2 V -","- C10 H8 F3 N2 V -","- C20 H16 F6 N4 V2 -","2","0.25","","David W. Aldous; Nicholas F. Stephens; Philip Lightfoot","Hydrothermal Vanadium Fluoride Chemistry: Four New V3+ Chain Structures","Inorganic Chemistry","2007","46","","3996","4001","10.1021/ic062061p","","","0.6709","synchrotron","","0.0498","0.0379","","","0.0848","0.0907","","","","","","0.922","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4310557","9.348","0.002","12.654","0.002","28.525","0.005","90","","90","","90","","3374.2","1.1","293","2","293","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C52 H40 Cl18 Mn4 N8 O10 -","- C52 H40 Cl18 Mn4 N8 O10 -","- C104 H80 Cl36 Mn8 N16 O20 -","2","0.25","","Nizamuddin Shaikh; Anangamohan Panja; Sanchita Goswami; Pradyot Banerjee; Pavel Vojtíšek; Yuan-Zhu Zhang; Gang Su; Song Gao","Slow Magnetic Relaxation in a Mixed-Valence Mn(II/III) Complex: [MnII2(bispicen)2(μ3-Cl)2MnIII(Cl4Cat)2MnIII(Cl4Cat)2(H2O)2]∞","Inorganic Chemistry","2004","43","","849","851","10.1021/ic035072g","","","0.7107","MoKα","","0.0348","0.0326","","","0.0864","0.0885","","","","","","1.057","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4320687","6.978","0.004","23.7","0.008","5.344","0.005","90","","90","","90","","883.8","1","123.2","","","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C12 H28 Br3 Cu0.5 N4 Pt0.5 -","- C12 H28 Br3 Cu0.5 N4 Pt0.5 -","- C24 H56 Br6 Cu N8 Pt -","2","0.25","","Takuya Kawashima; Kenzi Takai; Hidemitsu Aso; Toshio Manabe; Kouichi Takizawa; Chihiro Kachi-Terajima; Tomohiko Ishii; Hitoshi Miyasaka; Hiroyuki Matsuzaka; Masahiro Yamashita; Hiroshi Okamoto; Hiroshi Kitagawa; Motoo Shiro; Koshiro Toriumi","Syntheses and Physical Properties of Quasi-One-Dimensional Halogen-Bridged CuII-PtIV Mixed-Metal Complexes [Cu(chxn)2][PtX2(chxn)2]X4","Inorganic Chemistry","2001","40","","6651","6655","10.1021/ic010341t","","","0.7107","MoKα","","","0.037","","","","0.098","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4320688","24.237","0.001","5.103","0.001","6.854","0.001","90","","90","","90","","847.7","0.2","293","","","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C24 H56 Cl6 Cu N8 Pt -","- C24 H56 Cl6 Cu0.986 N8 Pt1.014 -","- C24 H56 Cl6 Cu0.986 N8 Pt1.014 -","1","0.125","","Takuya Kawashima; Kenzi Takai; Hidemitsu Aso; Toshio Manabe; Kouichi Takizawa; Chihiro Kachi-Terajima; Tomohiko Ishii; Hitoshi Miyasaka; Hiroyuki Matsuzaka; Masahiro Yamashita; Hiroshi Okamoto; Hiroshi Kitagawa; Motoo Shiro; Koshiro Toriumi","Syntheses and Physical Properties of Quasi-One-Dimensional Halogen-Bridged CuII-PtIV Mixed-Metal Complexes [Cu(chxn)2][PtX2(chxn)2]X4","Inorganic Chemistry","2001","40","","6651","6655","10.1021/ic010341t","","","0.7107","MoKα","","","0.019","","","","0.0236","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321934","8.001","0.005","22.99","0.02","4.982","0.003","90","","90","","90","","916.4","1.1","296","","296","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C12 H28 Cl N6 Ni O6 -","- C12 H28 Cl N8 Ni O8 -","- C24 H56 Cl2 N16 Ni2 O16 -","2","0.25","","Masahiro Yamashita; Toshio Manabe; Kazuo Inoue; Takuya Kawashima; Hiroshi Okamoto; Hiroshi Kitagawa; Tadaoki Mitani; Koshiro Toriumi; Hiroshi Miyamae; Ryuichi Ikeda","Tuning of Spin Density Wave Strengths in Quasi-One-Dimensional Halogen-Bridged NiIII Complexes with Strong Electron Correlations, [NiIII(chxn)2X]Y2","Inorganic Chemistry","1999","38","","1894","1899","10.1021/ic9812499","","","0.71069","xray_tube","","0.073","0.066","","0.058","0.058","","","","5.241","5.533","5.533","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324180","3.7721","0.001","11.346","0.003","28.99","0.007","90","","90","","90","","1240.7","0.6","100","2","100","2","","","","","","","Synthesized by the authors. See text","7","I 2 2 2","I 2 2","23","","","","- C20 H28 Cl2 N12 O2 Pd S2 -","- C20 H28 Cl2 N12 O2 Pd S2 -","- C40 H56 Cl4 N24 O4 Pd2 S4 -","2","0.25","","Adam Duong; Thierry Maris; James D. Wuest","Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Inorganic Chemistry","2011","50","","5605","5618","10.1021/ic2003047","","","1.54178","CuKα","","0.074","0.0734","","","0.1754","0.1758","","","","","","1.149","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4325009","20.8859","0.0014","21.5851","0.0015","22.638","0.0016","90","","90","","90","","10205.8","1.2","173","2","173","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C24 H67 Cl6.75 Fe7.25 N6 O17 -","- C24.5 H54 Cl6.75 Fe7.25 N6 O17.625 -","- C196 H432 Cl54 Fe58 N48 O141 -","8","1","","Shreya Mukherjee; Rashmi Bagai; Khalil A. Abboud; George Christou","Raising the Spin of FeIII7 Disklike Clusters: The Power of Molecular Spin Frustration","Inorganic Chemistry","2011","50","","3849","3851","10.1021/ic200256j","","","0.71073","MoKα","","0.0467","0.0464","","","0.1044","0.1045","","","","","","1.284","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325281","13.172","0.006","17.242","0.008","22.112","0.01","90","","90","","90","","5022","4","100","2","100","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C26.8 H57 N4 Ni5 O20.7 -","- C26.8 H54.4 N4 Ni5 O20.7 -","- C107.2 H217.6 N16 Ni20 O82.8 -","4","0.5","","Tereza Peristeraki; Marianna Samios; Milosz Siczek; Tadeusz Lis; Constantinos J. Milios","Artificial Amino Acids in Nickel(II) and Nickel(II)/Lanthanide(III) Chemistry","Inorganic Chemistry","2011","50","","5175","5185","10.1021/ic2004744","","","0.71073","MoKα","","0.1379","0.0615","","","0.1759","0.1894","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329133","12.2727","0.0008","15.3327","0.0008","15.7225","0.0006","90","","90","","90","","2958.6","0.3","122","1","122","2","","","","","","","","7","I 2 2 2","I 2 2","23","Cr-F-Nd Bipy square","","","- C40 H32 Cr2 F4 N16 Nd2 O24 -","- C40 H32 Cr2 F4 N16 Nd2 O24 -","- C80 H64 Cr4 F8 N32 Nd4 O48 -","2","0.25","","Torben Birk; Kasper S. Pedersen; Christian Aa. Thuesen; Thomas Weyhermüller; Magnus Schau-Magnussen; Stergios Piligkos; Högni Weihe; Susanne Mossin; Marco Evangelisti; Jesper Bendix","Fluoride Bridges as Structure-Directing Motifs in 3d-4f Cluster Chemistry","Inorganic Chemistry","2012","51","","5435","5443","10.1021/ic300421x","","","0.71073","MoKα","","0.088","0.0827","","","0.2217","0.2269","","","","","","1.102","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4339780","13.27","0.02","21.36","0.03","33.87","0.05","90","","90","","90","","9600","2","153","2","153","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C144 H134 Mn16 N72 O63 -","- C144 H96 Mn16 N72 O63 -","- C288 H192 Mn32 N144 O126 -","2","0.25","","Dey, Subrata K.; Abedin, Tareque S. M.; Dawe, Louise N.; Tandon, Santokh S.; Collins, Julie L.; Thompson, Laurence K.; Postnikov, Andrei V.; Alam, Mohammad S.; Müller, Paul","Supramolecular self-assembled polynuclear complexes from tritopic, tetratopic, and pentatopic ligands: structural, magnetic and surface studies.","Inorganic chemistry","2007","46","19","7767","7781","10.1021/ic070336a","","","0.7107","MoKα","","0.13","0.1229","","","0.3582","0.3786","","","","","","1.633","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4341246","28.5482","0.0016","6.103","0.004","5.512","0.003","90","","90","","90","","960.4","0.8","383","2","383","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C24 H56 Cd2 Cl8 N4 -","2","0.25","","Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Li, Peng-Fei; Chen, Li-Zhuang; Zhang, Yi","Temperature-Triggered Reversible Dielectric and Nonlinear Optical Switch Based on the One-Dimensional Organic-Inorganic Hybrid Phase Transition Compound [C6H11NH3]2CdCl4.","Inorganic chemistry","2014","53","20","11146","11151","10.1021/ic501749c","","","0.71073","MoKα","","0.1501","0.1068","","","0.28","0.3083","","","","","","0.926","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4342747","13.501","0.006","13.724","0.006","13.911","0.006","90","","90","","90","","2578","2","110","2","110","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C40 H56 Mn4 O17 -","- C40 H56 Mn4 O17 -","- C80 H112 Mn8 O34 -","2","0.25","","Hailili, Reshalaiti; Wang, Li; Qv, Junzhang; Yao, Ruxin; Zhang, Xian-Ming; Liu, Huwei","Planar Mn4O Cluster Homochiral Metal-Organic Framework for HPLC Separation of Pharmaceutically Important (±)-Ibuprofen Racemate.","Inorganic chemistry","2015","54","8","3713","3715","10.1021/ic502861k","","","1.54178","CuKα","","0.087","0.081","","","0.2288","0.241","","","","","","1.117","","","","has coordinates,has disorder","179530","2020-10-21","18:00:00",""
"4500285","12.002","0.0009","12.6829","0.0005","27.185","0.002","90","","90","","90","","4138.1","0.5","150","2","150","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C14 H21 N2 Na O11 U -","- C14 H19 N2 Na1.00005 O11 U -","- C112 H152 N16 Na8.0004 O88 U8 -","8","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.0414","0.037","","","0.1014","0.1045","","","","","","1.037","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4503406","9.075","0.0009","12.1333","0.0012","29.037","0.003","90","","90","","90","","3197.3","0.6","297","2","297","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C104 H128 Co2 N36 O52 -","- C104 H128 Co2 N36 O52 -","- C104 H128 Co2 N36 O52 -","1","0.125","","Li, Yitao; Meng, Xianggao; Cao, Liping; Wang, Yuzhou; Yin, Guodong; Gao, Meng; Wen, Lili; Wu, Anxin","Self-Assembly of Discrete and Polymeric Metal-Organic Frameworks via a Semirigid Glycoluril-Based Molecular Clip","Crystal Growth & Design","2008","8","5","1645","","10.1021/cg701090c","","","0.71073","MoKα","","0.0588","0.0508","","","0.1304","0.1358","","","","","","1.035","","","","has coordinates,has disorder","179565","2020-10-21","18:00:00",""
"4503407","12.144","0.0009","29.018","0.002","9.1399","0.0006","90","","90","","90","","3220.9","0.4","291","2","291","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C52 H78 N18 O27 Zn -","- C52 H78 N18 O27 Zn -","- C104 H156 N36 O54 Zn2 -","2","0.25","","Li, Yitao; Meng, Xianggao; Cao, Liping; Wang, Yuzhou; Yin, Guodong; Gao, Meng; Wen, Lili; Wu, Anxin","Self-Assembly of Discrete and Polymeric Metal-Organic Frameworks via a Semirigid Glycoluril-Based Molecular Clip","Crystal Growth & Design","2008","8","5","1645","","10.1021/cg701090c","","","0.71073","MoKα","","0.0821","0.0695","","","0.1778","0.1883","","","","","","1.021","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4504372","5.1708","0.0014","9.359","0.003","11.765","0.003","90","","90","","90","","569.3","0.3","273","2","273","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C4 H4 Mg O6 -","- C4 H4 Mg O6 -","- C16 H16 Mg4 O24 -","4","0.5","","Kam, Kinson C.; Young, Karen L. M.; Cheetham, Anthony K.","Chemical and Structural Diversity in Chiral Magnesium Tartrates and their Racemic andMesoAnalogues","Crystal Growth & Design","2007","7","8","1522","","10.1021/cg070388a","","","0.71073","MoKα","","0.0563","0.0523","","","0.1287","0.1311","","","","","","1.132","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4505508","10.039","0.004","15.446","0.005","14.872","0.005","90","","90","","90","","2306.1","1.4","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C38 H29 Co N6 O9 -","- C38 H26 Co N6 O9 -","- C76 H52 Co2 N12 O18 -","2","0.25","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.1239","0.112","","","0.2871","0.3059","","","","","","1.11","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505509","10.3708","0.0003","15.3526","0.0005","15.0072","0.0006","90","","90","","90","","2389.43","0.14","150","2","150","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C38 H29 Co N6 O13 -","- C38 H26 Co N6 O13 -","- C76 H52 Co2 N12 O26 -","2","0.25","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.0978","0.0783","","","0.2198","0.2277","","","","","","1.026","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4516565","18.4486","0.0011","19.2044","0.0012","31.3758","0.0018","90","","90","","90","","11116.3","1.2","174","2","174","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C33 H37 N2 O8 Zn2 -","- C33 H37 N2 O8 Zn2 -","- C264 H296 N16 O64 Zn16 -","8","1","","Nguyen, Edward T.; Zhao, Xiang; Ta, Daniel; Nguyen, Phuong-Lan; Bu, Xianhui","Comparative Study of In Situ and Presynthesized X-Pillar Ligand in Self-Assembly of Homochiral Porous Frameworks","Crystal Growth & Design","2015","15","12","5939","","10.1021/acs.cgd.5b01412","","","0.71073","MoKα","","0.0735","0.0556","","","0.1371","0.144","","","","","","0.984","","","","has coordinates","231381","2020-10-21","18:00:00",""
"4518948","36.922","0.0008","39.257","0.003","42.254","0.0009","90","","90","","90","","61245","5","99.9","0.4","99.9","0.4","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C120 H66 Eu2 N24 O16 Ru2 -","- C120 H66 Eu2 N24 O16 Ru2 -","- C960 H528 Eu16 N192 O128 Ru16 -","8","1","","Weng, Zhen-Zhang; Xu, Han; Zhang, Wei; Zhuang, Gui-Lin; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun","Enantioselective Recognition and Separation of <i>C</i><sub>2</sub> Symmetric Substances via Chiral Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","31","37412","37421","10.1021/acsami.1c10626","","x-ray","1.54184","CuKα","","0.124","0.079","","","0.2313","0.2659","","","","","","1.05","","","","has coordinates","268383","2021-09-03","18:58:17",""
"4518949","37.1447","0.0007","38.972","0.004","42.3711","0.0012","90","","90","","90","","61337","7","100.15","","100.15","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C120 H66 Eu2 N24 O16 Ru2 -","- C120 H66 Eu2 N24 O16 Ru2 -","- C960 H528 Eu16 N192 O128 Ru16 -","8","1","","Weng, Zhen-Zhang; Xu, Han; Zhang, Wei; Zhuang, Gui-Lin; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun","Enantioselective Recognition and Separation of <i>C</i><sub>2</sub> Symmetric Substances via Chiral Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","31","37412","37421","10.1021/acsami.1c10626","","","1.54178","CuKα","","0.1566","0.089","","","0.26","0.317","","","","","","1.079","","","","has coordinates","268384","2021-09-03","18:58:47",""
"6000747","9.9041","","9.886","","13.09","","90","","90","","90","","1281.67","","","","","","","","","","","","","6","I 2 2 2","","","","","","- Al10 Cl2 H16 K12 O48 Si10 -","","","","","","Christensen, A. N.; Fjellvag, H.","Crystal structure determination of zeolite n from synchrotron X-ray powder diffraction data","Acta Chemica Scandinavica","1997","51","","969","973","10.3891/acta.chem.scand.51-0969","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7001472","11.6887","0.0008","11.7792","0.0008","17.1875","0.0012","90","","90","","90","","2366.4","0.3","180","2","180","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C22 H78 F2 Mg6 O22 -","- C22 H78 F2 Mg6 O22.032 -","- C44 H156 F4 Mg12 O44.064 -","2","0.25","","Wuttke, Stefan; Lehmann, Anja; Scholz, Gudrun; Feist, Michael; Dimitrov, Anton; Troyanov, Sergey I.; Kemnitz, Erhard","Investigation of the fluorolysis of magnesium methoxide","Dalton Transactions","2009","","24","4729","4734","10.1039/b901030k","","","0.71073","MoKα","","0.0692","0.0415","","","0.0955","0.1023","","","","","","1.02","","","","has coordinates,has disorder","179712","2020-10-21","18:00:00",""
"7001649","6.7601","0.0006","7.5422","0.0006","34.822","0.003","90","","90","","90","","1775.4","0.3","200","2","200","2","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C8 H40 B5 Co4 N5 O26 P4 -","- C8 H40 B5 Co4 N5 O26 P4 -","- C16 H80 B10 Co8 N10 O52 P8 -","2","0.25","","Lin, Zhuojia; Wragg, David S.; Lightfoot, Philip; Morris, Russell E.","A novel non-centrosymmetric metallophosphate-borate compound via ionothermal synthesis","Dalton Transactions","2009","","27","5287","5289","10.1039/b904450g","","","0.6939","synchrotron","","0.0446","0.0365","","","0.0953","0.0994","","","","","","0.957","","","","has coordinates","179714","2020-10-21","18:00:00",""
"7013569","13.97","0.003","20.45","0.005","37.216","0.005","90","","90","","90","","10632","4","213","2","213","2","","","","","","","","6","I 2 2 2","I 2 2","23","(Mo2(DaniF)2(p-O2CCH(CH3)OC6H4OCH(CH3)CO2)2,4CH2Cl2","","","- C88 H92 Cl8 Mo4 N8 O20 -","- C88 H92 Cl8 Mo4 N8 O20 -","- C352 H368 Cl32 Mo16 N32 O80 -","4","0.5","","Berry, John F.; Cotton, F. Albert; Ibragimov, Sergey A.; Murillo, Carlos A.; Wang, Xiaoping","A molecular loop with interstitial channels in a chiral environment: exploration of the chemistry of Mo24+ species with chiral and non-chiral dicarboxylate anions","Dalton Transactions","2003","","22","4297","","10.1039/b310151g","","","0.71073","MoKα","","0.1488","0.1102","","","0.2226","0.2404","","","","","","1.151","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7033310","10.9793","0.0018","16.526","0.003","22.757","0.004","90","","90","","90","","4129.1","1.2","296","2","296","2","","","","","","","","8","I 2 2 2","I 2 2","23","","","","- C10 H44 Ga2 Mn3 N10 O2 S10 Sn2 -","- C10 H44 Ga1.999 Mn3.01 N10 O1.3 S10 Sn2 -","- C40 H176 Ga7.996 Mn12.04 N40 O5.2 S40 Sn8 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Feng, Li-Juan; Wang, Chen; Gong, Ya-Ping; Liu, Xin-Ying","[Mn2Ga4Sn4S20](8-) T3 supertetrahedral nanocluster directed by a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2416","2424","10.1039/c4dt02864c","","","0.71073","MoKα","","0.0437","0.0327","","","0.09","0.0972","","","","","","1.012","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7039382","11.4359","0.0006","16.1026","0.001","18.6442","0.0013","90","","90","","90","","3433.3","0.4","200","2","200","2","","","","","","","","8","I 2 2 2","I 2 2","23","","","","- C48 H74 Cl Cu2 Dy N10 O14 S4 -","- C48 H74 Cl Cu2 Dy N10 O14 S4 -","- C96 H148 Cl2 Cu4 Dy2 N20 O28 S8 -","2","0.25","","Nguyen, H. H.; Jegathesh, J. J.; Takiden, A.; Hauenstein, D.; Pham, C. T.; Le, C. D.; Abram, U.","2,6-Dipicolinoylbis(N,N-dialkylthioureas) as versatile building blocks for oligo- and polynuclear architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10771","10779","10.1039/c6dt01389a","","","0.71073","MoKα","","0.0465","0.0405","","","0.098","0.1005","","","","","","0.88","","","","has coordinates","185338","2020-10-21","18:00:00",""
"7045626","19.196","0.004","27.013","0.005","21.601","0.004","90","","90","","90","","11201","4","293","2","293","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C36 H18 O16 U2 -","- C36 H18 O16 U2 -","- C288 H144 O128 U16 -","8","1","","Xu, Wei; Ren, Ya-Nan; Xie, Miao; Zhou, Lin-Xia; Zheng, Yue-Qing","Six uranyl-organic frameworks with naphthalene-dicarboxylic acid and bipyridyl-based spacers: syntheses, structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4236","4250","10.1039/c7dt04909a","","","0.71073","MoKα","","0.0684","0.0555","","","0.1454","0.1825","","","","","","1.194","","","","has coordinates","230044","2020-10-21","18:00:00",""
"7048470","21.695","0.0002","21.7955","0.0002","23.4279","0.0005","90","","90","","90","","11078","0.3","150","","150","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C64 H36 Cl2 Dy0.5 N6 O2 -","- C64 H36 Cl2 Dy0.5 N6 O2 -","- C512 H288 Cl16 Dy4 N48 O16 -","8","1","","Sun, Nana; Wang, Hailong; Liu, Tao; Qi, Dongdong; Jiang, Jianzhuang","Magnetic investigations over reversibly switched chiral (phthalocyaninato)(porphyrinato) dysprosium double-decker compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1586","1590","10.1039/c8dt04008g","","","0.71073","MoKα","","0.1946","0.1153","","","0.2426","0.2975","","","","","","1.076","","","","has coordinates","224008","2020-10-21","18:00:00",""
"7052163","13.8593","0.0016","12.171","0.0019","20.914","0.002","90","","90","","90","","3527.8","0.8","293","2","293","2","","","","","","","","6","I 2 2 2","I 2 2","23","bis(mu2-R,R-N,N'-(2-methyl-8-buthoxyquinoline)-1,2-trans-cyclohexanedi-imine) -di-copper(i) diperchlorate","","","- C68 H80 Cl2 Cu2 N8 O12 -","- C68 H80 Cl2 Cu2 N8 O12 -","- C136 H160 Cl4 Cu4 N16 O24 -","2","0.25","","Pallavicini, Piersandro; Boiocchi, Massimo; Dacarro, Giacomo; Mangano, Carlo","Enhanced kinetic inertness in the electrochemical interconversion of Cu(i) double helical to Cu(ii) monomeric complexes","New Journal of Chemistry","2007","31","6","927","","10.1039/b700488e","","","0.71073","MoKα","","0.1482","0.0638","","","0.1369","0.1776","","","","","","0.992","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7057123","12.2018","0.0004","13.4499","0.0004","16.2572","0.0005","90","","90","","90","","2668.02","0.14","150","2","150","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C17 H24 Bi I5 N2 -","- C17 H24 Bi I5 N2 -","- C68 H96 Bi4 I20 N8 -","4","0.5","","Kotov, Vitalii Yu.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Smol’yakov, Alexander F.; Kozyukhin, Sergey A.","Black hybrid iodobismuthate containing linear anionic chains","New Journal of Chemistry","2018","42","8","6354","","10.1039/C7NJ04948J","","","0.71073","MoKα","","0.0454","0.0425","","","0.1137","0.1149","","","","","","1.387","","","","has coordinates","230234","2020-10-21","18:00:00",""
"7102778","23.067","0.0014","23.176","0.0014","24.948","0.0014","90","","90","","90","","13337.2","1.4","293","2","293","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C40 H58 Cu3 N16 O27 V10 -","- C40 H56 Cu3 N16 O27 V10 -","- C320 H448 Cu24 N128 O216 V80 -","8","1","","Lan, Ya-Qian; Li, Shun-Li; Su, Zhong-Min; Shao, Kui-Zhan; Ma, Jian-Fang; Wang, Xin-Long; Wang, En-Bo","Spontaneous resolution of a 3D chiral polyoxometalate-based polythreaded framework consisting of an achiral ligand","Chemical Communications (Cambridge, United Kingdom)","2008","","1","58","60","10.1039/b714413j","","","0.71069","MoKα","","0.0868","0.0549","","","0.1107","0.1269","","","","","","1.006","","","","has coordinates","210571","2020-10-21","18:00:00",""
"7102779","23.067","0.001","23.176","0.001","24.948","0.0009","90","","90","","90","","13337.2","0.9","293","2","293","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C40 H58 Cu3 N16 O27 V10 -","- C40 H56 Cu3 N16 O27 V10 -","- C320 H448 Cu24 N128 O216 V80 -","8","1","","Lan, Ya-Qian; Li, Shun-Li; Su, Zhong-Min; Shao, Kui-Zhan; Ma, Jian-Fang; Wang, Xin-Long; Wang, En-Bo","Spontaneous resolution of a 3D chiral polyoxometalate-based polythreaded framework consisting of an achiral ligand","Chemical Communications (Cambridge, United Kingdom)","2008","","1","58","60","10.1039/b714413j","","","0.71069","MoKα","","0.079","0.0539","","","0.1121","0.1232","","","","","","1.045","","","","has coordinates","210571","2020-10-21","18:00:00",""
"7104064","10.92","0.03","14.03","0.04","19.96","0.06","90","","90","","90","","3060","16","293","2","293","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C46 H44 Cu2 O20 -","- C46 H24 Cu2 O20 -","- C92 H48 Cu4 O40 -","2","0.25","","Cui, Yong; Ngo, Helen L.; White, Peter S.; Lin, Wenbin","Homochiral 3D open frameworks assembled from 1- and 2-D coordination polymers","Chemical Communications (Cambridge, United Kingdom)","2003","","8","994","995","10.1039/b211916a","","","0.71073","MoKα","","0.176","0.1194","","","0.2626","0.2899","","","","","","1.358","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7108224","17.9269","0.0009","19.2699","0.001","50.45","0.003","90","","90","","90","","17427.9","1.6","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C150 Co5 N10 O41 Zn4 -","- C150 Co5 N10 O41 Zn4 -","- C300 Co10 N20 O82 Zn8 -","2","0.25","","Teng Zhang; Feijie Song; Wenbin Lin","Blocking bimolecular activation pathways leads to different regioselectivity in metal-organic framework catalysis","Chem.Commun.","2012","48","","8766","","10.1039/c2cc34033j","","","1.54178","CuKα","","0.1027","0.0839","","","0.2247","0.2389","","","","","","1.451","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108449","13.728","0.0009","19.597","0.0013","25.876","0.0013","90","","90","","90","","6961.4","0.7","200","2","200","2","","","","","","","Crystals formed by slow diffusion from the reaction of Fe7a(MeOH)with bpea in methanol.","5","I 2 2 2","I 2 2","23","Fe7abpea","","","- C30 H42.5 Fe N4 O8.25 -","- C30.06 H28.9 Fe N4 O8.26 -","- C240.48 H231.2 Fe8 N32 O66.08 -","8","1","","Wolfgang Bauer; Stephan Schlamp; Birgit Weber","A Ladder type Iron(II) Coordination Polymer with Cooperative Spin Transition","Chem.Commun.","2012","48","","10222","","10.1039/c2cc35109a","","","0.71073","MoKα","","0.2688","0.0857","","","0.204","0.2841","","","","","","0.98","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7112342","14.2234","0.0002","17.5944","0.0004","21.3698","0.0004","90","","90","","90","","5347.84","0.17","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C100 H164 Cu2 N8 O16 -","- C100 H164 Cu2 N8 O16 -","- C200 H328 Cu4 N16 O32 -","2","0.25","","do Pim, Walace D.; Oliveira, Willian X. C.; Ribeiro, Marcos A.; de Faria, Érica N; Teixeira, Ivo F.; Stumpf, Humberto O.; Lago, Rochel M.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Figueiredo, Jr, João C D; Nunes, Wallace C.; de Souza, Patterson P.; Pedroso, Emerson F.; Castellano, María; Cano, Joan; Julve, Miguel","A pH-triggered bistable copper(II) metallacycle as a reversible emulsion switch for biphasic processes.","Chemical communications (Cambridge, England)","2013","49","92","10778","10780","10.1039/c3cc46242k","","","0.71073","MoKα","","0.0528","0.049","","","0.1443","0.15","","","","","","1.167","","","","has coordinates,has disorder","180237","2020-10-21","18:00:00",""
"7114393","17.371","0.002","18.477","0.003","23.918","0.002","90","","90","","90","","7676.8","1.7","173","2","173","2","","","","","","","","8","I 2 2 2","I 2 2","23","","","","- C42.5 H41 Cl2.5 D0.5 Ir N O P2 -","- C42.5 H41 Cl2.5 Ir N O P2 -","- C340 H328 Cl20 Ir8 N8 O8 P16 -","8","1","","Carmona, Daniel; Ferrer, Joaquina; Lorenzo, Mónica; Santander, Manuel; Ponz, Sergio; Lahoz, Fernando J.; López, José A.; Oro, Luis A.","Diastereoselective formation of chiral iridium hydrides containing the chiral P,N-chelate ligand (4S)-2-(2-(diphenylphosphino)phenyl)-4-isopropyl-1,3-oxazolineElectronic supplementary information (ESI) available: selected analytical and spectroscopic data for 1. See http://www.rsc.org/suppdata/cc/b2/b200518b/","Chemical Communications","2002","","8","870","","10.1039/b200518b","","","0.71073","MoKα","","0.075","0.0357","","","0.0703","0.078","","","","","","0.811","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7116724","13.164","0.002","18.573","0.003","19.615","0.003","90","","90","","90","","4795.8","1.3","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C48 H56 Lu N3 P2 -","- C48 H56 Lu N3 P2 -","- C192 H224 Lu4 N12 P8 -","4","0.5","","Rong, Weifeng; He, Dongliang; Wang, Meiyan; Mou, Zehuai; Cheng, Jianhua; Yao, Changguang; Li, Shihui; Trifonov, Alexander A.; Lyubov, Dmitrii M.; Cui, Dongmei","Neutral binuclear rare-earth metal complexes with four μ2-bridging hydrides","Chemical Communications (Cambridge, United Kingdom)","2015","51","24","5063","5065","10.1039/c4cc07262f","","","0.71073","MoKα","","0.1568","0.1179","","","0.2619","0.2889","","","","","","1.053","","","","has coordinates","210898","2020-10-21","18:00:00",""
"7116725","13.1802","0.0019","18.73","0.003","19.619","0.002","90","","90","","90","","4843.2","1.2","173","2","173","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C108 H112 N6 P4 Y2 -","- C108 H112 N6 P4 Y2 -","- C216 H224 N12 P8 Y4 -","2","0.25","","Rong, Weifeng; He, Dongliang; Wang, Meiyan; Mou, Zehuai; Cheng, Jianhua; Yao, Changguang; Li, Shihui; Trifonov, Alexander A.; Lyubov, Dmitrii M.; Cui, Dongmei","Neutral binuclear rare-earth metal complexes with four μ2-bridging hydrides","Chemical Communications (Cambridge, United Kingdom)","2015","51","24","5063","5065","10.1039/c4cc07262f","","","0.71073","MoKα","","0.2187","0.1346","","","0.2963","0.3451","","","","","","1.038","","","","has coordinates","210898","2020-10-21","18:00:00",""
"7116850","15.3648","0.0009","19.7305","0.0011","23.6393","0.0013","90","","90","","90","","7166.4","0.7","190","2","190","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C136 H96 N16 O16 Zn4 -","- C136 H96 N16 O16 Zn4 -","- C272 H192 N32 O32 Zn8 -","2","0.25","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.0566","0.0425","","","0.0899","0.0941","","","","","","0.953","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116851","15.337","0.0006","19.7279","0.0014","23.6518","0.0012","90","","90","","90","","7156.2","0.7","190","2","190","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C136 H96 N16 O16 Zn4 -","- C136 H96 N16 O16 Zn4 -","- C272 H192 N32 O32 Zn8 -","2","0.25","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.0731","0.048","","","0.0958","0.1021","","","","","","0.954","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7117859","8.5465","0.0009","15.9683","0.0017","20.726","0.002","90","","90","","90","","2828.5","0.5","100","2","100.15","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C24 H16 Cr2 N4 Ni O7 -","- C24 H16 Cr2 N4 Ni O7 -","- C96 H64 Cr8 N16 Ni4 O28 -","4","0.5","","Hayley S. Scott; Alankriti Bajpai; Kai-Jie Chen; Tony Pham; Brian Space; John J. Perry,IV; Michael J. Zaworotko","Novel mode of 2-fold interpenetration observed in a primitive cubic network of formula [Ni(1,2-bis(4-pyridyl)acetylene)2(Cr2O7)]n","Chem.Commun.","2015","51","","14832","","10.1039/C5cc05866J","","","1.54178","CuKα","","0.1902","0.0956","","","0.204","0.2406","","","","","","0.982","","","","has coordinates,has disorder","158311","2020-10-21","18:00:00",""
"7120236","12.0617","0.0012","14.2056","0.0011","17.7773","0.0012","90","","90","","90","","3046","0.4","298","2","298","2","","","","","","","","6","I 2 2 2","I 2 2","23","tppe-Cd","1","","- C46 H60 Cd Cl2 N4 O14 -","- C46 H32 Cd Cl2 N4 -","- C92 H64 Cd2 Cl4 N8 -","2","0.25","","Zhao, Si-Si; Chen, Li; Wang, Lei; Xie, Zhigang","Two tetraphenylethene-containing coordination polymers for reversible mechanochromism","Chem. Commun.","2017","","","","","10.1039/C7CC02139A","","","0.71073","MoKα","","0.044","0.0391","","","0.0807","0.0845","","","","","","1.032","","","","has coordinates","197632","2020-10-21","18:00:00",""
"7121962","19.7257","0.0011","25.1015","0.0019","25.7068","0.0017","90","","90","","90","","12728.6","1.5","123","2","123","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C204 H192 B5 F20 N36 Ni4 -","- C204 H192 B5 F20 N36 Ni4 -","- C408 H384 B10 F40 N72 Ni8 -","2","0.25","","Bao, Ling-Yu; Hao, Si-Jia; Xi, Sai-Fei; Yan, Xiaodong; Zhang, Hai-Xia; Shen, Rui; Gu, Zhi-Guo","Chiral supramolecular coordination cages as high-performance inhibitors against amyloid-β aggregation.","Chemical communications (Cambridge, England)","2018","54","63","8725","8728","10.1039/c8cc04913k","","","0.71073","MoKα","","0.1624","0.0964","","","0.2217","0.2445","","","","","","1.102","","","","has coordinates","228166","2020-10-21","18:00:00",""
"7123231","18.7382","0.0005","28.3032","0.0008","31.3664","0.0007","90","","90","","90","","16635.2","0.7","90","0.2","90","0.2","","","","","","","","5","I 2 2 2","I 2 2","23","","mtm-B-Zn2+","","- C416 H544 B8 O257 Zn4 -","- C416 H544 B8 O257 Zn4 -","- C416 H544 B8 O257 Zn4 -","1","0.125","","Hou, Caixia; Rohr, Jürgen; Parkin, Sean; Tsodikov, Oleg V.","How mithramycin stereochemistry dictates its structure and DNA binding function.","MedChemComm","2019","10","5","735","741","10.1039/c9md00100j","","","1.54178","CuKα","","0.0693","0.0508","","","0.1413","0.159","","","","","","1.052","","","","has coordinates,has disorder","224645","2020-10-21","18:00:00",""
"7124083","3.6808","0.0001","15.8713","0.0006","18.2288","0.0006","90","","90","","90","","1064.91","0.06","100","2","100","","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C21 H16 Cl N3 Pt -","- C21 H16 Cl N3 Pt -","- C42 H32 Cl2 N6 Pt2 -","2","0.25","","Yang, Jing; Sun, Lili; Hao, Liang; Yang, Gang-Gang; Zou, Zhi-Cong; Cao, Qian; Ji, Liang-Nian; Mao, Zong-Wan","A halogen ion-selective phosphorescence turn-on probe based on induction of Pt‒Pt interactions","Chemical Communications","2019","","","","","10.1039/C9CC05093K","","","1.54178","CuKα","","0.0636","0.0634","","","0.188","0.1882","","","","","","1.164","","","","has coordinates,has disorder","217849","2020-10-21","18:00:00",""
"7125121","10.307","0.003","18.544","0.005","27.144","0.007","90","","90","","90","","5188","2","100","2","100","2","","","","","","","","8","I 2 2 2","I 2 2","23","","","","- C30 H55 Au3 Co2 N6 O18 S6 Zn -","- C30 H55 Au3 Co2 N6 O18 S6 Zn -","- C120 H220 Au12 Co8 N24 O72 S24 Zn4 -","4","0.5","","Surinwong, Sireenart; Yoshinari, Nobuto; Kojima, Tatsuhiro; Konno, Takumi","A drastic change in the superhydrophilic crystal porosities of metallosupramolecular structures via a slight change in pH.","Chemical communications (Cambridge, England)","2016","52","87","12893","12896","10.1039/c6cc06943f","","","0.7002","synchrotron","","0.0451","0.0383","","","0.0793","0.0818","","","","","","1.012","","","","has coordinates,has disorder","234533","2020-10-21","18:00:00",""
"7127814","14.8055","0.0004","18.0071","0.0004","19.8803","0.0006","90","","90","","90","","5300.2","0.2","123","2","123","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C114 H154 Mg5 N8 -","- C114 H154 Mg5 N8 -","- C228 H308 Mg10 N16 -","2","0.25","","de Bruin-Dickason, Caspar N; Rosengarten, Christopher A.; Deacon, Glen B.; Jones, Cameron","Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands.","Chemical communications (Cambridge, England)","2021","57","13","1599","1602","10.1039/d0cc07947b","","","0.71073","MoKα","","0.0337","0.0307","","","0.0751","0.0764","","","","","","1.052","","","","has coordinates,has disorder","262486","2021-03-05","01:19:40",""
"7201511","14.8555","0.0004","21.215","0.0007","24.2022","0.0006","90","","90","","90","","7627.6","0.4","100","2","100","2","","","","","","","","5","I 2 2 2","I 2 2","23","2(C60-)*(ZnOEP2.BPy)*2(TDAE+)*(C6H4Cl2)0.25*(C6H6)0.75","","","- C228 H149.5 Cl0.5 N18 Zn2 -","- C228 H149.504 Cl0.496 N18 Zn2 -","- C456 H299.008 Cl0.992 N36 Zn4 -","2","0.25","","Konarev, Dmitri V.; Khasanov, Salavat S.; Slovokhotov, Yury L.; Saito, Gunzi; Lyubovskaya, Rimma N.","Neutral and ionic complexes of C60 with (ZnOEP)2·BPy coordination dimers","CrystEngComm","2008","10","1","48","","10.1039/b708100f","","","0.71073","MoKα","","0.0571","0.0496","","","0.1401","0.1466","","","","","","1.077","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7203222","7.115","0.001","10.121","0.002","23.154","0.004","90","","90","","90","","1667.3","0.5","293","2","293","2","","","","","","","","4","I 2 2 2","I 2 2","23","","hexaamminecobalt(III) chloride diazide","","- Cl4 Co3 H54 N33 -","- Cl4 Co3 H54 N33 -","- Cl8 Co6 H108 N66 -","2","0.25","","Pal Sharma, Raj; Bala, Ritu; Sharma, Rajni; Venugopalan, Paloth","‘Rings and rectangles’ mediated through weak interactions in ionic solids: Synthesis and packing analysis of [Co(NH3)6]Cl2SeCN and [Co(NH3)6]3Cl4(N3)5 in the crystalline state","CrystEngComm","2006","8","3","215","","10.1039/b516629b","","","0.71073","MoKα","","0.0322","0.0275","","","0.0679","0.0706","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207472","11.202","0.01","12.897","0.011","28.51","0.02","90","","90","","90","","4119","6","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C50 H80 Cu4 N14 O24 -","- C50 H80 Cu4 N14 O24 -","- C100 H160 Cu8 N28 O48 -","2","0.25","","Lou, Benyong; Wei, Yongqin; Lin, Qi","The dipeptide-based chiral binuclear complex capturing 4,4′-bipyridine to form a 3D supramolecular framework with a 1D channel","CrystEngComm","2012","14","6","2040","","10.1039/c2ce06486c","","","0.71073","MoKα","","0.091","0.0658","","","0.1647","0.1838","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209475","5.6","","5.25","","9.04","","90","","90","","90","","265.776","","","","","","","","","","","","","3","I 2 2 2","I 2 2","23","","B (P S4)","","- B P S4 -","- B P S4 -","- B2 P2 S8 -","2","0.25","","Schaefer, H.; Weiss, A.","Zur Kenntnis von Bortetrathiophosphat B P S4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1963","18","","81","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213043","5.2702","0.0015","5.2674","0.0007","14.231","0.0011","90","","90","","90","","395.06","0.13","297","2","297","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C H Mo0.5 N0.5 O1.5 -","- C H Mo0.5 N0.5 O1.5 -","- C8 H8 Mo4 N4 O12 -","8","1","","Xu, Yan; Lu, Jianjiang; Goh, Ngoh K.","Hydrothermal assembly and crystal structures of three novel open frameworks based on molybdenum(vi) oxides","Journal of Materials Chemistry","1999","9","7","1599","","10.1039/a901592b","","","0.71073","MoKα","","0.0179","0.0169","","0.0433","0.0414","","","","1.194","1.201","1.201","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219048","10.8851","0.0012","11.8615","0.001","13.9326","0.001","90","","90","","90","","1798.9","0.3","293","2","293","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C24 H16 Ag In N4 O8 -","- C24 H16 Ag In N4 O8 -","- C48 H32 Ag2 In2 N8 O16 -","2","0.25","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","High and Selective Sorption of C2 Hydrocarbons in Heterometal-Organic Frameworks Built from Tetrahedral Units","RSC Adv.","2014","","","","","10.1039/C4RA13058H","","","0.71073","MoKα","","0.0694","0.0612","","","0.1564","0.1699","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7232435","10.2288","0.0005","15.2173","0.0007","15.2087","0.0006","90","","90","","90","","2367.31","0.18","130","2","130","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C40 H28 F16 O14 Zn2 -","- C40 H28 F16 O14 Zn2 -","- C80 H56 F32 O28 Zn4 -","2","0.25","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0326","0.0314","","","0.077","0.0782","","","","","","1.034","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7234726","10.659","0.0019","12.327","0.002","18.406","0.004","90","","90","","90","","2418.4","0.8","293","2","293","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C16 H8 Dy0.5 N8 O12 Zn2 -","- C16 H8 Dy0.5 N8 O12 Zn2 -","- C64 H32 Dy2 N32 O48 Zn8 -","4","0.5","","Yu-Fei Li; Dan Wang; Zhuang Liao; Yang Kang; Wei-Hua Ding; Xiang-Jun Zheng; Lin-Pei Jin","Luminescence tuning of the Dy-Zn metal-organic framework and its application in the detection of Fe(iii) ions","Journal of Materials Chemistry C","2016","4","","4211","4217","10.1039/C6TC00832A","","","0.71073","MoKα","","0.0478","0.0455","","","0.144","0.1457","","","","","","1.166","","","","has coordinates,has disorder","219425","2020-10-21","18:00:00",""
"7245949","29.9967","0.0004","17.1308","0.0002","14.7811","0.0002","90","","90","","90","","7595.53","0.17","100","0.14","100","0.14","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C30 H28 N4 O3 Zn1.5 -","- C30 H28 N4 O3 Zn1.5 -","- C240 H224 N32 O24 Zn12 -","8","1","","Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping","Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence","CrystEngComm","2023","25","3","484","489","10.1039/D2CE01530G","","","1.54184","CuKα","","0.0571","0.0518","","","0.1471","0.1504","","","","","","1.088","","","","has coordinates","281465","2023-03-04","18:23:02",""
"7245950","14.7259","0.0002","17.3191","0.0002","30.0077","0.0004","90","","90","","90","","7653.14","0.17","99.98","0.12","99.98","0.12","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C30 H28 N4 O3 Zn1.5 -","- C30 H28 N4 O3 Zn1.5 -","- C240 H224 N32 O24 Zn12 -","8","1","","Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping","Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence","CrystEngComm","2023","25","3","484","489","10.1039/D2CE01530G","","x-ray","1.54178","CuKα","","0.0443","0.0426","","","0.1232","0.1251","","","","","","1.049","","","","has coordinates","281465","2023-03-04","18:23:02",""
"7701762","10.5585","0.0007","20.1286","0.0014","34.786","0.003","90","","90","","90","","7393","1","100","","100","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C50 H106 N8 O Si8 Sm2 -","- C50 H106 N8 O Si8 Sm2 -","- C200 H424 N32 O4 Si32 Sm8 -","4","0.5","","Kazeminejad, Neda; Münzfeld, Luca; Gamer, Michael T.; Roesky, Peter W.","Mono- and bimetallic amidinate samarium complexes - synthesis, structure, and hydroamination catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8153","8160","10.1039/c9dt01418g","","","0.71073","MoKα","","0.1752","0.0984","","","0.2236","0.2681","","","","","","1.017","","","","has coordinates","223352","2020-10-21","18:00:00",""
"7703949","11.3684","0.0011","15.6863","0.0016","18.5667","0.0012","90","","90","","90","","3311","0.5","156","2","156.15","","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C64 H96 Mg Na2 O8 -","- C64 H96 Mg Na2 O8 -","- C128 H192 Mg2 Na4 O16 -","2","0.25","","Yeardley, Callum; Kennedy, Alan R.; Gros, Philippe C.; Touchet, Sabrina; Fairley, Michael; McLellan, Ross; Martínez-Martínez, Antonio J; O'Hara, Charles T","Structural and metal-halogen exchange reactivity studies of sodium magnesiate biphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5257","5263","10.1039/d0dt00904k","","","0.71073","MoKα","","0.0513","0.0426","","","0.1066","0.1128","","","","","","1.043","","","","has coordinates,has disorder","251615","2020-10-21","18:00:00",""
"7704152","10.8913","0.0008","11.6608","0.0008","19.6414","0.0015","90","","90","","90","","2494.5","0.3","301","2","301","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- H39 K3 Nb14 O58 Si -","- K3 Nb14 O58 Si -","- K6 Nb28 O116 Si2 -","2","0.25","","Zhang, Ting-Ting; Lin, Po-Han; Yu, Gui-Yang; Zhang, Xiao; Cui, Xiao-Bing","Syntheses, characterization and properties of two new dodeca-niobates presenting unprecedented features.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6495","6503","10.1039/d0dt00953a","","","0.71073","MoKα","","0.0845","0.0758","","","0.2183","0.229","","","","","","1.062","","","","has coordinates","252779","2020-10-21","18:00:00",""
"7705961","11.753","0.0007","12.4417","0.0007","20.3709","0.0011","90","","90","","90","","2978.8","0.3","120","2","120","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C8 H14 Ag3 N3 O12 -","- C8 H12 Ag2.9999 N3 O11 -","- C64 H96 Ag23.9992 N24 O88 -","8","1","","Rendošová, Michaela; Gyepes, Róbert; Maruščáková, Ivana Cingeľová; Mudroňová, Dagmar; Sabolová, Danica; Kello, Martin; Vilková, Mária; Almáši, Miroslav; Huntošová, Veronika; Zemek, Ondřej; Vargová, Zuzana","An in vitro selective inhibitory effect of silver(i) aminoacidates against bacteria and intestinal cell lines and elucidation of the mechanism of action by means of DNA binding properties, DNA cleavage and cell cycle arrest.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","936","953","10.1039/d0dt03332d","","","0.71073","MoKα","","0.0153","0.0152","","","0.0389","0.0389","","","","","","1.211","","","","has coordinates,has disorder","261690","2021-02-04","23:18:31",""
"7707332","11.907","0.003","14.568","0.003","16.881","0.004","90","","90","","90","","2928.2","1.2","298","2","298","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C58 H60 Cl2 Co N8 O4 -","- C58 H60 Cl2 Co N8 O4 -","- C116 H120 Cl4 Co2 N16 O8 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71073","MoKα","","0.0846","0.0596","","","0.1683","0.2031","","","","","","1.072","","","","has coordinates","266101","2021-06-05","19:00:27",""
"7707333","11.926","0.005","14.364","0.006","17.229","0.007","90","","90","","90","","2951","2","298","2","298","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C46 H40 Cl2 Co N4 O4 -","- C46 H40 Cl2 Co N4 O4 -","- C92 H80 Cl4 Co2 N8 O8 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71073","MoKα","","0.1293","0.0749","","","0.1974","0.2261","","","","","","0.968","","","","has coordinates","266101","2021-06-05","19:00:27",""
"7707334","11.8964","0.0016","14.5101","0.0019","17.098","0.002","90","","90","","90","","2951.4","0.7","298","2","298","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C62 H76 Cl2 Co N8 -","- C62 H76 Cl2 Co N8 -","- C124 H152 Cl4 Co2 N16 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71073","MoKα","","0.0784","0.059","","","0.1737","0.1899","","","","","","1.065","","","","has coordinates","266101","2021-06-05","19:00:27",""
"7707335","12.13","0.005","14.882","0.007","16.881","0.007","90","","90","","90","","3047","2","298","2","298","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C62 H72 Cl2 Co N4 O4 -","- C62 H72 Cl2 Co N4 O4 -","- C124 H144 Cl4 Co2 N8 O8 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71073","MoKα","","0.0944","0.0648","","","0.1717","0.1924","","","","","","1.043","","","","has coordinates","266101","2021-06-05","19:00:27",""
"7707336","12.234","0.005","14.694","0.005","16.978","0.005","90","0.005","90","0.005","90","0.005","3052.1","1.9","298","2","298","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C54 H56 Cl2 Co N4 O4 -","- C54 H56 Cl2 Co N4 O4 -","- C108 H112 Cl4 Co2 N8 O8 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71069","MoKα","","0.1351","0.0845","","","0.2357","0.2692","","","","","","1.091","","","","has coordinates","266101","2021-06-05","19:00:27",""
"7707337","11.997","0.004","14.189","0.005","17.245","0.005","90","","90","","90","","2935.5","1.7","298","2","298","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C58 H56 Cl2 Co N4 O4 -","- C58 H56 Cl2 Co N4 O4 -","- C116 H112 Cl4 Co2 N8 O8 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71073","MoKα","","0.0678","0.0516","","","0.1405","0.1568","","","","","","1.071","","","","has coordinates","266101","2021-06-05","19:00:27",""
"7707338","11.969","0.014","14.578","0.016","17.092","0.02","90","","90","","90","","2982","6","298","2","298","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C46 H32 Cl2 Co N4 -","- C46 H32 Cl2 Co N4 -","- C92 H64 Cl4 Co2 N8 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71073","MoKα","","0.0635","0.045","","","0.12","0.1309","","","","","","0.916","","","","has coordinates","266101","2021-06-05","19:00:27",""
"8104363","9.978","","9.978","","13.215","","90","","90","","90","","1315.69","","","","","","","","","","","","","4","I 2 2 2","I 2 2","23","","Rb9.8 (Al10 Si10 O40) (H2 O)13","","- Al10 O45.44 Rb9.8 Si10 -","- Al10 O45.44 Rb9.8 Si10 -","- Al10 O45.44 Rb9.8 Si10 -","1","0.125","","Baerlocher, C.; Barrer, R.M.","The crystal structure of synthetic zeolite F","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1974","140","","10","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","173145","2020-10-21","18:00:00",""
"9008255","10.767","","5.411","","16.118","","90","","90","","90","","939.038","","","","","","","","","","","","Konjo mine, Japan","5","I 2 2 2","I 2 2","23","","","Stannoidite","- Cu8 Fe2.15 S12 Sn2 Zn0.85 -","- Cu8 Fe2.15 S12 Sn2 Zn0.85 -","- Cu16 Fe4.3 S24 Sn4 Zn1.7 -","2","0.25","","Kudoh, Y.; Takeuchi, Y.","The superstructure of stannoidite","Zeitschrift fur Kristallographie","1976","144","","145","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009558","8.984","","8.937","","8.927","","90","","90","","90","","716.749","","","","","","","","","","","","","5","I 2 2 2","I 2 2","23","","","Tsaregorodtsevite","- C4 Al N O12 Si5 -","- C3.99996 Al N O12 Si5 -","- C7.99992 Al2 N2 O24 Si10 -","2","0.25","","Sokolova, E. V.; Rybakov, V. B.; Pautov, L. A.; Pushcharovsky D Yu","Structural changes in tsaregorodtsevite","Doklady Akademii Nauk SSSR","1993","332","","309","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9017830","8.984","","8.937","","8.927","","90","","90","","90","","716.749","","","","","","","","","","","","Northern Ural Mountains, Mankhambo region, Russia","5","I 2 2 2","I 2 2","23","","","Tsaregorodtsevite","- C4 Al N O12 Si5 -","- C3.99996 Al N O12 Si5 -","- C7.99992 Al2 N2 O24 Si10 -","2","0.25","","Sokolova, E. V.; Rybakov, V. B.; Pautov, L. A.","The crystal structure of a new natural tetramethylammonium aluminosilicate [N(CH3)4][Si2(Si0.5Al0.5)O6]2 Note: H atoms not located","Soviet Physics Doklady","1991","36","","267","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""