# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T12:59:45+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 4 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
"1502564","39.8657","0.0012","39.8657","0.0012","38.2114","0.0013","90","","90","","90","","60728","3","103","2","103","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C108 H104 Cl2 N2 O2 P2 Pd2 -","- C84 H80 Cl2 N2 O2 P2 Pd2 -","- C2016 H1920 Cl48 N48 O48 P48 Pd48 -","24","1.5","","Huang, Yinhua; Chew, Renta Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Direct synthesis of chiral tertiary diphosphines via Pd(II)-catalyzed asymmetric hydrophosphination of dienones.","Organic letters","2011","13","21","5862","5865","10.1021/ol202480r","","","0.71073","MoKα","","0.0891","0.0665","","","0.1648","0.1752","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1528520","12.86","","12.86","","5.56","","90","","90","","90","","919.511","","","","","","","","","","","","","5","I 4 2 2","I 4 2","97","","Sr Ag2 I4 (H2 O)8","","- Ag2 H16 I4 O8 Sr -","- Ag2 I4 O8 Sr -","- Ag4 I8 O16 Sr2 -","2","0.125","","Geller, S.; Dudley, T.O.","The Crystal Structure of Strontium Tetraiododiargentate Octahydrate, Sr Ag2 I4 (H2 O)8","Journal of Solid State Chemistry","1978","26","","321","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539547","7.483","","7.483","","14.893","","90","","90","","90","","833.938","","","","","","","","","","","","","4","I 4 2 2","I 4 2","97","","Th Ca2 (Si8 O20)","","- Ca2 O20 Si8 Th -","- Ca2 O20 Si8 Th -","- Ca4 O40 Si16 Th2 -","2","0.125","","Szymanski, J.T.; Owens, D.R.; Chao, G.Y.; Roberts, A.C.; Ansell, H.G.","A mineralogical study and cristal-structure determination of nonmetamicht ekanite, Th Ca2 Si8 O20","Canadian Mineralogist","1982","20","","65","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1548200","32.2284","0.0004","32.2284","0.0004","38.2801","0.0007","90","","90","","90","","39760.4","1","150","2","150","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C512 H320 N120 O8 Pd6 Ru8 -","- C512 H320 N120 O8 Pd6 Ru8 -","- C1024 H640 N240 O16 Pd12 Ru16 -","2","0.125","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","x-ray","1.54184","","","0.1199","0.0711","","","0.1898","0.2375","","","","","","1.008","","","","has coordinates","203537","2020-10-21","18:00:00",""
"1548201","32.5722","0.0006","32.5722","0.0006","38.7258","0.0009","90","","90","","90","","41086.1","1.4","150","2","150","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C512 H320 N120 O8 Pd6 Ru8 -","- C512 H320 N120 O8 Pd6 Ru8 -","- C1024 H640 N240 O16 Pd12 Ru16 -","2","0.125","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","x-ray","1.54184","CuKα","","0.1523","0.0913","","","0.2275","0.268","","","","","","1.038","","","","has coordinates","203538","2020-10-21","18:00:00",""
"1556601","19.78","0.001","19.78","0.001","20.291","0.001","90","","90","","90","","7938.8","0.7","170","2","170","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C56 H80 N32 S8 Zn4 -","- C56 H80 N32 S8 Zn4 -","- C112 H160 N64 S16 Zn8 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.2583","0.1616","","","0.3933","0.4359","","","","","","1.145","","","","has coordinates","245239","2020-10-21","18:00:00",""
"1556602","19.0949","0.0011","19.0949","0.0011","21.3112","0.0013","90","","90","","90","","7770.4","0.8","293","2","293","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C80 H64 N32 S8 Zn4 -","- C80 H64 N32 S8 Zn4 -","- C160 H128 N64 S16 Zn8 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","x-ray","0.71073","MoKα","","0.2697","0.1635","","","0.3885","0.443","","","","","","1.189","","","","has coordinates","245240","2020-10-21","18:00:00",""
"1556603","20.065","0.002","20.065","0.002","19.1367","0.0018","90","","90","","90","","7704.5","1.3","170","2","170","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C48 H64 N32 Ni4 O S8 -","- C48 H64 N32 Ni4 O S8 -","- C96 H128 N64 Ni8 O2 S16 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.3209","0.1743","","","0.4296","0.4928","","","","","","1.102","","","","has coordinates","245241","2020-10-21","18:00:00",""
"1556604","18.8863","0.0009","18.8863","0.0009","18.4813","0.001","90","","90","","90","","6592.1","0.6","293","2","293","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C40 H48 N32 Ni4 S8 -","- C40 H48 N32 Ni4 S8 -","- C80 H96 N64 Ni8 S16 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.2531","0.1191","","","0.3035","0.3937","","","","","","0.989","","","","has coordinates,has disorder","245242","2020-10-21","18:00:00",""
"1556605","20.4341","0.0015","20.4341","0.0015","19.355","0.0019","90","","90","","90","","8081.7","1.2","293","2","293","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C56 H80 N32 Ni4 S8 -","- C56 H80 N32 Ni4 S8 -","- C112 H160 N64 Ni8 S16 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.161","0.1086","","","0.3048","0.3618","","","","","","1.224","","","","has coordinates","245243","2020-10-21","18:00:00",""
"1558403","23.715","0.002","23.715","0.002","56.802","0.005","90","","90","","90","","31946","5","200","","200","","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C144 H168 Br8 Cl6 Mo6 Na4 O138 -","- C144 H168 Br8 Cl6 Mo6 O142 -","- C576 H672 Br32 Cl24 Mo24 O568 -","4","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.2301","0.1011","","","0.2643","0.3499","","","","","","0.988","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558404","23.7708","0.0016","23.7708","0.0016","57.456","0.004","90","","90","","90","","32466","4","200","","200","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C144 H168 Cl6 I8 Mo6 O138 -","- C144 H168 Cl6 I8 Mo6 O137 -","- C576 H672 Cl24 I32 Mo24 O548 -","4","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.1493","0.1108","","","0.2881","0.3443","","","","","","1.065","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1568595","35.7254","0.0005","35.7254","0.0005","34.3472","0.0012","90","","90","","90","","43837.5","1.8","130","2","130","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C192 H224 Cl42 O189.6 W18 -","- C192 H224 Cl42 O189.6 W18 -","- C768 H896 Cl168 O758.4 W72 -","4","0.25","","Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.","Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs","Inorganics","2023","11","2","77","","10.3390/inorganics11020077","","x-ray","0.71073","MoKα","","0.1326","0.0657","","","0.1563","0.1922","","","","","","1.026","","","","has coordinates,has disorder","281630","2023-03-05","07:50:42",""
"1568929","23.0719","0.0003","23.0719","0.0003","14.7983","0.0004","90","","90","","90","","7877.3","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C96 H80 Al8 N32 O40 -","- C96 H88 Al8 N32 O40 -","- C192 H176 Al16 N64 O80 -","2","0.125","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.3405","GaKα","","0.0842","0.0707","","","0.2046","0.2193","","","","","","0.988","","","","has coordinates","284230","2023-06-05","04:04:46",""
"1568930","22.85","0.0003","22.85","0.0003","14.9095","0.0004","90","","90","","90","","7784.6","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C124 H100 Al8 N32 O44 -","- C124 H108 Al8 N32 O44 -","- C248 H216 Al16 N64 O88 -","2","0.125","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.54184","CuKα","","0.1055","0.0967","","","0.267","0.2804","","","","","","1.21","","","","has coordinates","284230","2023-06-05","04:04:46",""
"1570455","38.021","0.013","38.021","0.013","19.702","0.004","90","","90","","90","","28481","15","297","","297","","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C96 H118 Cl O16 Ti4 -","- C96 H118 Cl O16 Ti4 -","- C768 H944 Cl8 O128 Ti32 -","8","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34138","GaKα","","0.086","0.0591","","","0.1627","0.1802","","","","","","0.994","","","","has coordinates,has disorder","288764","2024-01-06","07:36:01",""
"1570676","2.12045","","2.12045","","2.45424","","90","","90","","90","","11.035","","","","","","","","","","","","","2","I 4 2 2","I 4 2","97","","","","- C4 O -","- C4 O -","- C8 O2 -","2","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"1570687","2.37485","","2.37485","","2.16458","","90","","90","","90","","12.208","","","","","","","","","","","","","3","I 4 2 2","I 4 2","97","","","","- C4 N2 O -","- C4 N2 O -","- C8 N4 O2 -","2","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"2021860","8.876","0.001","8.876","0.001","12.672","0.001","90","","90","","90","","998.34","0.18","293","","293","","","","","","","","Decompressed crystal taken at ambient conditions in 4 weeks after exposure at P = 20.27 GPa within the Ne pressure transmitting media","6","I 4 2 2","I 4 2","97","Ne-MAPbI3","neon methylammonium lead iodide","","- C H6 I3 N Ne0.973 Pb -","- C H6 I3 N Ne0.973 Pb -","- C4 H24 I12 N4 Ne3.892 Pb4 -","4","0.25","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","x-ray","0.7153","synchrotron","","0.0492","0.035","","","0.0469","0.049","","","","1.92","1.92","1.73","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2107954","8.88375","0.00018","8.88375","0.00018","12.701","0.0003","90","","90","","90","","1002.38","0.04","293","","293","","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.25","DK5045","Arakcheeva, Alla; Chernyshov, Dmitry; Spina, Massimo; Forró, László; Horváth, Endre","CH~3~NH~3~PbI~3~: precise structural consequences of water absorption at ambient conditions","Acta Crystallographica Section B","2016","72","5","716","722","10.1107/S2052520616010428","","","0.68362","synchrotron","","0.0129","0.0118","","","0.0149","0.0153","","","","","","1.19","","","","has coordinates","186964","2020-10-21","18:00:00",""
"2108657","21.91","0.02","21.91","0.02","25.44","0.03","90","","90","","90","","12212","2","100","","100","","","","","","","","","4","I 4 2 2","I 4 2","97","","","","- C260 H264 N24 O40 -","- C260 H264 N24 O40 -","- C520 H528 N48 O80 -","2","0.125","LO5072","Gilski, Miroslaw; Bernatowicz, Piotr; Sakowicz, Arkadiusz; Szymański, Marek P.; Zalewska, Aldona; Szumna, Agnieszka; Jaskólski, Mariusz","C~60~ in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620009944","","","0.8266","synchrotron","","0.0889","0.0845","","","0.2386","0.2587","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","255737","2020-10-21","18:00:00",""
"4002356","11.1763","","11.1763","","5.4794","","90","","90","","90","","684.43","","","","","","","","","","","","","3","I 4 2 2","I 4 2","97","","(Fe0.237 Sn0.77)3 Zr5","","- Fe0.711 Sn2.31 Zr5 -","- Fe0.715 Sn2.303 Zr5 -","- Fe2.86 Sn9.212 Zr20 -","4","0.25","","Kwon Young-Uk; Sevov, S.C.; Corbett, J.D.","Substituted W5 Si3- and Zr6 Al2 Co-phases formed in the zirconium-antimony and zirconium-tin systems with iron group metals","Chemistry of Materials (1,1989-)","1990","2","","550","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","149415","2020-10-21","18:00:00",""
"4033255","13.0141","0.0008","13.0141","0.0008","40.507","0.003","90","","90","","90","","6860.5","0.8","200","2","200","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C60 H80 N4 O17 Rh2 -","- C60 H80 N4 O17 Rh2 -","- C240 H320 N16 O68 Rh8 -","4","0.25","","O'Brien, Jessica G K; Chintala, Srinivasa R.; Fox, Joseph M.","Stereoselective Synthesis of Bicyclo[6.1.0]nonene Precursors of the Bioorthogonal Reagents s-TCO and BCN.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02329","","","0.71073","MoKα","","0.0375","0.0364","","","0.1035","0.1055","","","","","","1.063","","","","has coordinates,has disorder","204025","2020-10-21","18:00:00",""
"4109792","28.885","0.004","28.885","0.004","28.305","0.006","90","","90","","90","","23616","7","100","2","100","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C304 H216 Cu24 O144 S8 -","- C304 H216 Cu24 O171.56 S8 -","- C608 H432 Cu48 O343.12 S16 -","2","0.125","","John J. Perry; Victor Ch. Kravtsov; Gregory J. McManus; Michael J. Zaworotko","Bottom up Synthesis That Does Not Start at the Bottom: Quadruple Covalent Cross-Linking of Nanoscale Faceted Polyhedra","Journal of the American Chemical Society","2007","129","","10076","10077","10.1021/ja0734952","","","0.71073","MoKα","","0.282","0.1032","","","0.257","0.2874","","","","","","1","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4126341","23.8984","0.0011","23.8984","0.0011","34.8186","0.0019","90","","90","","90","","19886.1","1.7","200","2","200","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C96 H200 Br14 O100 Ta6 -","- C96 H160 Br14 O86 Ta6 -","- C384 H640 Br56 O344 Ta24 -","4","0.25","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.71073","MoKα","","0.0997","0.0717","","","0.1883","0.2121","","","","","","1.143","","","","has coordinates,has disorder","200096","2020-10-21","18:00:00",""
"4133559","32.5147","0.0006","32.5147","0.0006","37.7674","0.0008","90","","90","","90","","39927.9","1.3","150","0.1","150","0.1","","","","","","","","8","I 4 2 2","I 4 2","97","","","","- C508.8 H317.76 B16 F64 Fe8 N120 O7.68 Pd6 -","- C508.8 H317.76 B16 F64 Fe8 N120 O7.68 Pd6 -","- C1017.6 H635.52 B32 F128 Fe16 N240 O15.36 Pd12 -","2","0.125","","Hou, Ya-Jun; Wu, Kai; Wei, Zhang-Wen; Li, Kang; Lu, Yu-Lin; Zhu, Cheng-Yi; Wang, Jing-Si; Pan, Mei; Jiang, Ji-Jun; Li, Guang-Qin; Su, Cheng-Yong","Design and Enantioresolution of Homochiral Fe(II)-Pd(II) Coordination Cages from Stereolabile Metalloligands: Stereochemical Stability and Enantioselective Separation.","Journal of the American Chemical Society","2018","140","51","18183","18191","10.1021/jacs.8b11152","","","1.54184","CuKα","","0.0883","0.0624","","","0.1669","0.1808","","","","","","0.88","","","","has coordinates","243316","2020-10-21","18:00:00",""
"4133560","32.3616","0.0012","32.3616","0.0012","37.4948","0.0019","90","","90","","90","","39267","3","150","0.1","150","0.1","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C488 H303.2 Fe8 N120 O5.6 Pd6 -","- C488 H303.2 Fe8 N120 O5.6 Pd6 -","- C976 H606.4 Fe16 N240 O11.2 Pd12 -","2","0.125","","Hou, Ya-Jun; Wu, Kai; Wei, Zhang-Wen; Li, Kang; Lu, Yu-Lin; Zhu, Cheng-Yi; Wang, Jing-Si; Pan, Mei; Jiang, Ji-Jun; Li, Guang-Qin; Su, Cheng-Yong","Design and Enantioresolution of Homochiral Fe(II)-Pd(II) Coordination Cages from Stereolabile Metalloligands: Stereochemical Stability and Enantioselective Separation.","Journal of the American Chemical Society","2018","140","51","18183","18191","10.1021/jacs.8b11152","","","1.54184","CuKα","","0.1755","0.1029","","","0.2742","0.3318","","","","","","0.932","","","","has coordinates","243317","2020-10-21","18:00:00",""
"4133834","7.053","0.0001","7.053","0.0001","24.161","0.0015","90","","90","","90","","1201.88","0.08","358","2","358","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C28 H52 Eu N12 O28 Rb -","- C40 Eu N12 O20 Rb -","- C40 Eu N12 O20 Rb -","1","0.0625","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0479","0.0422","","","0.0974","0.0995","","","","","","1.198","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133837","7.0629","0.0002","7.0629","0.0002","24.3073","0.0017","90","","90","","90","","1212.56","0.1","383","2","383","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C28 H52 N12 O28 Rb Sm -","- C40 N12 O20 Rb Sm -","- C40 N12 O20 Rb Sm -","1","0.0625","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0736","0.0708","","","0.1624","0.164","","","","","","1.224","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133855","7.0884","0.0002","7.0884","0.0002","24.3105","0.0017","90","","90","","90","","1221.49","0.1","380","2","380","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C28 H52 Ce N12 O28 Rb -","- C40 Ce N12 O20 Rb -","- C40 Ce N12 O20 Rb -","1","0.0625","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0622","0.0506","","","0.11","0.1139","","","","","","1.034","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4134801","20.9233","0.0005","20.9233","0.0005","26.342","0.0001","90","","90","","90","","11532.1","0.4","100","2","100","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C35 H44 B20 Cu2 N O9 -","- C35 H44 B20 Cu2 N O9 -","- C280 H352 B160 Cu16 N8 O72 -","8","0.5","","Gan, Lei; Chidambaram, Arunraj; Fonquernie, Pol G.; Light, Mark E.; Choquesillo-Lazarte, Duane; Huang, Hongliang; Solano, Eduardo; Fraile, Julio; Viñas, Clara; Teixidor, Francesc; Navarro, Jorge A. R.; Stylianou, Kyriakos C.; Planas, José G.","A Highly Water-Stable meta-Carborane-Based Copper Metal‒Organic Framework for Efficient High-Temperature Butanol Separation","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01008","","x-ray","0.72932","synchrotron","","0.047","0.0456","","","0.1396","0.1413","","","","","","1.066","","","","has coordinates,has disorder","251190","2020-10-21","18:00:00",""
"4304741","13.4338","0.0007","13.4338","0.0007","13.8003","0.0008","90","","90","","90","","2490.5","0.2","296","1","296","1","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C40 H56 Cu4 N16 Pt2 -","- C40 H56 Cu4 N16 Pt2 -","- C80 H112 Cu8 N32 Pt4 -","2","0.125","","Keisuke Umakoshi; Takashi Kojima; Keizo Saito; Seiji Akatsu; Masayoshi Onishi; Shoji Ishizaka; Noboru Kitamura; Yoshihide Nakao; Shigeyoshi Sakaki; Yoshiki Ozawa","Heteropolynuclear Complexes of 3,5-Dimethylpyrazolate [Pt2M4(Me2pz)8] (M = Ag, Cu). Highly Luminescent Character of the Triplet Excited State Based on Mixed-Metal Cores","Inorganic Chemistry","2008","47","","5033","5035","10.1021/ic702310t","","","0.71073","MoKα","","0.0985","0.055","","","0.083","0.0968","","","","","","1.062","","","","has coordinates","179085","2020-10-21","18:00:00",""
"4312052","14.4466","0.0008","14.4466","0.0008","12.0711","0.0009","90","","90","","90","","2519.3","0.3","300","2","300","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C44 H68 Cl2 N8 O4 Re2 -","- C44 H60 Cl2 N8 O4 Re2 -","- C88 H120 Cl4 N16 O8 Re4 -","2","0.125","","Michael Q. Dequeant; Patricia M. Bradley; Guo-Lin Xu; Daniel A. Lutterman; Claudia Turro; Tong Ren","Dirhenium Paddlewheel Compounds Supported by N,N'-Dialkylbenzamidinates: Synthesis, Structures, and Photophysical Properties","Inorganic Chemistry","2004","43","","7887","7892","10.1021/ic0487981","","","0.71073","MoKα","","0.0386","0.0304","","","0.0858","0.0903","","","","","","1.053","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4318162","14.07","0.0014","14.07","0.0014","11.953","0.0012","90","","90","","90","","2366.3","0.4","293","2","293","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C44 H44 Cl2 N8 O4 Ru2 -","- C44 H44 Cl2 N8 O4 Ru2 -","- C88 H88 Cl4 N16 O8 Ru4 -","2","0.125","","Guolin Xu; Charles Campana; Tong Ren","Tetrakis(N,N'-dimethylbenzamidinato)diruthenium(III) Compounds Bearing Axial Chloro and Alkynyl Ligands: A New Family of Redox Rich Diruthenium Compounds","Inorganic Chemistry","2002","41","","3521","3527","10.1021/ic0200794","","","0.71073","MoKα","","0.0337","0.0239","","","0.0586","0.0645","","","","","","1.054","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4321041","10.4935","0.0006","10.4935","0.0006","14.6146","0.001","90","","90","","90","","1609.27","0.17","296","2","296","2","","","","","","","synthesized","5","I 4 2 2","I 4 2","97","","[tetrakis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a] pyrimidinate)diplatinum(III)]dichloride","","- C28 H48 Cl2 N12 Pt2 -","- C28 H48 Cl2 N12 Pt2 -","- C56 H96 Cl4 N24 Pt4 -","2","0.125","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; James P. Donahue; Carlos A. Murillo; Daren J. Timmons","Completion of the Series of M2(hpp)4Cl2 Compounds from W to Pt: The W, Os, and Pt Compounds","Inorganic Chemistry","2000","39","","2581","2584","10.1021/ic991370v","","","0.71073","MoKα","","0.0625","0.0457","","0.1177","0.1081","","","","1.101","1.163","1.163","","","","","has coordinates","179313","2020-10-21","18:00:00",""
"4325161","17.0154","0.0018","17.0154","0.0018","45.5","0.005","90","","90","","90","","13173","2","200","2","200","2","","","","","","","","9","I 4 2 2","I 4 2","97","","","","- C108 H139.52 F12 N20 Na O25.76 P2 Ru4 S4 -","- C108 H104 F12 N20 Na O25.75 P2 Ru4 S4 -","- C432 H416 F48 N80 Na4 O103 P8 Ru16 S16 -","4","0.25","","Motoshi Tamura; Kiyoshi Tsuge; Asako Igashira-Kamiyama; Takumi Konno","Bis(bipyridine)ruthenium(II) Complexes with an Aliphatic Sulfinato Donor: Synthesis, Characterization, and Properties","Inorganic Chemistry","2011","50","","4764","4771","10.1021/ic102319p","","","0.71075","MoKα","","0.0575","0.0562","","","0.1952","0.1962","","","","","","1.759","","","","has coordinates,has disorder","289268","2024-02-02","08:58:43",""
"4336797","19.265","0.003","19.265","0.003","31.373","0.006","90","","90","","90","","11644","3","291","2","291.15","","","","","","","","","4","I 4 2 2","I 4 2","97","","","","- C240 H208 Eu9 O58 -","- C240 H208 Eu9 O58 -","- C480 H416 Eu18 O116 -","2","0.125","","Bin Zhang; Ting Xiao; Chunmei Liu; Qian Li; Yanyan Zhu; Mingsheng Tang; Chenxia Du; Maoping Song","Systematic Study of the Luminescent Europium-Based Nonanuclear Clusters with Modified 2-Hydroxybenzophenone Ligands","Inorganic Chemistry","2013","52","","13332","13340","10.1021/ic401191e","","","0.71073","MoKα","","0.0643","0.0441","","","0.0851","0.0933","","","","","","0.998","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4518319","16.6433","0.0002","16.6433","0.0002","23.8476","0.0004","90","","90","","90","","6605.77","0.16","150","0.1","150","0.1","","","","","","","","4","I 4 2 2","I 4 2","97","","","","- C14 H8 O6 Ti -","- C14 H8 O6 Ti -","- C224 H128 O96 Ti16 -","16","1","","Sun, Yayong; Lu, Dong-Fei; Sun, Yuexin; Gao, Mei-Yan; Zheng, Nan; Gu, Cheng; Wang, Fei; Zhang, Jian","Large Titanium-Oxo Clusters as Precursors to Synthesize the Single Crystals of Ti-MOFs","ACS Materials Letters","2020","","","64","68","10.1021/acsmaterialslett.0c00456","","x-ray","1.54184","CuKα","","0.04","0.0384","","","0.1072","0.1089","","","","","","1.084","","","","has coordinates","259875","2020-12-14","22:45:23",""
"4518320","18.7537","0.0003","18.7537","0.0003","21.8194","0.0005","90","","90","","90","","7673.9","0.2","99.9","0.6","99.9","0.6","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C14 H8 O7 S Ti -","- C14 H8 O7 S Ti -","- C224 H128 O112 S16 Ti16 -","16","1","","Sun, Yayong; Lu, Dong-Fei; Sun, Yuexin; Gao, Mei-Yan; Zheng, Nan; Gu, Cheng; Wang, Fei; Zhang, Jian","Large Titanium-Oxo Clusters as Precursors to Synthesize the Single Crystals of Ti-MOFs","ACS Materials Letters","2020","","","64","68","10.1021/acsmaterialslett.0c00456","","x-ray","1.3405","GaKα","","0.058","0.0529","","","0.1621","0.1669","","","","","","1.104","","","","has coordinates","259875","2020-12-14","22:45:34",""
"7000973","14.8119","0.0014","14.8119","0.0014","32.741","0.006","90","","90","","90","","7183.1","1.6","293","2","293","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C52 H80 Au2 Cl2 N16 O6 S12 -","- C52 H80 Au2 Cl2 N16 O6 S12 -","- C208 H320 Au8 Cl8 N64 O24 S48 -","4","0.25","","Castiñeiras, Alfonso; Dehnen, Stefanie; Fuchs, Andreas; García-Santos, Isabel; Sevillano, Paloma","Stabilization of gold(I) and gold(III) complexes by pyridil bis{3-hexamethylene-iminylthiosemicarbazone}: spectroscopic, structural and computational study","Dalton Transactions","2009","","15","2731","2739","10.1039/b811897c","","","0.71073","MoKα","","0.0628","0.0383","","","0.1075","0.127","","","","","","1.079","","","","has coordinates","209582","2020-10-21","18:00:00",""
"7013622","15.558","0.003","15.558","0.003","26.922","0.008","90","","90","","90","","6517","3","150","","150","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C55 H97 K O16 Ti -","- C56 H52 K O16 Ti -","- C224 H208 K4 O64 Ti4 -","4","0.25","","Petrella, Antonella J.; Craig, Donald C.; Lamb, Robert N.; Raston, Colin L.; Roberts, Nicholas K.","A facile route to hetero-bimetallic Ti(iv)-alkali metal calix[4]arene complexes","Dalton Transactions","2003","","24","4590","","10.1039/b310635g","","","0.71073","MoKα","","","0.125","","","","0.176","","","","","","2.63","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7017295","11.9264","0.0001","11.9264","0.0001","20.0544","0.0003","90","","90","","90","","2852.52","0.05","100","1","100","1","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C40 H40 Ca Cl8 N2 O16 Sn -","- C40 H40 Ca Cl8 N2 O16 Sn -","- C80 H80 Ca2 Cl16 N4 O32 Sn2 -","2","0.125","","Abrahams, Brendan F.; Grannas, Martin J.; Hudson, Timothy A.; Hughes, Steven A.; Pranoto, Naomi H.; Robson, Richard","Synthesis, structure and host-guest properties of (Et(4)N)(2)[Sn(iv)Ca(ii)(chloranilate)(4)], a new type of robust microporous coordination polymer with a 2D square grid structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12242","12247","10.1039/c1dt10962f","","","0.71073","MoKα","","0.0201","0.0182","","","0.0432","0.0441","","","","","","1.094","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017296","11.9699","0.0003","11.9699","0.0003","20.341","0.0009","90","","90","","90","","2914.43","0.17","100","1","100","2","","","","","","","","8","I 4 2 2","I 4 2","97","","","","- C42 H40 Ca Cl8 N2 O16 S4 Sn -","- C40 H40 Ca Cl8 N2 O16 S4 Sn -","- C80 H80 Ca2 Cl16 N4 O32 S8 Sn2 -","2","0.125","","Abrahams, Brendan F.; Grannas, Martin J.; Hudson, Timothy A.; Hughes, Steven A.; Pranoto, Naomi H.; Robson, Richard","Synthesis, structure and host-guest properties of (Et(4)N)(2)[Sn(iv)Ca(ii)(chloranilate)(4)], a new type of robust microporous coordination polymer with a 2D square grid structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12242","12247","10.1039/c1dt10962f","","","0.71073","MoKα","","0.0431","0.0364","","","0.0895","0.0928","","","","","","1.088","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017297","11.9523","0.0002","11.9523","0.0002","20.209","0.0007","90","","90","","90","","2887.01","0.12","100","1","100","1","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C44 H47 Ca Cl8 N4 O16.5 Sn -","- C44 H40 Ca Cl8 N4 O16.5 Sn -","- C88 H80 Ca2 Cl16 N8 O33 Sn2 -","2","0.125","","Abrahams, Brendan F.; Grannas, Martin J.; Hudson, Timothy A.; Hughes, Steven A.; Pranoto, Naomi H.; Robson, Richard","Synthesis, structure and host-guest properties of (Et(4)N)(2)[Sn(iv)Ca(ii)(chloranilate)(4)], a new type of robust microporous coordination polymer with a 2D square grid structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12242","12247","10.1039/c1dt10962f","","","0.71073","MoKα","","0.0436","0.0355","","","0.0744","0.0787","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017298","11.9869","0.0002","11.9869","0.0002","20.7309","0.0004","90","","90","","90","","2978.74","0.09","100","1","100","1","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C46 H56 Ca Cl8 N2 O20 Sn -","- C46 H52 Ca Cl8 N2 O20 Sn -","- C92 H104 Ca2 Cl16 N4 O40 Sn2 -","2","0.125","","Abrahams, Brendan F.; Grannas, Martin J.; Hudson, Timothy A.; Hughes, Steven A.; Pranoto, Naomi H.; Robson, Richard","Synthesis, structure and host-guest properties of (Et(4)N)(2)[Sn(iv)Ca(ii)(chloranilate)(4)], a new type of robust microporous coordination polymer with a 2D square grid structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12242","12247","10.1039/c1dt10962f","","","0.71073","MoKα","","0.0303","0.0287","","","0.0773","0.0783","","","","","","1.145","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7021757","11.2091","0.0007","11.2091","0.0007","13.959","0.0011","90","","90","","90","","1753.9","0.2","173","","173","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C30 H30 Cu F12 N6 P2 -","- C32 H20 Cu F12 N4 P2 -","- C64 H40 Cu2 F24 N8 P4 -","2","0.125","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","","0.0299","","","","0.0769","","","","","","1.134","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7051328","11.809","0.002","11.809","0.002","13.108","0.002","90","","90","","90","","1827.9","0.5","293","2","293","2","","","","","","","","6","I 4 2 2","I 4 2","97","Fe2[Mo(CN)8].8H20","","","- C8 H16 Fe2 Mo N8 O8 -","- C8 Fe2 Mo N8 O8 -","- C32 Fe8 Mo4 N32 O32 -","4","0.25","","Amandeep K. Sra; Guillaume Rombaut; Frédéric Lahitête; Stéphane Golhen; Lahcène Ouahab; Corine Mathonière; J. V. Yakhmi; (the late) Olivier Kahn","Hepta/octa cyanomolybdates with Fe2+: influence of the valence state of Mo on the magnetic behavior","New J. Chem.","2000","24","11","871","876","10.1039/b004566g","","","0.71073","MoKα","","0.0782","0.0555","","","0.1414","0.1482","","","","","","1.288","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7117182","18.5097","0.0003","18.5097","0.0003","36.1113","0.0015","90","","90","","90","","12372.1","0.6","293","2","293","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C15 H29 Cu4 I4 N4 -","- C15 H29 Cu4 I4 N4 -","- C240 H464 Cu64 I64 N64 -","16","1","","Yao Kang; Wei-Hui Fang; Lei Zhang; Jian Zhang","A structure-directing method to prepare semiconductive zeolitic cluster-organic frameworks with Cu3I4 building units","Chem.Commun.","2015","51","","8994","","10.1039/C5cc02598B","","","0.71073","MoKα","","0.0553","0.039","","","0.1064","0.1136","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7123917","23.8167","0.0014","23.8167","0.0014","57.132","0.004","90","","90","","90","","32407","4","200","","200","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C150 H156 N6 O146 Re6 Se8 -","- C150 H156 N6 O144 Re6 Se8 -","- C600 H624 N24 O576 Re24 Se32 -","4","0.25","","Ivanov, Anton A.; Falaise, Clément; Landy, David; Haouas, Mohamed; Mironov, Yuri V.; Shestopalov, Michael A.; Cadot, Emmanuel","Tuning the chaotropic effect as an assembly motif through one-electron transfer in rhenium cluster","Chemical Communications","2019","","","","","10.1039/C9CC05136H","","","0.71073","MoKα","","0.0676","0.0497","","","0.1498","0.1657","","","","","","1.085","","","","has coordinates","217260","2020-10-21","18:00:00",""
"7131970","7.135","0.0005","7.135","0.0005","24.284","0.004","90","","90","","90","","1236.3","0.2","420","2","420","2","","","","","","","","4","I 4 2 2","I 4 2","97","","","","- C16 Bi1.33 I12 N8 -","- C16 Bi1.3332 I12 N8 -","- C16 Bi1.3332 I12 N8 -","1","0.0625","","Peng, Hang; Liu, Qin; Lu, Yan-Zi; Yang, Shu-Jing; Qi, Jun-Chao; Chen, Xiao-Gang; Liao, Wei-Qiang","A chiral two-dimensional perovskite-like lead-free bismuth(III) iodide hybrid with high phase transition temperature.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02798h","","","1.54184","CuKα","","0.1272","0.0962","","","0.2061","0.2234","","","","","","1.007","","","","has coordinates","285451","2023-08-04","21:55:55",""
"7150104","23.135","0.002","23.135","0.002","31.904","0.003","90","","90","","90","","17076","3","150","2","150","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C104 H83 Na8 O63 S8 -","- C104 H88 Na8 O59.52 S8 -","- C416 H352 Na32 O238.08 S32 -","4","0.25","","Cooper, Alan; Nutley, Margaret; MacLean, Elizabeth J.; Cameron, Ken; Fielding, Lee; Mestres, Jordi; Palin, Ronald","Mutual induced fit in cyclodextrin-rocuronium complexes.","Organic & biomolecular chemistry","2005","3","10","1863","1871","10.1039/b415903a","","","0.6883","synchrotron","","0.2","0.1842","","","0.4216","0.4435","","","","","","1.939","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7227200","12.8199","0.0009","12.8199","0.0009","32.617","0.004","90","","90","","90","","5360.6","0.8","293","2","293","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C54 H52 B2 Cu F7.97 N4 O4 -","- C54 H52 B2 Cu F7.931 N4 O4 -","- C216 H208 B8 Cu4 F31.724 N16 O16 -","4","0.25","","Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius","Coordination polymers constructed from tetrahedral-shaped adamantane tectons","CrystEngComm","2017","19","1","27","","10.1039/C6CE02146H","","x-ray","1.54184","CuKα","","0.1507","0.1033","","","0.2671","0.3199","","","","","","1.086","","","","has coordinates,has disorder","191576","2020-10-21","18:00:00",""
"7236798","24.556","0.004","24.556","0.004","17.68","0.003","90","","90","","90","","10661","3","100","2","100","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C128 H208 Co4 N40 O76 P8 -","- C128 H120 Co4 N32 O25 P8 -","- C256 H240 Co8 N64 O50 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1589","0.0861","","","0.2665","0.3228","","","","","","1.058","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236799","24.58","0.003","24.58","0.003","17.611","0.003","90","","90","","90","","10640","3","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H206 Co4 Cs N41 O78 P8 -","- C128 H120 Co4 Cs N32 O25.992 P8 -","- C256 H240 Co8 Cs2 N64 O51.984 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.0556","0.0375","","","0.1002","0.1133","","","","","","1.028","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236800","24.81","0.002","24.81","0.002","17.8094","0.0015","90","","90","","90","","10962.3","1.6","100","2","100","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C128 H204 N40 Ni4 O74 P8 -","- C128 H120 N32 Ni4 O25 P8 -","- C256 H240 N64 Ni8 O50 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1308","0.0668","","","0.1981","0.2478","","","","","","1.066","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236801","24.524","0.012","24.524","0.012","17.661","0.008","90","","90","","90","","10622","9","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H202.5 Co4 N40.25 Na0.25 O74 P8 -","- C128 H120 Co4 N32 Na0.25 O22.25 P8 -","- C256 H240 Co8 N64 Na0.5 O44.5 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.2055","0.0879","","","0.2355","0.3072","","","","","","0.947","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236802","24.382","0.002","24.382","0.002","17.522","0.003","90","","90","","90","","10417","2","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H186 K N41 Ni4 O68 P8 -","- C128 H120 K N32 Ni4 O24 P8 -","- C256 H240 K2 N64 Ni8 O48 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.09","0.0495","","","0.1333","0.1602","","","","","","1.036","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236803","24.57","0.008","24.57","0.008","17.699","0.007","90","","90","","90","","10685","6","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H194 N41 Ni4 O72 P8 Rb -","- C128 H120 N32 Ni4 O25 P8 Rb -","- C256 H240 N64 Ni8 O50 P16 Rb2 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1893","0.0618","","","0.1452","0.1943","","","","","","0.963","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236804","24.399","0.007","24.399","0.007","17.576","0.005","90","","90","","90","","10463","5","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H189.5 N40.25 Na0.25 Ni4 O67.5 P8 -","- C128 H120 N32 Na0.25 Ni4 O22.75 P8 -","- C256 H240 N64 Na0.5 Ni8 O45.5 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.0653","0.052","","","0.1496","0.1664","","","","","","1.081","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236805","24.404","0.004","24.404","0.004","17.589","0.003","90","","90","","90","","10475","3","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H198 Co4 K N41 O74 P8 -","- C128 H120 Co4 K N32 O24 P8 -","- C256 H240 Co8 K2 N64 O48 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1907","0.0692","","","0.1819","0.2402","","","","","","0.977","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236806","24.507","0.006","24.507","0.006","17.716","0.006","90","","90","","90","","10640","5","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H200 Co4 Li N41 O75 P8 -","- C128 H120 Co4 Li N32 O23 P8 -","- C256 H240 Co8 Li2 N64 O46 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.2302","0.0876","","","0.2399","0.3234","","","","","","0.964","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236807","24.222","0.007","24.222","0.007","17.62","0.004","90","","90","","90","","10338","5","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H183 Li N41 Ni4 O66.5 P8 -","- C128 H120 Li N32 Ni4 O23 P8 -","- C256 H240 Li2 N64 Ni8 O46 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1889","0.0693","","","0.1823","0.2468","","","","","","0.996","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236808","24.651","0.003","24.651","0.003","17.773","0.002","90","","90","","90","","10800","2","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H208 Co4 N41 O79 P8 Rb -","- C128 H120 Co4 N32 O25 P8 Rb -","- C256 H240 Co8 N64 O50 P16 Rb2 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.0749","0.0503","","","0.1431","0.1623","","","","","","1.044","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236809","24.462","0.006","24.462","0.006","17.608","0.005","90","","90","","90","","10536","5","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H190 Cs N41 Ni4 O70 P8 -","- C128 H120 Cs N32 Ni4 O26.008 P8 -","- C256 H240 Cs2 N64 Ni8 O52.016 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.0952","0.0446","","","0.1121","0.1368","","","","","","1.032","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7239719","18.4916","0.0016","18.4916","0.0016","21.4412","0.0019","90","","90","","90","","7331.6","1.1","296","2","296.15","","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C48 H32 Gd12 N16 O64 -","- C48 H32 Gd12 N16 O64 -","- C96 H64 Gd24 N32 O128 -","2","0.125","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0564","0.0506","","","0.1429","0.1467","","","","","","1.038","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7248315","23.5398","0.0017","23.5398","0.0017","15.3506","0.0009","90","","90","","90","","8506.1","1","150","2","150","2","","","","","","","","4","I 4 2 2","I 4 2","97","R-Binol (R,R)-DADPE benzene solvate","(R)-(+)-1,1?-Bi(2-naphthol) ; (1R,2R)-N,N?-Dimethyl-1,2-diphenylethane-1,2-diamine benzene solvate","","- C50.27 H46.27 N2 O2 -","- C50.32 H46.32 N2 O2 -","- C402.56 H370.56 N16 O16 -","8","0.5","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Baillieux, Simon; Robeyns, Koen; Leyssens, Tom","Using the nature of the achiral solvent to orient chiral resolution","CrystEngComm","2024","26","15","2056","2059","10.1039/D4CE00124A","","","0.71073","MoKα","","0.1477","0.1165","","","0.2486","0.2667","","","","","","1.248","","","","has coordinates,has disorder","291599","2024-05-05","02:21:02",""
"7703729","34.9266","0.0013","34.9266","0.0013","25.815","0.002","90","","90","","90","","31491","3","172","2","172","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C432 H480 F0 Fe8 N72 O48 S0 -","- C432 H480 Fe8 N72 O48 -","- C864 H960 Fe16 N144 O96 -","2","0.125","","Lu, Hui-Shu; Han, Wang-Kang; Yan, Xiaodong; Xu, Ya-Xin; Zhang, Hai-Xia; Li, Tao; Gong, Yu; Hu, Qing-Tao; Gu, Zhi-Guo","Supramolecular assemblies based on Fe<sub>8</sub>L<sub>12</sub> cubic metal-organic cages: synergistic adsorption and spin-crossover properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4220","4224","10.1039/d0dt00353k","","","0.71073","MoKα","","0.209","0.0847","","","0.2043","0.2615","","","","","","1.186","","","","has coordinates,has disorder","251636","2020-10-21","18:00:00",""
"7703730","35.1488","0.0012","35.1488","0.0012","25.6895","0.0018","90","","90","","90","","31738","3","173","2","173","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C448 H504 F12 Fe8 N72 O60 S4 -","- C448 H504 F12 Fe8 N72 O60 S4 -","- C896 H1008 F24 Fe16 N144 O120 S8 -","2","0.125","","Lu, Hui-Shu; Han, Wang-Kang; Yan, Xiaodong; Xu, Ya-Xin; Zhang, Hai-Xia; Li, Tao; Gong, Yu; Hu, Qing-Tao; Gu, Zhi-Guo","Supramolecular assemblies based on Fe<sub>8</sub>L<sub>12</sub> cubic metal-organic cages: synergistic adsorption and spin-crossover properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4220","4224","10.1039/d0dt00353k","","","0.71073","MoKα","","0.2017","0.1143","","","0.2729","0.3492","","","","","","1.198","","","","has coordinates,has disorder","251636","2020-10-21","18:00:00",""
"7709831","23.067","0.003","23.067","0.003","17.923","0.003","90","","90","","90","","9537","2","423","2","423","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C10 H7 Cu2.74 K1.68 La0.51 O17.62 -","- C10 H7 Cu2.74125 K1.675 La0.50875 O17.6162 -","- C160 H112 Cu43.86 K26.8 La8.14 O281.86 -","16","1","","Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun","Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties","Dalton Transactions","2022","","","","","10.1039/D2DT00117A","","","0.71073","MoKα","","0.042","0.0394","","","0.1155","0.1189","","","","","","1.059","","","","has coordinates,has disorder","273952","2022-03-24","23:57:38",""
"7709832","23.212","0.003","23.212","0.003","18.09","0.003","90","","90","","90","","9747","2","423","2","423","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C40 H28 Ce2.02 Cu10.98 K6.7 O70.58 -","- C40 H28 Ce2.021 Cu10.979 K6.7 O70.579 -","- C160 H112 Ce8.084 Cu43.916 K26.8 O282.316 -","4","0.25","","Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun","Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties","Dalton Transactions","2022","","","","","10.1039/D2DT00117A","","","0.71073","MoKα","","0.0676","0.0581","","","0.1532","0.1624","","","","","","1.062","","","","has coordinates,has disorder","273952","2022-03-24","23:57:43",""
"7709833","23.119","0.009","23.119","0.009","17.971","0.008","90","","90","","90","","9605","7","423","2","423","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C20 H14 Cu5.48 K3.35 La1.02 O35.18 -","- C20 H14 Cu5.4795 K3.35 La1.0205 O35.1795 -","- C160 H112 Cu43.836 K26.8 La8.164 O281.436 -","8","0.5","","Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun","Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties","Dalton Transactions","2022","","","","","10.1039/D2DT00117A","","","0.71073","MoKα","","0.0488","0.0428","","","0.1229","0.1293","","","","","","1.069","","","","has coordinates,has disorder","273952","2022-03-24","23:57:49",""
"7711386","8.8814","0.0007","8.8814","0.0007","41.505","0.005","90","","90","","90","","3273.9","0.5","100","","100","","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C16 H45 Cl2.44 Eu Gd N4 O19 -","- C16 H45 Cl2.438 Eu Gd N4 O19 -","- C64 H180 Cl9.752 Eu4 Gd4 N16 O76 -","4","0.25","","Storm Thomsen, Maria; Parsons, Simon; Sørensen, Thomas Just","Invisible strings. The first single crystal of the cTSAP form of [Eu(DOTA)(H2O)]− has an electronic structure similar to one of the reported cSAP forms","Dalton Transactions","2022","","","","","10.1039/D2DT02633C","","","0.71073","MoKα","","0.034","0.0289","","","0.0738","0.0765","","","","","","1.067","","","","has coordinates,has disorder","278293","2022-09-30","22:56:55",""
"7711387","8.8351","0.0006","8.8351","0.0006","41.578","0.004","90","","90","","90","","3245.5","0.4","100","","100","","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C16 H44.8 Cl2.52 Eu0.96 N4 O19 Y -","- C16 H44.8 Cl2.52 Eu0.963 N4 O19 Y -","- C64 H179.2 Cl10.08 Eu3.852 N16 O76 Y4 -","4","0.25","","Storm Thomsen, Maria; Parsons, Simon; Sørensen, Thomas Just","Invisible strings. The first single crystal of the cTSAP form of [Eu(DOTA)(H2O)]− has an electronic structure similar to one of the reported cSAP forms","Dalton Transactions","2022","","","","","10.1039/D2DT02633C","","","0.71073","MoKα","","0.0269","0.0237","","","0.0542","0.0554","","","","","","1.088","","","","has coordinates,has disorder","278293","2022-09-30","22:56:55",""
"7715218","18.1592","0.0001","18.1592","0.0001","28.637","0.0001","90","","90","","90","","9443.24","0.08","100","2","100","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C156 H216 B8 N64 Ni4 O3 -","- C156 H216 B8 N64 Ni4 O3 -","- C312 H432 B16 N128 Ni8 O6 -","2","0.125","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0702","0.0695","","","0.1999","0.2008","","","","","","1.071","","","","has coordinates,has disorder","290978","2024-04-04","23:35:15",""
"7715542","9.5472","0.0003","9.5472","0.0003","16.7921","0.001","90","","90","","90","","1530.58","0.11","120","","120","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C29 H39 B2 Fe N7 O4 -","- C24 H22 B2 Fe N6 -","- C48 H44 B4 Fe2 N12 -","2","0.125","","Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7470","7476","10.1039/d4dt00204k","","","0.71073","MoKα","","0.0308","0.0289","","","0.0696","0.0703","","","","","","1.179","","","","has coordinates,has disorder","291604","2024-05-05","02:34:52",""
"7715543","9.5479","0.0005","9.5479","0.0005","16.7363","0.0019","90","","90","","90","","1525.7","0.2","120.15","","120.15","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C27.5 H29.5 Fe N6.5 O3.5 Se2 -","- C24 H16 Fe N6 Se2 -","- C48 H32 Fe2 N12 Se4 -","2","0.125","","Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7470","7476","10.1039/d4dt00204k","","","0.71073","MoKα","","0.0825","0.0685","","","0.1904","0.1996","","","","","","1.114","","","","has coordinates,has disorder","291604","2024-05-05","02:34:56",""
"7715544","9.5426","0.0001","9.5426","0.0001","16.2834","0.0007","90","","90","","90","","1482.79","0.07","120.15","","120.15","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C27.5 H29.5 Fe N6.5 O3.5 S2 -","- C24 H16 Fe N6 S2 -","- C48 H32 Fe2 N12 S4 -","2","0.125","","Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7470","7476","10.1039/d4dt00204k","","","0.71073","MoKα","","0.0683","0.0549","","","0.1329","0.1389","","","","","","1.015","","","","has coordinates,has disorder","291604","2024-05-05","02:34:56",""
"7715545","9.8102","0.0006","9.8102","0.0006","17.649","0.003","90","","90","","90","","1698.5","0.3","300.15","","300.15","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C29 H39 B2 Fe N7 O4 -","- C24 H22 B2 Fe N6 -","- C48 H44 B4 Fe2 N12 -","2","0.125","","Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7470","7476","10.1039/d4dt00204k","","","0.71073","MoKα","","0.0598","0.0549","","","0.1346","0.1369","","","","","","1.107","","","","has coordinates,has disorder","291604","2024-05-05","02:34:56",""
"7715546","9.8316","0.0004","9.8316","0.0004","17.3768","0.0018","90","","90","","90","","1679.6","0.2","250.15","","250.15","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C27.5 H29.5 Fe N6.5 O3.5 Se2 -","- C24 H16 Fe N6 Se2 -","- C48 H32 Fe2 N12 Se4 -","2","0.125","","Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7470","7476","10.1039/d4dt00204k","","","0.71073","MoKα","","0.0978","0.0829","","","0.2373","0.2493","","","","","","1.088","","","","has coordinates,has disorder","291604","2024-05-05","02:34:57",""
"7715547","9.8267","0.0012","9.8267","0.0012","16.767","0.004","90","","90","","90","","1619.1","0.5","250.15","","250.15","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C27.5 H29.5 Fe N6.5 O3.5 S2 -","- C24 H16 Fe N6 S2 -","- C48 H32 Fe2 N12 S4 -","2","0.125","","Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7470","7476","10.1039/d4dt00204k","","","0.71073","MoKα","","0.0515","0.0454","","","0.1196","0.121","","","","","","1.12","","","","has coordinates,has disorder","291604","2024-05-05","02:34:57",""
"9004161","7.483","","7.483","","14.893","","90","","90","","90","","833.938","","","","","","","","","","","","","7","I 4 2 2","I 4 2","97","","","Ekanite","- Ca1.92 Fe0.06 Mn0.02 O20 Si8 Th0.95 U0.05 -","- Ca1.92 Fe0.06 Mn0.02 O20 Si8 Th0.95 U0.05 -","- Ca3.84 Fe0.12 Mn0.04 O40 Si16 Th1.9 U0.1 -","2","0.125","","Szymanski, J. T.; Owens, D. R.; Roberts, A. C.; Ansell, H. G.; Chao, G. Y.","A mineralogical study and crystal-structure determination of nonmetamict ekanite, ThCa2Si8O20 Note: Changed O2-x coordinate to match reported bond lengths","The Canadian Mineralogist","1982","20","","65","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9009559","8.908","","8.908","","8.925","","90","","90","","90","","708.221","","","","1143.15","","","","","","","","","5","I 4 2 2","I 4 2","97","","","Tsaregorodtsevite","- C8 Al N O12 Si5 -","- C8 Al N O12 Si5 -","- C16 Al2 N2 O24 Si10 -","2","0.125","","Sokolova, E. V.; Rybakov, V. B.; Pautov, L. A.; Pushcharovsky D Yu","Structural changes in tsaregorodtsevite Note: T = 870 C","Doklady Akademii Nauk SSSR","1993","332","","309","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""