# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T14:00:03+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 31 2 1' 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
"1000295","7.421","0.003","7.421","0.003","18.166","0.006","90","","90","","120","","866.4","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Disodium manganese chromium fluoride","","- Cr F7 Mn Na2 -","- Cr F7 Mn Na2 -","- Cr6 F42 Mn6 Na12 -","6","1","","Courbion, G; Ferey, G; Holler, H; Babel, D","On trigonal weberites: structure refinement of Na~2~MnCrF~7~ and Na~2~MnGaF~7~","European Journal of Solid State Inorganic Chemistry","1988","25","","435","447","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000296","7.401","0.001","7.401","0.001","18.091","0.002","90","","90","","120","","858.2","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Disodium manganese gallium fluoride","","- F7 Ga Mn Na2 -","- F7 Ga Mn Na2 -","- F42 Ga6 Mn6 Na12 -","6","1","","Courbion, G; Ferey, G; Holler, H; Babel, D","On trigonal weberites: Structure refinement of Na~2~MnCrF~7~ and Na~2~MnGaF~7~","European Journal of Solid State Inorganic Chemistry","1988","25","","435","447","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009000","4.994","0.0001","4.994","0.0001","11.3871","0.0004","90","","90","","120","","245.9","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1009001","4.9942","0.0001","4.9942","0.0001","11.3816","0.0013","90","","90","","120","","245.8","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009002","4.997","0.001","4.997","0.001","11.379","0.003","90","","90","","120","","246.1","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009003","5.007","0.001","5.007","0.001","11.391","0.003","90","","90","","120","","247.3","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009004","5.011","0.001","5.011","0.001","11.388","0.003","90","","90","","120","","247.6","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009005","5.017","0.001","5.017","0.001","11.401","0.003","90","","90","","120","","248.5","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009006","5.025","0.001","5.025","0.001","11.408","0.003","90","","90","","120","","249.5","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009007","5.033","0.001","5.033","0.001","11.411","0.003","90","","90","","120","","250.3","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009008","5.04","0.001","5.04","0.001","11.408","0.003","90","","90","","120","","251","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009009","5.051","0.001","5.051","0.001","11.421","0.003","90","","90","","120","","252.3","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009010","5.059","0.001","5.059","0.001","11.424","0.003","90","","90","","120","","253.2","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011097","4.913","","4.913","","5.404","","90","","90","","120","","113","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Silicon oxide $-alpha","Quartz low","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Wei, P. H.","Die Bindung im Quarz","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","355","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","132161","2020-10-21","18:00:00",""
"1011098","4.454","","4.454","","5.924","","90","","90","","120","","101.8","","","","","","","","","","","","synthetic","1","P 31 2 1","P 31 2""","152","Tellurium","Tellurium","Tellurium","- Te -","- Te -","- Te3 -","3","0.5","","Bradley, A J","The crystal structure of tellurium","Philosophical Magazine, Serie 6 (1901-1925)","1924","48","","477","496","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1011172","4.913","","4.913","","5.405","","90","","90","","120","","113","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Silicon oxide $-alpha","Quartz low","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Brill, R; Hermann, C; Peters, C","Studien ueber chemische Bindung mittels Fourieranalyse III. Die Bindung im Quarz","Naturwissenschaften","1939","27","","676","677","10.1007/BF01494994","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011369","4.16","","4.16","","9.54","","90","","90","","120","","143","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Mercury sulfide","Cinnabar","- Hg S -","- Hg S -","- Hg3 S3 -","3","0.5","","Buckley, H E; Vernon, W S","The cyrstal-structures of the sulphides of mercury.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1925","20","","382","392","10.1180/minmag.1925.020.110.02","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100429","9.951","0.001","9.951","0.001","23.091","0.001","90","","90","","120","","1980.19","","","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H28 N2 O4 S2 -","- C56 H56 N4 O8 S4 -","- C168 H168 N12 O24 S12 -","3","0.5","","Bolm, Carsten; Bienewald, Frank; Harms, Klaus","Syntheses and Vanadium Complex of Salen-like Bissulfoximines","Synlett","1996","1996","8","775","776","10.1055/s-1996-5512","","","","","","","","","","","","","","","","","","","","","has coordinates","178091","2020-10-21","18:00:00",""
"1502854","11.8548","0.0002","11.8548","0.0002","31.3077","0.0006","90","","90","","120","","3810.4","0.12","123.1","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25 H34 N2 O5 S -","- C25 H34 N2 O5 S -","- C150 H204 N12 O30 S6 -","6","1","","Hashimoto, Takuya; Nakatsu, Hiroki; Watanabe, Shogo; Maruoka, Keiji","Stereoselective synthesis of trisubstituted aziridines with N-alpha-diazoacyl camphorsultam.","Organic letters","2010","12","8","1668","1671","10.1021/ol100104v","","","1.54187","CuKα","","","0.0322","","","","0.0817","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502978","10.4772","0.0017","10.4772","0.0017","19.925","0.004","90","","90","","120","","1894.2","0.6","100","2","100","2","","","","","","","","2","P 31 2 1","P 31 2""","152","","","","- C18 H6 -","- C18 H6 -","- C108 H36 -","6","1","","Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves","Nanochannel array within a multilayered network of a planarized dehydro[24]annulene.","Organic letters","2010","12","10","2346","2349","10.1021/ol1006967","","","0.71073","MoKα","","0.0605","0.0392","","","0.1191","0.1284","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503030","13.4028","0.0002","13.4028","0.0002","41.9587","0.0014","90","","90","","120","","6527.5","0.3","150","2","150","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C41 H55 N4 O11.5 -","- C41 H50 N4 O9 -","- C246 H300 N24 O54 -","6","1","","Fairweather, Kelly A.; Sayyadi, Nima; Luck, Ian J.; Clegg, Jack K.; Jolliffe, Katrina A.","Synthesis of all-L cyclic tetrapeptides using pseudoprolines as removable turn inducers.","Organic letters","2010","12","14","3136","3139","10.1021/ol101018w","","","0.71073","MoKα","","0.0641","0.0536","","","0.1462","0.1523","","","","","","1.084","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1503278","10.477","0.0016","10.477","0.0016","15.328","0.003","90","","90","","120","","1457.1","0.4","200.1","","200.1","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C9.5 H14 N3 -","- C9.5 H9.5 N3 -","- C57 H57 N18 -","6","1","","Suzuki, Shuichi; Fukui, Kozo; Fuyuhiro, Akira; Sato, Kazunobu; Takui, Takeji; Nakasuji, Kazuhiro; Morita, Yasushi","Hexaazaphenalene derivatives: one-pot synthesis, hydrogen-bonded chiral helix, and fluorescence properties.","Organic letters","2010","12","21","5036","5039","10.1021/ol102200v","","","0.71075","MoKα","","","0.0671","","","","0.2081","","","","","","1.126","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505643","7.7456","0.0005","7.7456","0.0005","34.484","0.003","90","","90","","120","","1791.7","0.2","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C11 H12 F2 N2 O3 -","- C11 H12 F2 N2 O3 -","- C66 H72 F12 N12 O18 -","6","1","","Yang, Yan-Yan; Xu, Jun; You, Zheng-Wei; Xu, Xiu-Hua; Qiu, Xiao-Long; Qing, Feng-Ling","Synthesis of 3',3'-difluoro-2'- hydroxymethyl-4',5'-unsaturated carbocyclic nucleosides.","Organic letters","2007","9","26","5437","5440","10.1021/ol7023955","","","0.71073","MoKα","","0.0533","0.0504","","","0.1346","0.1373","","","","","","1.102","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505727","4.892","0.005","4.892","0.005","11.002","0.012","90","","90","","120","","228","0.4","200","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- B F4 Li -","- B F4 Li -","- B3 F12 Li3 -","3","0.5","","Matsumoto, Kazuhiko; Hagiwara, Rika; Mazej, Zoran; Goreshnik, Evgeny; Zemva, Boris","Anomalously large formula unit volume and its effect on the thermal behavior of LiBF4.","The journal of physical chemistry. B","2006","110","5","2138","2141","10.1021/jp0564795","","","0.71069","MoKα","","0.0413","0.0384","","","0.0882","0.0934","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509885","12.5919","","12.5919","","15.4978","","90","","90","","120","","2128.06","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Ag4 (Mn3 O8)","","- Ag4 Mn3 O8 -","- Ag4 Mn3 O8 -","- Ag48 Mn36 O96 -","12","2","","Friese, K.; Jansen, M.; Ahlert, S.","The structure of twinned Ag4 Mn3 O8, a novel octahedral framework with a topology related to the archetype cubic (10,3) net","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1525","1531","10.1002/1521-3749(200207)628:7<1525::AID-ZAAC1525>3.0.CO;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510796","4.3358","","4.3358","","8.3397","","90","","90","","120","","135.775","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","","","- B2 O3 -","- B2 O3 -","- B6 O9 -","3","0.5","","Lengauer, C.L.; Parthe, E.; Effenberger, H.","Trigonal B2 O3 with higher space-group symmetry: results of a reevaluation","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2001","132","","1515","1517","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511259","6.8035","","6.8035","","6.6487","","90","","90","","120","","266.521","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Nd (B Si O5)","","- B Nd O5 Si -","- B Nd O5 Si -","- B3 Nd3 O15 Si3 -","3","0.5","","Shi, Y.; Liang, J.-K.; Yang, J.-L.; Zhuang, W.D.; Rao, G.-H.; Zhang, H.","Crystal structure and vibrational spectra studies of stillwellite compounds Nd B Si O5","Journal of Alloys Compd.","1997","259","","163","169","10.1016/S0925-8388(97)00100-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511289","6.851","","6.851","","6.821","","90","","90","","120","","277.26","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Pb (B P O5)","","- B O5 P Pb -","- B O5 P Pb -","- B3 O15 P3 Pb3 -","3","0.5","","Taibi, M.; Aschehoug, P.; Ben Ali, A.; Boukhari, A.; Aride, J.; Antic-Fidancev, E.; Viana, B.","Crystal structure of A B P O5 and optical study of Pr(3+) embedded in these compounds","Journal of Physics: Condensed Matter","2001","13","","9663","9671","10.1088/0953-8984/13/42/323","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511291","6.8488","","6.8488","","6.8159","","90","","90","","120","","276.874","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Sr (B P O5)","","- B O5 P Sr -","- B O5 P Sr -","- B3 O15 P3 Sr3 -","3","0.5","","Kniep, R.; Asbrand, M.; Kizilyalli, M.; Roehr, C.; Goezel, G.; Eisenmann, B.","Borophosphates - a neglected class of compounds: the crystal structures of M(II) (B P O5) (M(II) = Ca, Sr) and Ba3 (B P3 O12)","Angewandte Chemie (German Edition)","1994","106","","791","793","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511396","6.839","","6.839","","6.782","","90","","90","","120","","274.709","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","La (B0.95 Si O4.93)","","- B0.95 La O4.93 Si -","- B0.95 La O4.93 Si -","- B2.85 La3 O14.79 Si3 -","3","0.5","","Kajitani, T.; Takayama, K.; Ono, Y.","X-ray diffraction study of La B Si O5","Journal of the Physical Society of Japan","1996","65","","3224","3228","10.1143/JPSJ.65.3224","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511442","7.1094","","7.1094","","6.9895","","90","","90","","120","","305.944","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Ba (B P O5)","","- B Ba O5 P -","- B Ba O5 P -","- B3 Ba3 O15 P3 -","3","0.5","","Rao, G.; Chen, X.; Yang, J.; Zhuang, W.; Zhang, H.; Liu, Q.; Liang, J.; Shi, Y.","Crystal structure and thermal decomposition studies of barium borophosphate, Ba B P O5","Journal of Solid State Chemistry","1998","135","","43","51","10.1006/jssc.1997.7588","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511466","6.6799","","6.6799","","6.6121","","90","","90","","120","","255.511","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Ca (B P O5)","","- B Ca O5 P -","- B Ca O5 P -","- B3 Ca3 O15 P3 -","3","0.5","","Goezel, G.; Kniep, R.; Asbrand, M.; Eisenmann, B.; Roehr, C.; Kizilyalli, M.","Borophosphates - a neglected class of compounds: the crystal structures of M(II) (B P O5) (M(II) = Ca, Sr) and Ba3 (B P3 O12)","Angewandte Chemie (German Edition)","1994","106","","791","793","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514626","12.0374","0.0017","12.0374","0.0017","44.799","0.009","90","","90","","120","","5621.7","1.6","123","2","123","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C83 H116 Mg2 N6 O -","- C83 H116 Mg2 N6 O -","- C249 H348 Mg6 N18 O3 -","3","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0457","0.0389","","","0.0868","0.09","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514845","20.411","0.003","20.411","0.003","40.34","0.005","90","","90","","120","","14554","4","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C76 H162 Cu6 N12 O88.66 V30 -","- C76 Cu6 N12 O88.5 V30 -","- C228 Cu18 N36 O265.5 V90 -","3","0.5","","Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten","Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters","Chemical Science","2013","4","1","418","","10.1039/c2sc20942j","","","0.71073","MoKα","","0.0618","0.0479","","","0.1169","0.1222","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516128","18.945","0.009","18.945","0.009","25.39","0.013","90","","90","","120","","7892","7","123","2","123","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C92 H126 Cl3 Cr2 Li N2 O5 -","- C78 H108 Cl3 Cr2 Li N2 O5 -","- C234 H324 Cl9 Cr6 Li3 N6 O15 -","3","0.5","","Chen, Hua; Dawe, Louise N.; Kozak, Christopher M.","Chromium(iii) amine-bis(phenolate) complexes as catalysts for copolymerization of cyclohexene oxide and CO2","Catalysis Science & Technology","2014","4","6","1547","","10.1039/c3cy01002c","","","0.71075","MoKα","","0.1351","0.1211","","","0.3154","0.3327","","","","","","1.187","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518030","5.022","0.001","5.022","0.001","11.215","0.004","90","","90","","120","","244.95","0.11","","","173","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Al As O4 -","- Al As O4 -","- Al3 As3 O12 -","3","0.5","","Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne","Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha","Revue de Chimie Minerale","1983","20","","338","350","","","x-ray","0.71069","MoKα","","","0.012","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518031","5.027","0.001","5.027","0.001","11.213","0.003","90","","90","","120","","245.4","0.1","","","293","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Al As O4 -","- Al As O4 -","- Al3 As3 O12 -","3","0.5","","Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne","Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha","Revue de Chimie Minerale","1983","20","","338","350","","","x-ray","0.71069","MoKα","","","0.011","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518032","4.986","0.003","4.986","0.003","11.375","0.007","90","","90","","120","","244.9","0.3","","","173","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne","Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha","Revue de Chimie Minerale","1983","20","","338","350","","","x-ray","0.71069","MoKα","","","0.018","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518033","4.993","0.001","4.993","0.001","11.366","0.002","90","","90","","120","","245.39","0.08","","","293","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne","Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha","Revue de Chimie Minerale","1983","20","","338","350","","","x-ray","0.71069","MoKα","","","0.018","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518034","4.874","0.002","4.872","0.002","11.032","0.004","90","","90","","120","","226.87","0.16","","","173","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Ga O4 P -","- Ga O4 P -","- Ga3 O12 P3 -","3","0.5","","Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne","Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha","Revue de Chimie Minerale","1983","20","","338","350","","","x-ray","0.71069","MoKα","","","0.022","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518035","4.899","0.001","4.899","0.001","11.034","0.002","90","","90","","120","","229.34","0.08","","","293","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Ga O4 P -","- Ga O4 P -","- Ga3 O12 P3 -","3","0.5","","Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne","Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha","Revue de Chimie Minerale","1983","20","","338","350","","","x-ray","0.71069","MoKα","","","0.019","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518114","5.021","0.002","5.021","0.002","11.229","0.004","90","","90","","120","","245.16","0.16","","","173","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Fe O4 P -","- Fe O4 P -","- Fe3 O12 P3 -","3","0.5","","Goiffon, Aline; Jumas, Jean-Claude; Philippot, Etienne","Phases de type quartz alpha ; structure de FePO4 et spectrometrie Mossbauer du fer-57","Revue de Chimie Minerale","1986","23","","99","110","","","x-ray","0.71069","MoKα","","","0.032","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518115","5.027","0.002","5.027","0.002","11.234","0.004","90","","90","","120","","245.86","0.16","","","293","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Fe O4 P -","- Fe O4 P -","- Fe3 O12 P3 -","3","0.5","","Goiffon, Aline; Jumas, Jean-Claude; Philippot, Etienne","Phases de type quartz alpha ; structure de FePO4 et spectrometrie Mossbauer du fer-57","Revue de Chimie Minerale","1986","23","","99","110","","","x-ray","0.71069","MoKα","","","0.028","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519406","11.541","0.0007","11.541","0.0007","52.812","0.005","90","","90","","120","","6091.9","0.8","293","2","293","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C35 H38 B F4 N3 O Si -","- C35 H38 B F4 N3 O Si -","- C210 H228 B6 F24 N18 O6 Si6 -","6","1","","Li, Guo-Tai; Gu, Qing; You, Shu-Li","Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine","Chem. Sci.","2015","6","7","4273","","10.1039/C5SC00731C","","","0.71073","MoKα","","0.0688","0.0499","","","0.1267","0.1341","","","","","","1.003","","","","has coordinates","143335","2020-10-21","18:00:00",""
"1522908","3.71","","3.71","","18.03","","90","","90","","120","","214.919","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","(La0.8 Th0.2)","","- La0.8 Th0.2 -","- La0.8 Th0.2 -","- La4.8 Th1.2 -","6","1","","Sikka, S.K.; Godwal, B.K.; Vijayakumar, V.","Distorted fcc high-pressure phase of rare earths in La.8 Th.2 alloy at ambient conditions - thcp versus modulated hexagonal structure","Physics Letters A","1985","108","","83","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","143201","2020-10-21","18:00:00",""
"1526860","4.9019","","4.9019","","5.3988","","90","","90","","120","","112.346","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Tucker, M.G.; Dove, M.T.; Keen, D.A.","A detailed structural characterization of quartz on heating through the alpha - beta transition","Mineralogical Magazine (1969-)","2001","65","","489","507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527732","7.0134","","7.0134","","12.92","","90","","90","","120","","550.364","","","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","Ce Na (S O4)2 (H2 O)","","- Ce H2 Na O9 S2 -","- Ce Na O9 S2 -","- Ce3 Na3 O27 S6 -","3","0.5","","Lindgren, O.","The crystal structure of sodium cerium(III) sulfate hydrate, Na Ce (S O4)2 (H2 O)","Acta Chemica Scandinavica, Series A: (28,1974-)","1977","31","","591","594","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528952","7.488","","7.488","","18.257","","90","","90","","120","","886.526","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Na2 Mn Fe F7","","- F7 Fe Mn Na2 -","- F7 Fe Mn Na2 -","- F42 Fe6 Mn6 Na12 -","6","1","","Verscharen, W.; Babel, D.","Roentgen- und Neutronen-Strukturbestimmung des Na2 Mn Fe F7-Typs: eine trigonale Weberit-Variante","Journal of Solid State Chemistry","1978","24","","405","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528953","7.492","","7.492","","18.261","","90","","90","","120","","887.668","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Na2 Mn V F7","","- F7 Mn Na2 V -","- F7 Mn Na2 V -","- F42 Mn6 Na12 V6 -","6","1","","Verscharen, W.; Babel, D.","Roentgen- und Neutronen-Strukturbestimmung des Na2 Mn Fe F7-Typs: eine trigonale Weberit-Variante","Journal of Solid State Chemistry","1978","24","","405","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530002","4.927","","4.927","","10.918","","90","","90","","120","","229.53","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Al P O4","","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Goiffon, A.; Maurin, M.; Jumas, J.C.; Philippot, E.","Etude comparee a diverses temperatures (173, 293 et 373 K) des structures de type quartz alpha des phases M(III) X(V) O4 (M(III) = Al, Ga et X(V) = P, As)","Journal of Solid State Chemistry","1986","61","","384","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530731","7.191","","7.191","","17.398","","90","","90","","120","","779.128","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Mn2 (Sb2 O7)","","- Mn2 O7 Sb2 -","- Mn2 O7 Sb2 -","- Mn12 O42 Sb12 -","6","1","","Scott, H.G.","Synthesis and crystal structures of the manganous antimonates Mn2 Sb2 O7 and Mn Sb2 O6","Journal of Solid State Chemistry","1987","66","","171","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","155930","2020-10-21","18:00:00",""
"1531230","4.458","","4.458","","5.925","","90","","90","","120","","101.976","","","","","","","","","","","","","1","P 31 2 1","P 31 2""","152","","","","- Te -","- Te -","- Te3 -","3","0.5","","Bouad, N.; Chapon, L.; Marin-Ayral, R.M.; Bouree-Vigneron, F.; Tedenac, J.C.","Neutron powder diffraction study of strain and crystallite size in mechanically alloyed Pb Te","Journal of Solid State Chemistry","2003","173","","189","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531574","12.8","","12.8","","8.3","","90","","90","","120","","1177.68","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","K3 (Tc2 Cl8) (H2 O)2","","- Cl8 K3 Tc2 -","- Cl8 K3 Tc2 -","- Cl24 K9 Tc6 -","3","0.5","","Koz'min, P.A.; Novitskaya, G.N.","X-ray diffraction study of K3 (Tc2 Cl8) (H2 O)2 and Cs3 (Tc2 Cl8) (H2 O)2","Zhurnal Neorganicheskoi Khimii","1972","17","","3138","3139","","","","","","","","","","","","","","","","","","","","","","has coordinates","157070","2020-10-21","18:00:00",""
"1531951","4.94291","","4.94291","","10.94761","","90","","90","","120","","231.641","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Al P O4","","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Ng, H.N.; Calvo, C.","X-ray study of the alpha-beta transformation of Berlinite Al P O4","Canadian Journal of Physics","1976","54","","638","647","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532070","7.653","","7.653","","14.665","","90","","90","","120","","743.834","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Ni12.54 Al0.9 Si8.1","","- Al0.9 Ni12.54 Si8.1 -","- Al0.9 Ni12.54 Si8.1 -","- Al2.7 Ni37.62 Si24.3 -","3","0.5","","Richter, K.W.","Crystal structure and phase relations of Ni13+x Aly Si9-y","Journal of Alloys Compd.","2002","338","","43","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","157689","2020-10-21","18:00:00",""
"1532673","7.3895","","7.3895","","6.8121","","90","","90","","120","","322.138","","","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","Tl1.5 (Sr0.5 La0.5)3 (As O4)3","","- As3 La1.5 O12 Sr1.5 Tl1.5 -","- As3 La1.5 O12 Sr1.5 Tl1.5 -","- As3 La1.5 O12 Sr1.5 Tl1.5 -","1","0.166667","","Lafjij, M.; El Jouhari, N.; Wallez, G.; Benabad, A.; le Flem, G.; Gravereau, P.; Garcia, A.","Structural study and luminescence of Tl Sr La (As O4)2","Materials Research Bulletin","2003","38","","1755","1765","","","","","","","","","","","","","","","","","","","","","","has coordinates","158628","2020-10-21","18:00:00",""
"1532906","5.039","","5.039","","11.412","","90","","90","","120","","250.946","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Fe (P O4)","","- Fe O4 P -","- Fe O4 P -","- Fe3 O12 P3 -","3","0.5","","Mittal, R.; Loong, C.-K.; Kolesnikov, A.I.; Chaplot, S.L.; Kulshreshtha, S.K.; Jayakumar, O.D.","Inelastic neutron scattering, lattice dynamics and synchrotron X-ray diffraction study of Fe P O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","174304-1","174304-7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533353","7.3872","","7.3872","","17.1351","","90","","90","","120","","809.799","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Dy1.78 ((Mn0.89 Ta1.11) O6.82)","","- Dy1.78 Mn0.89 O6.82 Ta1.11 -","- Dy1.778 Mn0.89 O6.825 Ta1.11 -","- Dy10.668 Mn5.34 O40.95 Ta6.66 -","6","1","","Chen, G.; Takenoshita, H.; Satoh, H.; Kamegashira, N.; Miyamoto, M.","Structural analysis of complex oxides Ln2 Mn Ta1+x O7+d (Ln = rare earth and yttrium) with pyrochlore-related structures","Journal of Alloys Compd.","2004","374","","177","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","159500","2020-10-21","18:00:00",""
"1534002","4.128","","4.128","","9.526","","90","","90","","120","","140.579","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Hg (Se0.7 S0.3)","","- Hg S0.3 Se0.7 -","- Hg S0.3 Se0.7 -","- Hg3 S0.9 Se2.1 -","3","0.5","","Kozlenko, D.P.; Glazkov, V.P.; Hull, S.; Savenko, B.N.; Shchennikov, V.V.; Voronin, V.I.","Structural study of ternary mercury chalcogenides at high pressures","Appl. Phys. A","2002","74","","S983","S985","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534008","4.415","","4.415","","9.927","","90","","90","","120","","167.575","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Hg (Te0.85 S0.15)","","- Hg S0.15 Te0.85 -","- Hg S0.15 Te0.85 -","- Hg3 S0.45 Te2.55 -","3","0.5","","Kozlenko, D.P.; Glazkov, V.P.; Hull, S.; Savenko, B.N.; Shchennikov, V.V.; Voronin, V.I.","Structural study of ternary mercury chalcogenides at high pressures","Appl. Phys. A","2002","74","","S983","S985","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534711","4.3","","4.3","","4.89","","90","","90","","120","","78.303","","","","","","","","","","","","","1","P 31 2 1","P 31 2""","152","","","","- Se -","- Se -","- Se3 -","3","0.5","","Avilov, A.S.; Imamov, R.M.","The structure of selenium","Kristallografiya","1969","14","","330","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535361","3.057","","3.057","","14.895","","90","","90","","120","","120.549","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Ti C0.51 N0.12","","- C0.51 N0.12 Ti -","- C0.515 N0.12 Ti -","- C3.09 N0.72 Ti6 -","6","1","","Tashmetov, M.Yu.; Em, V.T.; Mukhtarova, N.N.","Trigonal ordered structure in titanium carbonitride","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1996","32","","171","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536737","7.7844","","7.7844","","14.309","","90","","90","","120","","750.914","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Rb Ba2 As5","","- As5 Ba2 Rb -","- As5 Ba2 Rb -","- As15 Ba6 Rb3 -","3","0.5","","Emmerling, F.; Petri, D.; Roehr, C.","Neue Arsenide mit As(-)Ketten und -Ringen: Ba As2 und A(I) Ba2 As5 (A(I) = K, Rb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2490","2501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537223","4.688","","4.688","","5.185","","90","","90","","120","","98.686","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","","","- Be F2 -","- Be F2 -","- Be3 F6 -","3","0.5","","Lacks, D.J.; Gordon, R.G.","Crystal-structure calculations with distorted ions","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","2889","2908","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537224","5.291","","5.291","","6.133","","90","","90","","120","","148.689","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Ti O2","","- O2 Ti -","- O2 Ti -","- O6 Ti3 -","3","0.5","","Lacks, D.J.; Gordon, R.G.","Crystal-structure calculations with distorted ions","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","2889","2908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540010","5.886","","5.886","","6.734","","90","","90","","120","","202.043","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Ba Zn O2","","- Ba O2 Zn -","- Ba O2 Zn -","- Ba3 O6 Zn3 -","3","0.5","","von Schnering, H.G.; Hoppe, R.; Zemann, J.","Die Kristallstruktur des Ba Zn O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1960","305","","241","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540227","3.06","","3.06","","14.91","","90","","90","","120","","120.907","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Ti6 C3.75","","- C3.75 Ti6 -","- C3.75 Ti6 -","- C3.75 Ti6 -","1","0.166667","","Khaenko, B.V.; Kukol', V.V.","Real order structure of titanium carbide","Kristallografiya","1989","34","","1513","1517","","","","","","","","","","","","","","","","","","","","","","has coordinates","169464","2020-10-21","18:00:00",""
"1542919","7.104645","0.000063","7.104645","0.000063","6.986941","0.000072","90","","90","","120","","305.424","0.005","300","","300","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B3 Ba2.76 Eu0.24 O15 P3 -","- B3 Ba2.76 Eu0.24 O15 P3 -","- B3 Ba2.76 Eu0.24 O15 P3 -","1","0.166667","","Lina Zhang; Minghao Fang; Zhaohui Huang; Yangai Liu; Xin Min; Hao Tang; Kai Chen; Ming Guan; Maxim S. Molokeev","Preparation and Luminescence Properties of the Blue-Emitting Phosphor BaBPO5:Eu2+","Science of Advanced Materials","2016","8","5","1086","1092","10.1166/sam.2016.2704","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.62","1.593","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1548032","9.6767","0.0014","9.6767","0.0014","20.172","0.003","90","","90","","120","","1635.8","0.4","195","2","195","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C5 H7 N8 O0.5 Zn -","- C5 H7 N8 O0.5 Zn -","- C30 H42 N48 O3 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.041","0.0369","","","0.095","0.0994","","","","","","1.051","","","","has coordinates","203157","2020-10-21","18:00:00",""
"1548033","9.6963","0.0015","9.6963","0.0015","20.126","0.003","90","","90","","120","","1638.7","0.4","195","2","195","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C5 H6 N8 Zn -","- C5 H6 N8 Zn -","- C30 H36 N48 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.019","0.0186","","","0.0489","0.0491","","","","","","1.003","","","","has coordinates","203158","2020-10-21","18:00:00",""
"1548034","9.663","0.003","9.663","0.003","20.224","0.005","90","","90","","120","","1635.4","0.8","195","2","195","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C5.7 H8.09 N8 Zn -","- C5.698 H8.094 N8 Zn -","- C34.188 H48.564 N48 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.0546","0.0448","","","0.1117","0.1203","","","","","","1.008","","","","has coordinates,has disorder","203159","2020-10-21","18:00:00",""
"1548035","9.6896","0.0016","9.6896","0.0016","20.153","0.004","90","","90","","120","","1638.6","0.5","195","2","195","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C5.78 H7.56 N8 Zn -","- C5.78 H7.56 N8 Zn -","- C34.68 H45.36 N48 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.0343","0.0337","","","0.1023","0.1028","","","","","","1.059","","","","has coordinates","203160","2020-10-21","18:00:00",""
"1548036","9.7682","0.0015","9.7682","0.0015","20.1","0.004","90","","90","","120","","1660.9","0.5","195","2","195","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C5.13 H6 N8 O0.27 Zn -","- C5.1355 H6 N8 O0.271 Zn -","- C30.813 H36 N48 O1.626 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.0432","0.0422","","","0.1304","0.1313","","","","","","1.052","","","","has coordinates","203161","2020-10-21","18:00:00",""
"1549270","12.0961","0.0004","12.0961","0.0004","30.6664","0.0011","90","","90","","120","","3885.8","0.2","130.01","0.1","130.01","0.1","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C32 H33 N O3 -","- C32 H33 N O3 -","- C192 H198 N6 O18 -","6","1","","Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations.","Chemical science","2018","9","20","4644","4649","10.1039/c8sc00031j","","x-ray","0.71073","MoKα","","0.0879","0.0546","","","0.1232","0.1439","","","","","","1.033","","","","has coordinates","228761","2020-10-21","18:00:00",""
"1552956","8.7445","0.0016","8.7445","0.0016","10.935","0.002","90","","90","","120","","724.1","0.2","150","2","150","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Iron gallate hydrate","Iron gallate tri-hydrate","","- C7 H9.37 Fe O8.18 -","- C7 H3 Fe O8.173 -","- C21 H9 Fe3 O24.519 -","3","0.5","","Ponce, Aldo; Brostoff, Lynn B.; Gibbons, Sarah K.; Zavalij, Peter; Viragh, Carol; Hooper, Joseph; Alnemrat, Sufian; Gaskell, Karen J.; Eichhorn, Bryan","Elucidation of the Fe(III) Gallate Structure in Historical Iron Gall Ink.","Analytical chemistry","2016","88","10","5152","5158","10.1021/acs.analchem.6b00088","","","0.71073","MoKα","","0.043","0.0341","","","0.0587","0.0621","","","","","","1","","","","has coordinates,has disorder","231207","2020-10-21","18:00:00",""
"1553400","11.6878","0.0003","11.6878","0.0003","29.8747","0.0008","90","","90","","120","","3534.27","0.16","296","2","296","2","","","","","","","","3","P 31 2 1","P 31 2""","152","(-) Mangostafeejin A","","","- C25 H28 O9 -","- C25 H28 O9 -","- C150 H168 O54 -","6","1","","Arunrattiyakorn, Panarat; Kuno, Mayuso; Aree, Thammarat; Laphookhieo, Surat; Sriyatep, Teerayut; Kanzaki, Hiroshi; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Andersen, Raymond J.","Biotransformation of β-Mangostin by an Endophytic Fungus of Garcinia mangostana to Furnish Xanthenes with an Unprecedented Heterocyclic Skeleton.","Journal of natural products","2018","81","10","2244","2250","10.1021/acs.jnatprod.8b00519","","","1.54178","CuKα","","0.0533","0.0389","","","0.1061","0.1152","","","","","","1.03","","","","has coordinates,has disorder","234235","2020-10-21","18:00:00",""
"1554047","11.5313","0.0007","11.5313","0.0007","27.9387","0.0018","90","","90","","120","","3217.3","0.3","100","","100","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C48 H42 O6 -","- C48 H42 O6 -","- C144 H126 O18 -","3","0.5","","Pitrat, Delphine; Daugey, Nicolas; Jean, Marion; Vanthuyne, Nicolas; Wien, Frank; Ducasse, Laurent; Calin, Nathalie; Buffeteau, Thierry; Brotin, Thierry","Unusual Chiroptical Properties of the Cryptophane-222 Skeleton.","The journal of physical chemistry. B","2016","120","49","12650","12659","10.1021/acs.jpcb.6b09771","","","1.54184","CuKα","","0.0504","0.0472","","","0.1187","0.1222","","","","","","1.084","","","","has coordinates,has disorder","236491","2020-10-21","18:00:00",""
"1555274","16.5141","0.0006","16.5141","0.0006","9.7096","0.0004","90","","90","","120","","2293.2","0.15","100","","100","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C9 H10 O8 -","- C9 H6 O8 -","- C54 H36 O48 -","6","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.074","0.0638","","","0.2062","0.2217","","","","","","1.062","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1557058","13.824","0.003","13.824","0.003","40.089","0.008","90","","90","","120","","6635","2","100","2","100","2","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C36.5 H57 B Cl F4 N4 P4 Rh -","- C36.5 H57 B Cl F4 N4 P4 Rh -","- C219 H342 B6 Cl6 F24 N24 P24 Rh6 -","6","1","","Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril","Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates","Catalysis Science & Technology","2020","10","3","630","634","10.1039/C9CY01797F","","","0.71073","MoKα","","0.0709","0.0567","","","0.14","0.1458","","","","","","1.156","","","","has coordinates,has disorder","257223","2020-10-21","18:00:00",""
"1558667","20.704","0.002","20.704","0.002","13.5643","0.0016","90","","90","","120","","5035.4","0.9","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24.38 H28.5 F1.5 N3 O5.62 -","- C24.375 H28.5 F1.5 N3 O5.54625 -","- C195 H228 F12 N24 O44.37 -","8","1.33333","","Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00244","","","0.71073","MoKα","","0.0429","0.0414","","","0.1221","0.1245","","","","","","1.021","","","","has coordinates,has disorder","254630","2020-10-21","18:00:00",""
"1558669","20.7","0.003","20.7","0.003","13.6652","0.0017","90","","90","","120","","5070.9","1.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24.75 H29.25 F1.5 N3 O5.62 -","- C24.75 H29.25 F1.5 N3 O5.61825 -","- C198 H234 F12 N24 O44.946 -","8","1.33333","","Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00244","","","0.71073","MoKα","","0.1344","0.0585","","","0.0593","0.0691","","","","","","1.072","","","","has coordinates,has disorder","254632","2020-10-21","18:00:00",""
"1559676","13.7702","0.0003","13.7702","0.0003","13.2048","0.0003","90","","90","","120","","2168.42","0.08","195","","195","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","0.71073","MoKα","","0.0946","0.0629","","","0.1522","0.1714","","","","","","1.047","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559677","13.9775","0.0009","13.9775","0.0009","13.0994","0.0005","90","","90","","120","","2216.4","0.2","298","","298","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","x-ray","0.6889","synchrotron","","0.1196","0.0661","","","0.1688","0.2159","","","","","","1.031","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559679","14.9689","0.0004","14.9689","0.0004","12.6934","0.0004","90","","90","","120","","2463.14","0.12","170","","170","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81-DMF","","","- C16 H6 Cd N2 O12 -","- C16 H6 Cd N2 O12 -","- C48 H18 Cd3 N6 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","1.54178","CuKα","","0.0413","0.0338","","","0.1004","0.1096","","","","","","1.062","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559681","14.0982","0.001","14.0982","0.001","13.0538","0.0006","90","","90","","120","","2247","0.2","298","","298","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","x-ray","0.6889","synchrotron","","0.1373","0.0748","","","0.1914","0.2451","","","","","","1.031","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559682","13.6191","0.0013","13.6191","0.0013","13.2288","0.0013","90","","90","","120","","2124.9","0.4","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","1.54178","CuKα","","0.0487","0.0484","","","0.1377","0.1381","","","","","","1.165","","","","has coordinates,has disorder","261707","2021-02-04","23:21:54",""
"1559683","14.366","0.003","14.366","0.003","12.8607","0.001","90","","90","","120","","2298.6","0.7","298","","298","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","x-ray","0.6889","synchrotron","","0.1752","0.1232","","","0.3099","0.3602","","","","","","1.198","","","","has coordinates,has disorder","261707","2021-02-04","23:21:54",""
"1559684","14.218","0.0012","14.218","0.0012","13.0014","0.0006","90","","90","","120","","2276.1","0.3","298","","298","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","x-ray","0.6889","synchrotron","","0.162","0.0851","","","0.2157","0.2857","","","","","","1.024","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559685","14.515","0.003","14.515","0.003","12.8247","0.001","90","","90","","120","","2340","0.7","298","","298","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C16 H6 Cd N2 O12 -","- C16 H6 Cd N2 O12 -","- C48 H18 Cd3 N6 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","x-ray","0.6889","synchrotron","","0.1539","0.1069","","","0.2728","0.3258","","","","","","1.102","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559686","13.9484","0.0007","13.9484","0.0007","13.1157","0.0004","90","","90","","120","","2209.89","0.17","298","","298","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","x-ray","0.6889","synchrotron","","0.0857","0.0542","","","0.1402","0.1676","","","","","","1.007","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559687","14.8744","0.001","14.8744","0.001","12.7248","0.0009","90","","90","","120","","2438.2","0.3","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81-DMF","","","- C16 H6 Cd N2 O12 -","- C16 H6 Cd N2 O12 -","- C48 H18 Cd3 N6 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","1.54178","CuKα","","0.0425","0.0335","","","0.095","0.1047","","","","","","1.069","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559688","14.921","0.0005","14.921","0.0005","12.7118","0.0005","90","","90","","120","","2450.94","0.15","140","","140","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81-DMF","","","- C16 H6 Cd N2 O12 -","- C16 H6 Cd N2 O12 -","- C48 H18 Cd3 N6 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","1.54178","CuKα","","0.0415","0.0336","","","0.0979","0.1063","","","","","","1.075","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1560571","7.038998","0.000007","7.038998","0.000007","6.370215","0.000007","90","","90","","120","","273.342","0.0005","573","","573","","","","","","","","","3","P 31 2 1","P 31 2""","152","hydrated rhabdophane","","","- O4 P Sm -","- O4 P Sm -","- O12 P3 Sm3 -","3","0.5","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Szenknect, Stéphanie; Dacheux, Nicolas","In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO 4 .0.667H 2 O to the hexagonal LnPO 4 (Ln = Nd, Sm, Gd, Eu and Dy)","Journal of Solid State Chemistry","2017","249","","221","227","10.1016/j.jssc.2017.03.004","powder diffraction","","0.58403","synchrotron","","","","","","","","","6.4726","","","","","","","","has coordinates","262154","2021-02-23","08:32:18",""
"1561477","8.9788","0.0001","8.9788","0.0001","44.4258","0.0006","90","","90","","120","","3101.72","0.06","93.15","","93.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","[1,1,1,1,5,5,5,5-octaaza-1,5(1,4)-dicyclododecana-3,7(1,3)-dibenzenacyclooctaphane]zinc(II)","","- C32 H60 N12 O16 Zn2 -","- C32 H60 N12 O16 Zn2 -","- C96 H180 N36 O48 Zn6 -","3","0.5","","ICHIMARU, Yoshimi; JIN, Wanchun; YAMAGUCHI, Yoshihiro; SUGIURA, Kirara; IMAI, Masanori; KUROSAKI, Hiromasa; FUJIOKA, Haruto; KOIKE, Tohru; HIEDA, Yuhzo; KATO, Koichi","Crystal Structure of [1<sup>1</sup>,1<sup>4</sup>,1<sup>7</sup>,1<sup>10</sup>,5<sup>1</sup>,5<sup>4</sup>,5<sup>7</sup>,5<sup>10</sup>-Octaaza-1,5(1,4)-dicyclododecana-3,7(1,3)-dibenzenacyclooctaphane]zinc(II) tetrakis(nitrate), [<i>m,m</i>-bis(Zn<sup>II</sup>-cyclen)](NO<sub>3</sub>)<sub>4</sub>","X-ray Structure Analysis Online","2021","37","0","15","16","10.2116/xraystruct.37.15","","x-ray","1.54184","CuKα","","0.0255","0.025","","","0.0621","0.0623","","","","","","1.158","","","","has coordinates","263863","2021-04-05","15:25:28",""
"1563323","12.3794","0.0004","12.3794","0.0004","17.8331","0.0006","90","","90","","120","","2366.77","0.13","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","SIT_105_150K","","","- C16 H18 Cl N O3.25 Os -","- C16 H18 Cl N O3.25 Os -","- C96 H108 Cl6 N6 O19.5 Os6 -","6","1","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0417","0.0364","","","0.0992","0.1032","","","","","","1.071","","","","has coordinates,has disorder","266372","2021-06-11","01:02:15",""
"1566003","13.8957","0.0006","13.8957","0.0006","34.124","0.002","90","","90","","120","","5706.3","0.5","130","2","130","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C32.5 H58.5 B1.5 Na Nd O8 -","- C32.5 H58.5 B1.5 Na Nd O8 -","- C195 H351 B9 Na6 Nd6 O48 -","6","1","","Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.","Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization","Inorganica Chimica Acta","2022","529","","120638","","10.1016/j.ica.2021.120638","","","0.71073","MoKα","","0.1316","0.0911","","","0.2317","0.2592","","","","","","1.035","","","","has coordinates,has disorder","272094","2022-01-18","08:32:29",""
"1566427","10.0094","0.0004","10.0094","0.0004","42.946","0.002","90","","90","","120","","3726.2","0.3","219.99","0.1","219.99","0.1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C30 H29 N O S -","- C30 H29 N O S -","- C180 H174 N6 O6 S6 -","6","1","","Zhang, Qiu-Chi; Xue, Xiaoping; Hong, Biqiong; Gu, Zhenhua","Torsional Strain Inversed Chemoselectivity in Pd-Catalyzed Atroposelective Carboxylation Reaction of Dibenzothiophenium","Chemical Science","2022","","","","","10.1039/D2SC00341D","","x-ray","1.54184","CuKα","","0.0471","0.0436","","","0.106","0.1089","","","","","","1.09","","","","has coordinates","273193","2022-03-01","23:12:24",""
"1567635","21.5982","0.001","21.5982","0.001","6.9071","0.0004","90","","90","","120","","2790.4","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(ee-2)0.902(ee-2-CO2)0.690","","","- C24.24 H31.47 N3.18 O7.38 Zn2 -","- C24.242 H31.472 N3.184 O7.788 Zn2 -","- C72.726 H94.416 N9.552 O23.364 Zn6 -","3","0.5","","Siegelman, Rebecca L.; Thompson, Joshua A.; Mason, Jarad; McDonald, Thomas M.; Long, Jeffrey R.","A cooperative adsorbent for the switch-like capture of carbon dioxide from crude natural gas","Chemical Science","2022","","","","","10.1039/D2SC03570G","","","0.7288","synchrotron","","0.0395","0.0335","","","0.0877","0.0906","","","","","","1.086","","","","has coordinates,has disorder","277814","2022-09-13","22:11:06",""
"1568325","11.4344","0.0006","11.4344","0.0006","29.4398","0.0016","90","","90","","120","","3333.4","0.3","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C8 H44 B40 Cu4 S4 -","- C8 H44 B40 Cu4 S4 -","- C24 H132 B120 Cu12 S12 -","3","0.5","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.057","0.0513","","","0.1266","0.1305","","","","","","1.121","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1570278","7.761","0.0002","7.761","0.0002","56.211","0.0018","90","","90","","120","","2932.16","0.14","293","2","293","2","","","","","","","","3","P 31 2 1","P 31 2""","152","Nandrolone_propionate","19_nortestosterone_17β-propionate_hemihydrate","","- C42 H62 O6.5 -","- C42 H62 O6.5 -","- C126 H186 O19.5 -","3","0.5","","Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta","Crystal Structure and Intermolecular Energy for Some Nandrolone Esters.","Molecules (Basel, Switzerland)","2023","28","20","7179","","10.3390/molecules28207179","","","1.54184","CuKα","","0.0827","0.068","","","0.2032","0.221","","","","","","1.045","","","","has coordinates","287462","2023-11-07","03:01:25",""
"1571126","21.174","0.003","21.174","0.003","13.5099","0.0019","90","","90","","120","","5245.5","1.3","296.15","","296.15","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Mac","","- C54 H64 O8 -","- C54 H64 O8 -","- C162 H192 O24 -","3","0.5","","Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei","Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran.","Molecules (Basel, Switzerland)","2024","29","3","719","","10.3390/molecules29030719","","","0.71073","MoKα","","0.1165","0.059","","","0.1418","0.167","","","","","","0.974","","","","has coordinates","290308","2024-03-05","13:43:07",""
"1571375","11.43405","0.00006","11.43405","0.00006","25.89293","0.00013","90","","90","","120","","2931.65","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C25 H25.17 N O2.08 -","- C25 H25.1666 N O2.0833 -","- C150 H151 N6 O12.4998 -","6","1","","Chen, Bin; Pan, Bendu; He, Xiaobo; Jiang, Long; Chan, Albert S. C.; Qiu, Liqin","Access to chiral dihydrophenanthridines <i>via</i> a palladium(0)-catalyzed Suzuki coupling and C-H arylation cascade reaction using new chiral-bridged biphenyl bifunctional ligands.","Chemical science","2024","15","18","6884","6890","10.1039/d4sc00621f","","x-ray","1.54184","CuKα","","0.0275","0.0272","","","0.0729","0.0733","","","","","","1.026","","","","has coordinates,has disorder","292914","2024-07-05","15:05:26",""
"1571444","10.8811","0.0012","10.8811","0.0012","31.653","0.005","90","","90","","120","","3245.6","0.7","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C2.57 H3.86 Cu0.14 N0.86 O0.86 -","- C2.57143 H3.28571 Cu0.142857 N0.857143 O0.571429 -","- C108 H138 Cu6 N36 O24 -","42","7","","Maniappan, Sonia; Dutta, Camelia; Cheran, Arunima; Solís, Diego M; Kumar, Jatish","Engineering copper plasmonic chirality <i>via</i> ligand-induced dissolution for enantioselective recognition of amino acids.","Chemical science","2024","15","19","7121","7129","10.1039/d4sc00477a","","","0.71073","MoKα","","0.0601","0.0576","","","0.1435","0.1447","","","","","","1.123","","","","has coordinates","292888","2024-07-05","14:57:09",""
"2000053","10.734","0.004","10.734","0.004","35.245","0.006","90","","90","","120","","3516.83","","","","","","","","","","","","","6","P 31 2 1","P 31 2""","152","Chloro-bis((-)ephedrene)-palladium(ii)","","","- C20 H29 Cl N2 O2 Pd -","- C20 H29 Cl N2 O2 Pd -","- C120 H174 Cl6 N12 O12 Pd6 -","6","1","","Bouquillon, S.; du Moulinet d'Hardemare, A.; Averbuch-Pouchot, M.-T.; Hénin, F.; Muzart, J.; Durif, A.","A coordination compound of (‒)-ephedrine and palladium(II)","Acta Crystallographica, Section C: Crystal Structure Communications","1999","55","12","2028","2030","10.1107/s0108270199011555","","","","","","","0.03","","","0.03","","","","","","","","","","","has coordinates","199776","2020-10-21","18:00:00",""
"2001521","9.71","0.002","9.71","0.002","25.746","0.006","90","","90","","120","","2102.2","0.8","295","2","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C20 Co6 O18 -","- C20 Co6 O18 -","- C60 Co18 O54 -","3","0.5","HH1034","Geiser, U.; Kini, A. M.","Structure of the trigonal phase of bis(methinyltricobaltenneacarbonyl), [CCo~3~(CO)~9~]~2~","Acta Crystallographica Section C","1993","49","7","1322","1324","10.1107/S010827019300085X","","","0.7107","MoKα","","","0.025","","","0.023","","","","","0.948","0.948","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2001717","11.086","0.002","11.086","0.002","14.367","0.004","90","","90","","120","","1529.1","0.6","","","","","","","","","","","","5","P 31 2 1","P 31 2""","","","","","- C21 H29 Cl N2 O -","- C21 H29 Cl N2 O -","- C63 H87 Cl3 N6 O3 -","3","0.5","LI1010","Marsh, R. E.","On the structure of 9-amino-2,7-di-<i>tert</i>-butylacridine","Acta Crystallographica Section C","1993","49","1","193","","10.1107/S0108270192005201","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","191091","2020-10-21","18:00:00",""
"2001911","12.971","0.003","12.971","0.003","25.74","0.012","90","","90","","120","","3750","2","293","","293","","","","","","","","","3","P 31 2 1","P 31 2""","152","","tetramethyl tert-butylcalix[4]arene tetraketone","","- C56 H72 O8 -","- C56 H72 O8 -","- C168 H216 O24 -","3","0.5","MU1016","Ferguson, G.; Gallagher, J. F.; McKervey, M. A.","Tetramethyl <i>tert</i>-butylcalix[4]arene tetraketone","Acta Crystallographica Section C","1993","49","3","602","604","10.1107/S0108270192010515","","","0.7093","MoKα","","0.08","0.048","","0.067","0.062","","","","","1.59","1.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002855","4.003","0.011","4.003","0.011","27.67899","0.017","90","","90","","120","","384.1","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Distrontium copper(I) dioxide chloride","","- Cl Cu O2 Sr2 -","- Cl Cu O2 Sr2 -","- Cl3 Cu3 O6 Sr6 -","3","0.5","","Mueller-Buschbaum, Hk; Leib, W","Ueber Oxocuprate, XXVI: Synthese und Struktur eines Oxohalogenocuprat(I): Sr2 Cu O2 Cl","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1985","116","","1","5","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003929","20.27","0.009","20.27","0.009","12.3","0.05","90","","90","","120","","4377","18","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","cis-diammine-bisacyclovir platinum(II) chloride dihydrate","cis-diamminebis{2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one} platinum(II) chloride dihydrate","","- C16 H32 Cl2 N12 O8 Pt -","- C16 H20 Cl2 N12 O8 Pt -","- C96 H120 Cl12 N72 O48 Pt6 -","6","1","NA1142","Sinur, A.; Grabner, S.","A Platinum(II) Diammine Complex: <i>cis</i>-[Pt(C~8~H~11~N~5~O~3~)~2~(NH~3~)~2~]Cl~2~.2H~2~O","Acta Crystallographica Section C","1995","51","9","1769","1772","10.1107/S0108270195002563","","","0.71069","MoKα","","0.065","0.054","","0.066","0.056","","","","3.013","2.843","2.843","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004311","8.79","0.002","8.79","0.002","24.831","0.005","90","","90","","120","","1661.5","0.6","295","","","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C10 H18 Br4 N8 S2 Zn -","- C10 H18 Br4 N8 S2 Zn -","- C30 H54 Br12 N24 S6 Zn3 -","3","0.5","PA1185","Salas, J. M.; Romero, M. A.; Faure, R.","Bis(4,6-diamino-2-methylthiopyrimidinium) Tetrabromozincate(II)","Acta Crystallographica Section C","1995","51","12","2532","2534","10.1107/S0108270195007992","","","0.7107","MoKα","","","0.075","","","0.088","","","","","4.7","4.7","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2005488","8.1765","0.001","8.1765","","26.34","0.002","90","","90","","120","","1525","0.2","294","1","294","1","","","","","","","","4","P 31 2 1","P 31 2""","152","","Ferrocene-1,1'-diylbis(2-phenylethanedione)","","- C26 H18 Fe O4 -","- C26 H18 Fe O4 -","- C78 H54 Fe3 O12 -","3","0.5","CF1133","Ferguson, G.; Glidewell, C.; Royles, B. J. L.; Smith, D. M.","1,1'-Ferrocenediylbis(2-phenylethanedione): a Three-Dimensional Network Generated by Short C—H···O Hydrogen Bonds","Acta Crystallographica Section C","1996","52","10","2465","2468","10.1107/S0108270196009699","","","0.7107","MolybdenumKα","","0.0681","0.0487","","0.1157","0.1074","","","","1.065","1.134","1.134","","","","","has coordinates","192286","2020-10-21","18:00:00",""
"2007297","9.921","0.001","9.921","0.001","26.88","0.005","90","","90","","120","","2291.2","0.5","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","(2R,4S,6S)-(+)-2-N-benzylmethyl-amino-2-thio-4,6- dimethyl-1,3,2-dioxaphosphorinane","","","- C13 H20 N O2 P S -","- C13 H20 N O2 P S -","- C78 H120 N6 O12 P6 S6 -","6","1","BK1328","Hommer, Herbert; Domínguez, Zaira; Gordillo, Bárbara","(4<i>S</i>,6<i>S</i>,11<i>R</i>)-(+)-<i>trans</i>-4,6-Dimethyl-2-(1-phenylethylamino)-2-thio-1,3,2λ^5^-dioxaphosphorinane","Acta Crystallographica Section C","1998","54","6","832","834","10.1107/S0108270197020179","","","0.71073","MoKα","","0.055","0.037","","0.112","0.106","","","","1.137","1.262","1.262","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007501","11.0341","0.0008","11.0341","0.0008","62.874","0.009","90","","90","","120","","6629.4","1.2","150","2","150","2","","","","","","","","3","P 31 2 1","P 31 2""","152","β-dihydroentandrophragmin","","","- C44.42 H60.84 O17.71 -","- C44.42 H60.84 O17.71 -","- C266.52 H365.04 O106.26 -","6","1","BM1227","Baxter, Robert L.; Dijksma, Fokke J. J.; Gould, Robert O.; Parsons, Simon","β-Dihydroentandrophragmin‒Ethyl Acetate (1/0.355)","Acta Crystallographica Section C","1998","54","8","1182","1184","10.1107/S0108270198006076","","","1.54184","CuKα","","0.093","0.075","","","","0.21","","","","","","1.043","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009275","10.734","0.004","10.734","0.004","35.245","0.006","90","","90","","120","","3517","1","293","","293","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C20 H29 Cl N2 O2 Pd -","- C20 H29 Cl N2 O2 Pd -","- C120 H174 Cl6 N12 O12 Pd6 -","6","1","","Bouquillon, Sandrine; du Moulinet d'Hardemare, Amaury; Averbuch-Pouchot, Marie-Thérèse; Hénin, Françoise; Muzart, Jacques; Durif, André","A coordination compound of (-)-ephedrine and palladium(II)","Acta Crystallographica Section C","1999","55","","2028","2030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009765","7.0557","0.0007","7.0557","0.0007","12.9669","0.0009","90","","90","","120","","559.05","0.09","296","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H2 La Na O9 S2 -","- H2 La Na O10 S2 -","- H6 La3 Na3 O30 S6 -","3","0.5","CR1065","Blackburn, A.C.; Gerkin, R.E.","Sodium lanthanum(III) sulfate monohydrate, NaLa(SO~4~)~2~.H~2~O","Acta Crystallographica Section C","1994","50","6","835","838","10.1107/S0108270193010066","","","0.71073","MoKᾱ","","","0.014","","","0.024","","","","","1.39","1.39","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2011949","11.3717","0.0006","11.3717","0.0006","36.739","0.003","90","","90","","120","","4114.4","0.5","293","2","293","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","3α-hydroxytirucalla-7,24-diene-21-oic acid","","- C30 H48 O3 -","- C30 H48 O3 -","- C180 H288 O18 -","6","1","DA1159","Mora, Asiloé J.; Delgado, Gerzon; Delgado, Graciela Díaz de; Usubillaga, Alfredo; Khouri, Nancy; Bahsas, Ali","3α-Hydroxytirucalla-7,24-dien-21-oic acid: a triterpene from <i>Protium crenatum</i> Sandwith","Acta Crystallographica Section C","2001","57","5","638","640","10.1107/S0108270101003316","","","0.71073","MoKα","","0.101","0.049","","","","0.14","","","","","","0.901","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012328","10.78","0.002","10.78","0.002","13.449","0.002","90","","90","","120","","1353.5","0.4","293","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Ca1.73 Ge3 Na2.54 O9 -","- Ca1.73 Ge3 Na2.54 O9 -","- Ca10.38 Ge18 Na15.24 O54 -","6","1","IZ1014","Nishi, Fumito","Trigonal sodium calcium germanate, Na~2.54~Ca~1.73~Ge~3~O~9~","Acta Crystallographica Section C","2001","57","11","1231","1233","10.1107/S0108270101012963","","","0.71073","MoKα","","","0.062","","","","0.068","","","","","","1.34","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015875","11.3363","0.0009","11.3363","0.0009","11.1523","0.0013","90","","90","","120","","1241.2","0.2","274","2","274","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","catena-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^N:N'] thiosulfate dihydrate]","","- C10 H20 N2 Ni O9 S2 -","- C10 H20 N2 Ni O9 S2 -","- C30 H60 N6 Ni3 O27 S6 -","3","0.5","AV3057","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","An unusual <i>P</i>3~1~2 framework for the Ni(4,4'-bipyridine)(H~2~O)~4~ chain","Acta Crystallographica Section C","2007","63","4","m153","m156","10.1107/S0108270107007214","","","0.71073","MoKα","","0.0411","0.0353","","","0.0793","0.0818","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015876","11.2916","0.001","11.2916","0.001","23.66","0.003","90","","90","","120","","2612.5","0.5","273","2","273","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","catena-poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^N:N'] sulfate methanol solvate monohydrate","","- C11 H22 N2 Ni O10 S -","- C11 H22 N2 Ni O10 S -","- C66 H132 N12 Ni6 O60 S6 -","6","1","AV3057","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","An unusual <i>P</i>3~1~2 framework for the Ni(4,4'-bipyridine)(H~2~O)~4~ chain","Acta Crystallographica Section C","2007","63","4","m153","m156","10.1107/S0108270107007214","","","0.71073","MoKα","","0.0915","0.0678","","","0.1346","0.1441","","","","","","0.923","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2020133","6.968","","6.968","","6.41","","90","","90","","120","","269.529","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Ca S O4 (H2 O).8","","- Ca H1.6 O4.8 S -","- Ca H1.6 O4.8 S -","- Ca3 H4.8 O14.4 S3 -","3","0.5","","Abriel, W.","Calcium Sulfat Subhydrat, Ca S O4 (H2 O).8","Acta Crystallographica C (39,1983-)","1983","39","","956","958","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2020170","7.6379","","7.6379","","18.707","","90","","90","","120","","945.111","","","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","Cd Sr (N O2)4 (H2 O)4","","- Cd H8 N4 O12 Sr -","- Cd H8 N4 O12 Sr -","- Cd3 H24 N12 O36 Sr3 -","3","0.5","","Aoyama, T.; Ohba, S.; Saito, Y.","Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium tetranitrite tetrahydrate and cadmium strontium tetranitrite tetrahydrate.","Acta Crystallographica C (39,1983-)","1988","44","","1703","1707","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2020222","4.456","","4.456","","5.921","","90","","90","","120","","101.816","","","","","","","","","","","","","1","P 31 2 1","P 31 2""","152","","","","- Te -","- Te -","- Te3 -","3","0.5","","Adenis, C.; Langer, V.; Lindqvist, O.","Reinvestigation of the structure of tellurium","Acta Crystallographica C (39,1983-)","1989","45","","941","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2022614","10.5989","0.0001","10.5989","0.0001","28.4478","0.0002","90","","90","","120","","2767.58","0.04","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Turinabol hemihydrate","4-Chloro-17β-hydroxy-17α-methylandrosta-1,4-dien-3-one hemihydrate","","- C20 H28 Cl O2.5 -","- C20 H28 Cl O2.5 -","- C120 H168 Cl6 O15 -","6","1","VP3023","Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe","Solid forms and β-cyclodextrin complexation of turinabol","Acta Crystallographica Section C","2022","78","5","305","313","10.1107/S2053229622004004","","x-ray","1.54184","CuKα","","0.032","0.0311","","","0.0823","0.0832","","","","","","1.073","","","","has coordinates,has Fobs","275878","2022-06-07","13:20:36",""
"2100205","9.5305","0.0003","9.5305","0.0003","7.5479","0.0002","90","","90","","120","","593.73","0.03","90","1","90","1","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- B4 Fe3 Gd O12 -","- B4 Fe3 Gd O12 -","- B12 Fe9 Gd3 O36 -","3","0.5","","Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M.","Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4","Acta Crystallographica, Section B: Structural Science","2005","61","5","481","485","10.1107/s0108768105017362","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2102615","16.0682","0.0006","16.0682","0.0006","11.5317","0.0009","90","","90","","120","","2578.4","0.2","105","2","105","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","L-Isoleucyl-L-isoleucine nitrate","","- C13.08 H25 N3 O6 -","- C13.081 H25 N3 O6 -","- C78.486 H150 N18 O36 -","6","1","DE5006","Görbitz, Carl Henrik","A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine","Acta Crystallographica Section B","2004","60","5","569","577","10.1107/S0108768104014569","","","0.71073","MoKα","","0.1079","0.0682","","","0.1612","0.1808","","","","","","1.058","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103346","7.59","","7.59","","43.99","","90","","90","","120","","2194.67","","","","","","","","","","","","","4","P 31 2 1","","","","","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C90 H126 Br6 O18 -","6","1","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103348","12.8071","","12.8071","","9.8157","","90","","90","","120","","1394.29","","","","","","","","","","","","","6","P 31 2 1","","","","","","- C18 H18 Cu N2 Ni O9 -","- C18 H12 Cu N2 Ni O10 -","- C54 H36 Cu3 N6 Ni3 O30 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103350","8.059","","8.059","","25.187","","90","","90","","120","","1416.67","","","","","","","","","","","","","3","P 31 2 1","","","","","","- C22 H28 Fe2 -","- C22 Fe2 -","- C66 Fe6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103351","9.136","","9.136","","23.34","","90","","90","","120","","1687.11","","","","","","","","","","","","","5","P 31 2 1","","","","","","- C24 H20 Cl2 N4 Pd -","- C24 H20 Cl2 N4 Pd -","- C72 H60 Cl6 N12 Pd3 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103352","8.518","","8.518","","26.638","","90","","90","","120","","1673.81","","","","","","","","","","","","","5","P 31 2 1","","","","","","- C20 H38 Cl P S -","- C20 Cl P S -","- C60 Cl3 P3 S3 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103355","10.749","","10.749","","19.872","","90","","90","","120","","1988.42","","","","","","","","","","","","","6","P 31 2 1","","","","","","- C21 H51 O8 P5 Pd5 S4 -","- C18 O8 P5 Pd5 S4 -","- C54 O24 P15 Pd15 S12 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103360","8.971","","8.971","","34.01","","90","","90","","120","","2370.39","","","","","","","","","","","","","5","P 31 2 1","","","","","","- C34 H48 Co N2 O2 -","- C34 H42 Co N2 O2 -","- C102 H126 Co3 N6 O6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103365","13.114","","13.114","","21.004","","90","","90","","120","","3128.26","","","","","","","","","","","","","6","P 31 2 1","","","","","","- C32 H40 Er F12 Na O8 -","- C32 H40 Er F12 Na O8 -","- C96 H120 Er3 F36 Na3 O24 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103368","11.034","","11.034","","39.495","","90","","90","","120","","4164.27","","","","","","","","","","","","","6","P 31 2 1","","","","","","- C61 H52 Mo2 O8 P2 S2 -","- C61 H52 Mo2 O8 P2 S2 -","- C183 H156 Mo6 O24 P6 S6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103369","19.406","","19.406","","10.759","","90","","90","","120","","3508.93","","","","","","","","","","","","","6","P 31 2 1","","","","","","- C35 H37 Fe2 N5 O11 S2 -","- C35 Fe2 N6 O11 S2 -","- C105 Fe6 N18 O33 S6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103373","9.28","","9.28","","19.329","","90","","90","","120","","1441.57","","","","","","","","","","","","","4","P 31 2 1","","","","","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C60 H66 N12 O6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103380","11.053","","11.053","","9.889","","90","","90","","120","","1046.27","","","","","","","","","","","","","5","P 31 2 1","","","","","","- C10 H20 Co N2 O9.5 -","- C10 H12 Co N2 O10 -","- C30 H36 Co3 N6 O30 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103383","8.539","","8.539","","28.123","","90","","90","","120","","1775.85","","","","","","","","","","","","","5","P 31 2 1","","","","","","- C24 H38 N2 O2 Os -","- C24 N2 O2 Os -","- C72 N6 O6 Os3 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103385","12.846","","12.846","","8.138","","90","","90","","120","","1163.01","","","","","","","","","","","","","4","P 31 2 1","","","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C54 H54 N6 O6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103844","6.7302","0.001","6.7302","0.001","34.345","0.007","90","","90","","120","","1347.3","0.4","150","1","150","1","","","","","","","","4","P 31 2 1","P 31 2""","152","","(1R,3S)-Camphoric acid‒4,4'-bipyridyl (1/1)","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C60 H72 N6 O12 -","3","0.5","NA0144","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","(1<i>R</i>,3<i>S</i>)-Camphoric acid as a building block in supramolecular chemistry: adducts with organic polyamines","Acta Crystallographica Section B","2003","59","1","118","131","10.1107/S0108768102022358","","","0.71073","MoKα","","0.0535","0.0382","","","0.0903","0.0972","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2104859","9.0538","0.0001","9.0538","0.0001","32.4921","0.0004","90","","90","","120","","2306.59","0.05","130","0.1","130","0.1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C15 H21 Cl N2 S -","- C15 H21 Cl N2 S -","- C90 H126 Cl6 N12 S6 -","6","1","ZB5015","Plutecka, Agnieszka; Rychlewska, Urszula; Prusinowska, Natalia; Gawroński, Jacek","Solid solution of two diastereomers of [3a(<i>R</i>,<i>S</i>),7a(<i>R</i>,<i>S</i>)]-3-[(1'<i>R</i>)-1-phenylethyl]perhydro-1,3-benzothiazol-2-iminium chloride","Acta Crystallographica Section B","2010","66","6","678","686","10.1107/S0108768110040760","","","1.54178","CuKα","","0.0282","0.0277","","","0.072","0.0721","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2106932","6.866","","6.866","","17.088","","90","","90","","120","","697.637","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","","","- Fe7 S8 -","- Fe7.017 S8 -","- Fe21.051 S24 -","3","0.5","","Keller-Besrest, F.; Collin, G.","Structure and planar faults in the defective Ni As-type compound 3c Fe7 S8","Acta Crystallographica B (39,1983-)","1982","39","","296","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2108217","9.5161","0.0001","9.5161","0.0001","7.5441","0.0001","90","","90","","120","","591.638","0.012","90","","90","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.056 Fe3 O12 Y0.944 -","- B4 Bi0.056 Fe3 O12 Y0.944 -","- B12 Bi0.168 Fe9 O36 Y2.832 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0258","0.0181","","","0.0138","0.014","","","","1.14","1.14","0.98","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108218","9.5191","0.0001","9.5191","0.0001","7.5517","0.0001","90","","90","","120","","592.607","0.012","295","","295","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.053 Fe3 O12 Y0.947 -","- B4 Bi0.0535 Fe3 O12 Y0.9465 -","- B12 Bi0.1605 Fe9 O36 Y2.8395 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0505","0.0195","","","0.0125","0.0141","","","","0.85","0.85","0.67","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108219","9.5261","0.0001","9.5261","0.0001","7.5589","0.0001","90","","90","","120","","594.045","0.012","350","","350","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.054 Fe3 O12 Y0.946 -","- B4 Bi0.0539 Fe3 O12 Y0.9461 -","- B12 Bi0.1617 Fe9 O36 Y2.8383 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0652","0.0197","","","0.0137","0.0159","","","","0.96","0.96","0.7","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108220","9.5194","0.0001","9.5194","0.0001","7.5552","0.0001","90","","90","","120","","592.92","0.012","360","","360","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B12 Bi0.15 Fe9 O36 Y2.85 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0584","0.0182","","","0.0136","0.0147","","","","1.01","1.01","0.67","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108221","9.5259","0.0001","9.5259","0.0001","7.5624","0.0001","90","","90","","120","","594.295","0.012","365","","365","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B4 Bi0.0499 Fe3 O12 Y0.9501 -","- B12 Bi0.1497 Fe9 O36 Y2.8503 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0696","0.0179","","","0.0124","0.0146","","","","0.96","0.96","0.68","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108222","9.5245","0.0001","9.5245","0.0001","7.557","0.0001","90","","90","","120","","593.696","0.012","370","","370","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.053 Fe3 O12 Y0.947 -","- B4 Bi0.0534 Fe3 O12 Y0.9466 -","- B12 Bi0.1602 Fe9 O36 Y2.8398 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.072","0.0174","","","0.0123","0.0136","","","","0.98","0.98","0.61","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108227","9.5131","0.0001","9.5131","0.0001","7.5396","0.0001","90","","90","","120","","590.912","0.012","90","","90","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B12 Bi0.15 Fe9 O36 Y2.85 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.6742","Synchrotron","","0.0219","0.0218","","","0.0297","0.0299","","","","1.32","1.32","1.32","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108228","9.5217","0.0001","9.5217","0.0001","7.5547","0.0001","90","","90","","120","","593.167","0.012","295","","295","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.058 Fe3 O12 Y0.942 -","- B4 Bi0.058 Fe3 O12 Y0.942 -","- B12 Bi0.174 Fe9 O36 Y2.826 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.6742","Synchrotron","","0.0131","0.013","","","0.0207","0.0209","","","","1.09","1.09","1.1","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108502","9.5177","0.0001","9.5177","0.0001","7.538","0.001","90","","90","","120","","591.36","0.08","90","","90","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0183","0.0183","","","0.0454","0.0454","","","","0.98","0.98","0.98","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108503","9.5245","0.0001","9.5245","0.0001","7.5481","0.0001","90","","90","","120","","592.997","0.012","293","0.1","293","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0124","0.0124","","","0.0246","0.0246","","","","0.99","0.99","0.99","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108504","9.5291","0.0001","9.5291","0.0001","7.5601","0.0001","90","","90","","120","","594.514","0.012","350","0.1","350","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0209","0.0209","","","0.0524","0.0524","","","","1.01","1.01","1.01","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108505","9.5301","0.0002","9.5301","0.0002","7.5615","0.0001","90","","90","","120","","594.749","0.019","360","0.1","360","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0138","0.0138","","","0.03","0.03","","","","1.04","1.04","1.04","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2200745","7.0429","0.0005","7.0429","0.0005","10.0166","0.0007","90","","90","","120","","430.28","0.05","293","2","293","2","","","","","","","Synthetic","3","P 31 2 1","P 31 2""","152","Schuetteite","Trimercury(II) dioxide sulfate(VI)","Schuetteite","- Hg3 O6 S -","- Hg3 O6 S -","- Hg9 O18 S3 -","3","0.5","OM6059","Weil, Matthias","Schuetteite, Hg~3~(SO~4~)O~2~, a re-investigation","Acta Crystallographica Section E","2001","57","11","i98","i100","10.1107/S1600536801017561","","","0.71073","MoKα","","0.0237","0.0212","","","","0.0512","","","","","","1.039","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:33",""
"2201295","7.4925","0.0005","7.4925","0.0005","23.989","0.003","90","","90","","120","","1166.26","0.18","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","2046","","","- C4 H10 Li N O5 -","- C4 H10 Li N O5 -","- C24 H60 Li6 N6 O30 -","6","1","BT6184","Henderson, Wesley A.; Brooks, Neil R.; Smyrl, William H.","Polymeric [Li(NO~3~)(monoglyme)]~<i>n~</i>","Acta Crystallographica Section E","2002","58","9","m500","m501","10.1107/S160053680201499X","","","0.71073","MoKα","","0.029","0.0247","","","0.0587","0.0603","","","","","","1.063","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2202447","13.4869","0.001","13.4869","0.001","31.046","0.004","90","","90","","120","","4890.6","0.8","170","2","170","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Beclomethasone Dipropionate (BDP)","9α-chloro-16β-methyl-3,20-dioxo-1,4-pregnadiene-11β,17,21-triol 17,21-dipropionate","","- C32 H49 Cl O9 -","- C28 H37 Cl O7 -","- C168 H222 Cl6 O42 -","6","1","CF6289","Philip J. Kuehl; Carducci, Michael D.; Paul B. Myrdal","An ethanol solvate of Beclomethasone dipropionate","Acta Crystallographica Section E","2003","59","12","o1888","o1890","10.1107/S1600536803024425","","","0.71073","MoKα","","0.0959","0.0665","","","0.1099","0.1182","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202639","13.4642","0.0003","13.4642","0.0003","31.1187","0.0015","90","","90","","120","","4885.5","0.3","170","2","170","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Beclomethasone Dipropionate (BDP)","","","- C34 H51 Cl F4 O9 -","- C28 H37 Cl O7 -","- C168 H222 Cl6 O42 -","6","1","FL6051","Julie A. Harris; Carducci, Michael D.; Myrdal, Paul B.","Beclomethasone dipropionate crystallized from HFA-134a and ethanol","Acta Crystallographica Section E","2003","59","11","o1631","o1633","10.1107/S1600536803021196","","","0.71073","MoKα","","0.0519","0.0444","","","0.0963","0.0994","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206101","10.7701","0.0005","10.7701","0.0005","6.3526","0.0002","90","","90","","120","","638.15","0.05","150","","150","","","","","","","","","5","P 31 2 1","P 31 2""","152","","Sodium 3,5-dinitrobenzoate","","- C7 H3 N2 Na O6 -","- C7 H3 N2 Na O6 -","- C21 H9 N6 Na3 O18 -","3","0.5","WW6381","Jones, Helen P.; Gillon, Amy L.; Davey, Roger J.","Sodium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2005","61","6","m1131","m1132","10.1107/S1600536805014893","","","0.71073","MoKα","","0.0274","0.0255","","","0.0655","0.0662","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2213057","10.8279","0.0004","10.8279","0.0004","44.2504","0.0008","90","","90","","120","","4493","0.2","294","2","294","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Lappaconitine","(1S,4S,5S,7S,8S,9S,10S,11S,13R,14S,16S,17R)-20-ethyl-4,8,9-trihydroxy- 1,14,16-trimethoxyacontin-4-yl 2-(acetylamino)benzoate","","- C32 H44 N2 O8 -","- C32 H44 N2 O8 -","- C192 H264 N12 O48 -","6","1","WW2045","Wang, Yun-Pu; Sun, Wen-Xiu; Zhang, Ji; Liu, Han-Shi; Wen, Hui-Hui","Lappaconitine","Acta Crystallographica Section E","2007","63","4","o1645","o1647","10.1107/S1600536807007131","","","0.71073","MoKα","","0.0502","0.0409","","","0.0939","0.0994","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214391","22.1138","0.0003","22.1138","0.0003","12.8884","0.0002","90","","90","","120","","5458.29","0.13","291","2","291","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","Bis(μ-4-benzyl-3,5-diphenylpyrazolato-κ^2^<i>N</i>:<i>N</i>')bis[(4,4'-\ dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II)] bis(hexafluoridophosphate) diethyl ether monosolvate monohydrate","","- C72 H70 F12 N8 O2 P2 Pd2 -","- C72 H70 F12 N8 O2 P2 Pd2 -","- C216 H210 F36 N24 O6 P6 Pd6 -","3","0.5","SI2018","Hai-Ping Huang; Li-Xia Liu","Bis(μ-4-benzyl-3,5-diphenylpyrazolato-κ^2^<i>N</i>:<i>N</i>')bis[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II)] bis(hexafluorophosphate) diethyl ether monosolvate monohydrate","Acta Crystallographica Section E","2007","63","7","m1875","m1876","10.1107/S1600536807028401","","","0.71073","MoKα","","0.053","0.0449","","","0.1321","0.1435","","","","","","1.095","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219917","13.038","0.001","13.038","0.001","18.069","0.003","90","","90","","120","","2660","0.5","298","2","298","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","Bis[2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazitato]dipyridinecadmium(II)","","- C38 H32 Cd N6 O8 -","- C38 H32 Cd N6 O8 -","- C114 H96 Cd3 N18 O24 -","3","0.5","KP2188","Chen, Yu-Ting; Li, Da-Cheng","Bis[2-hydroxy-<i>N</i>'-(2-hydroxybenzoyl)benzohydrazitato]dipyridinecadmium(II)","Acta Crystallographica Section E","2008","64","11","m1466","","10.1107/S1600536808034533","","","0.71073","MoKα","","0.0387","0.0274","","","0.0624","0.0714","","","","","","0.997","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219995","13.9784","0.0003","13.9784","0.0003","30.4763","0.0015","90","","90","","120","","5157.1","0.3","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","<i>N</i>-{<i>N</i>-[<i>N</i>-(1,1-Dimethylethoxycarbonyl)-L-leucyl]- <i>N</i>-methyl-L-leucyl}-<i>N</i>-methyl-L-leucine benzyl ester","","- C32 H53 N3 O6 -","- C32 H53 N3 O6 -","- C192 H318 N18 O36 -","6","1","SI2119","Xu, Wen Jie; Liao, Xiao Jian; Diao, Jian Zhong; Zhou, Lei; Xu, Shi Hai","<i>N</i>-{<i>N</i>-[<i>N</i>-(1,1-Dimethylethoxycarbonyl)-<small>L</small>-leucyl]-<i>N</i>-methyl-<small>L</small>-leucyl}-<i>N</i>-methyl-<small>L</small>-leucine benzyl ester","Acta Crystallographica Section E","2008","64","11","o2178","","10.1107/S1600536808034247","","","0.71073","MoKα","","0.0597","0.0476","","","0.128","0.1381","","","","","","1.046","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2224030","11.9901","0.0002","11.9901","","13.6054","0.0002","90","","90","","120","","1693.9","0.04","193","2","193","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","10,10'-Methylenebis[2,3-dihydro-1<i>H</i>- benzo[<i>e</i>]pyrrolo[1,2-<i>a</i>][1,4]diazepine- 5,11(10<i>H</i>,11a<i>H</i>)-dione] dihydrate","","- C25 H28 N4 O6 -","- C25 H28 N4 O6 -","- C75 H84 N12 O18 -","3","0.5","TK2545","Benzeid, Hanane; Saffon, Nathalie; Garrigues, Bernard; Essassi, El Mokhtar; Ng, Seik Weng","10,10'-Methylenebis[2,3-dihydro-1<i>H</i>-benzo[<i>e</i>]pyrrolo[1,2-<i>a</i>][1,4]diazepine-5,11(10<i>H</i>,11a<i>H</i>)-dione] dihydrate","Acta Crystallographica Section E","2009","65","11","o2684","","10.1107/S1600536809040501","","","0.71073","MoKα","","0.047","0.043","","","0.124","0.126","","","","","","1.18","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224604","12.5772","0.0013","12.5772","0.0013","23.758","0.003","90","","90","","120","","3254.7","0.6","298","2","298","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","Bis(benzo-15-crown-5-κ^5^<i>O</i>)barium tetrakis(isothiocyanato-κ<i>N</i>)cobaltate(II)","","- C32 H40 Ba Co N4 O10 S4 -","- C32 H40 Ba Co N4 O10 S4 -","- C96 H120 Ba3 Co3 N12 O30 S12 -","3","0.5","CV2669","Cao, Zhiqiang; Liu, Kai; Niu, Meiju; Wang, Daqi","Bis(benzo-15-crown-5-κ^5^<i>O</i>)barium tetrakis(isothiocyanato-κ<i>N</i>)cobaltate(II)","Acta Crystallographica Section E","2010","66","1","m68","","10.1107/S1600536809053471","","","0.71073","MoKα","","0.0946","0.068","","","0.1831","0.196","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225097","8.6373","0.0012","8.6373","0.0012","37.021","0.007","90","","90","","120","","2391.9","0.7","113","2","113","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","1-[4-(β-D-Allopyranosyloxy)benzylidene]semicarbazide hemihydrate","","- C14 H20 N3 O7.5 -","- C14 H20 N3 O7.5 -","- C84 H120 N18 O45 -","6","1","RZ2403","Chen, Hua-Feng; Bai, Xue; Zhang, Kuan; Li, Ying; Yin, Shu-Fan","1-[4-(β-<small>D</small>-Allopyranosyloxy)benzylidene]semicarbazide hemihydrate","Acta Crystallographica Section E","2010","66","2","o321","","10.1107/S1600536809055664","","","0.71073","MoKα","","0.0349","0.0331","","","0.0796","0.0847","","","","","","1.088","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226677","11.3972","0.0002","11.3972","0.0002","29.4265","0.0009","90","","90","","120","","3310.29","0.13","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","Tripyridinium <i>cis</i>-tetrachloridodioxidomolybdate(VI) chloride","","- C15 H18 Cl5 Mo N3 O2 -","- C15 H18 Cl5 Mo N3 O2 -","- C90 H108 Cl30 Mo6 N18 O12 -","6","1","SJ5018","Fernandes, José A.; Gomes, Ana C.; Figueiredo, Sónia; Gago, Sandra; Ribeiro-Claro, Paulo J. A.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","Tripyridinium <i>cis</i>-tetrachloridodioxidomolybdate(VI) chloride","Acta Crystallographica Section E","2010","66","7","m862","m863","10.1107/S1600536810023950","","","0.71073","MoKα","","0.0562","0.0375","","","0.0662","0.0735","","","","","","1.045","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229670","11.2794","0.0002","11.2794","0.0002","36.6986","0.0006","90","","90","","120","","4043.45","0.12","100","2","100","2","","","","","","","","3","P 31 2 1","P 31 2""","152","Epielemadienolic acid","3α-Hydroxytirucalla-8,24-dien-21-oic acid","","- C30 H48 O3 -","- C30 H48 O3 -","- C180 H288 O18 -","6","1","HB5815","Yousuf, S.; Kamdem, R. S. T.; Ngadjui, B. T.; Wafo, P.; Fun, Hoong-Kun","3α-Hydroxytirucalla-8,24-dien-21-oic acid","Acta Crystallographica Section E","2011","67","4","o937","o938","10.1107/S1600536811008956","","","1.54178","CuKα","","0.0388","0.0382","","","0.1029","0.1035","","","","","","0.97","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229827","11.2868","0.0009","11.2868","0.0009","36.446","0.003","90","","90","","120","","4020.9","0.6","100","2","100","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Triterpen","3α-Hydroxytirucalla-8,24-dien-21-oic acid‒ 3β-fluorotirucalla-7,24-dien-21-oic acid (0.897:0.103)","","- C30 H46.9 F0.1 O2.9 -","- C30 H46.898 F0.102 O2.898 -","- C180 H281.388 F0.612 O17.388 -","6","1","RZ2572","Yousuf, S.; Kamdem, R. S. T.; Wafo, P.; Ngadjui, B. T.; Fun, Hoong-Kun","A cocrystal of 3α-hydroxytirucalla-8,24-dien-21-oic acid and 3β-fluorotirucalla-7,24-dien-21-oic acid (0.897:0.103)","Acta Crystallographica Section E","2011","67","4","o1015","o1016","10.1107/S1600536811011159","","","0.71073","MoKα","","0.0598","0.0584","","","0.152","0.1528","","","","","","1.176","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2233257","9.0521","0.0013","9.0521","0.0013","52.47","0.011","90","","90","","120","","3723.4","1.1","188","2","188","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","<i>catena</i>-Poly[zinc-tris(μ-dimethylcarbamato-κ^2^<i>O</i>:<i>O</i>')- zinc-μ-(2-phenylbenzimidazolido-κ^2^<i>N</i>:<i>N</i>']","","- C22 H27 N5 O6 Zn2 -","- C22 H27 N5 O6 Zn2 -","- C132 H162 N30 O36 Zn12 -","6","1","NK2124","Rodriguez, Mark A.; Sava, Dorina F.; Nenoff, Tina M.","<i>catena</i>-Poly[zinc-tris(μ-dimethylcarbamato-κ^2^<i>O</i>:<i>O</i>')-zinc-μ-(2-phenylbenzimidazolido-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2012","68","1","m59","m60","10.1107/S1600536811053177","","","0.71073","MoKα","","0.0318","0.0287","","","0.0575","0.0586","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240741","14.6205","0.0005","14.6205","0.0005","20.2672","0.0006","90","","90","","120","","3751.9","0.2","123","2","123","2","","","","","","","","3","P 31 2 1","P 31 2""","152","pentane-1,5-diol","1,3,5-Tri-<i>p</i>-tolylpentane-1,5-diol","","- C26 H30 O2 -","- C26 H30 O2 -","- C156 H180 O12 -","6","1","SU2686","Thiruvalluvar, A.; Chithiravel, R.; Muthusubramanian, S.; Butcher, R. J.","1,3,5-Tri-<i>p</i>-tolylpentane-1,5-diol","Acta Crystallographica Section E","2014","70","2","o122","o123","10.1107/S160053681400018X","","","0.71073","MoKα","","0.0831","0.0677","","","0.1858","0.1934","","","","","","1.083","","","","has coordinates,has Fobs","136903","2020-10-21","18:00:00",""
"2242352","6.9065","0.0002","6.9065","0.0002","12.7802","0.0005","90","","90","","120","","527.94","0.03","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Potassium europium sulfate","Potassium europium(III) bis(sulfate) monohydrate","","- Eu K O9 S2 -","- Eu K O9 S2 -","- Eu3 K3 O27 S6 -","3","0.5","GW2157","Paul, Avijit Kumar","Synthesis and crystal structure of a new polymorph of potassium europium(III) bis(sulfate) monohydrate, KEu(SO~4~)~2~·H~2~O","Acta Crystallographica Section E","2018","74","2","242","245","10.1107/S2056989018000567","","","0.71073","MoKα","","0.0247","0.0237","","","0.058","0.0584","","","","","","1.069","","","","has coordinates,has Fobs","205874","2020-10-21","18:00:00",""
"2300365","4.989","0.0003","4.989","0.0003","5.6527","0.0003","90","","90","","120","","121.847","0.012","298","2","298","2","","","","","","","","2","P 31 2 1","P 31 2""","152","","","","- Ge O2 -","- Ge O2 -","- Ge3 O6 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0091","0.0088","","","0.0211","0.0211","","","","","","1.153","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300367","4.9805","0.0002","4.9805","0.0002","5.627","0.0003","90","","90","","120","","120.88","0.009","298","2","298","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Ge0.96 O2 Si0.04 -","- Ge0.96 O2 Si0.04 -","- Ge2.88 O6 Si0.12 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0099","0.0099","","","0.0241","0.0241","","","","","","1.199","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300369","4.9707","0.0003","4.9707","0.0003","5.5873","0.0003","90","","90","","120","","119.555","0.012","298","2","298","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Ge0.83 O2 Si0.17 -","- Ge0.83 O2 Si0.17 -","- Ge2.49 O6 Si0.51 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0101","0.01","","","0.0236","0.0236","","","","","","1.22","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2310626","4.873","","4.873","","10.94","","90","","90","","120","","224.978","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","N2 H4 H2 O","","- H6 N2 O -","- H6 N2 O -","- H18 N6 O3 -","3","0.5","","Liminga, R.; Olovsson, I.","The Crystal Structure of Hydrazine Monohydrate","Acta Crystallographica (1,1948-23,1967)","1964","17","12","1523","1528","10.1107/S0365110X64003802","","","","","","","","","","","","","","","","","","","","","has coordinates","189486","2020-10-21","18:00:00",""
"2310664","4.941","","4.941","","10.95","","90","","90","","120","","231.513","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Al P O4","","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Sharan, B.; Dutta, B.N.","Atomic Coordinates of Al P O4","Acta Crystallographica (1,1948-23,1967)","1964","17","","82","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310839","4.4572","","4.4572","","5.929","","90","","90","","120","","102.008","","","","","","","","","","","","","1","P 31 2 1","P 31 2""","152","","","","- Te -","- Te -","- Te3 -","3","0.5","","Cherin, P.; Unger, P.","Two-dimensional refinement of the crystal structure of tellurium","Acta Crystallographica (1,1948-23,1967)","1967","23","","670","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310968","5.927","","5.927","","6.707","","90","","90","","120","","204.046","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Ba Zn O2","","- Ba O2 Zn -","- Ba O2 Zn -","- Ba3 O6 Zn3 -","3","0.5","","Spitsbergen, U.","The Crystal Structures of Ba Zn O2, Ba Co O2 and Ba Mn O2","Acta Crystallographica (1,1948-23,1967)","1960","13","","197","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310969","5.85","","5.85","","6.73","","90","","90","","120","","199.461","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Ba Co O2 -","- Ba Co O2 -","- Ba3 Co3 O6 -","3","0.5","","Spitsbergen, U.","The Crystal Structures of Ba Zn O2, Ba Co O2 and Ba Mn O2","Acta Crystallographica (1,1948-23,1967)","1960","13","","197","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311983","10.5383","0.001","10.5383","0.001","26.135","0.003","90","","90","","120","","2513.6","0.4","200","2","200","","","","","","","","","6","P 31 2 1","P 31 2""","152","","<i>catena</i>-Poly[[tetrakis(pyridine-κ<i>N</i>)zinc(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'-[bis(pyridine-κ<i>N</i>)zinc(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","","- C30 H30 N6 O8 S2 Zn2 -","- C30 H30 N6 O8 S2 Zn2 -","- C90 H90 N18 O24 S6 Zn6 -","3","0.5","FN3254","Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R.","First-row transition metal-pyridine (py)-sulfate [(py)<sub>x</sub>M](SO<sub>4</sub>) complexes (M = Ni, Cu and Zn): crystal field theory in action.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","263","268","10.1107/S2053229618001547","","","0.71073","MoKα","","0.0196","0.0177","","","0.0445","0.0453","","","","","","1.005","","","","has coordinates","246228","2020-10-21","18:00:00",""
"4000381","16.182","0.003","16.182","0.003","4.2947","0.0012","90","","90","","120","","974","0.4","298","2","298","2","","","","","","","","4","P 31 2 1","P 31 2""","152","PhBPMe","4-Methyl-4-phenyl-bis[1,2,3]dithiazolo[4,5-b:5',4'-e]pyridin-yl","","- C12 H8 N3 S4 -","- C12 H8 N3 S4 -","- C36 H24 N9 S12 -","3","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm035191u","","","0.71073","MoKα","","0.0631","0.0363","","","0.0725","0.08","","","","","","1.065","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000499","7.0538","0.0005","7.0538","0.0005","12.9625","0.0014","90","","90","","120","","558.55","0.08","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H2 La Na O9 S2 -","- H2 La Na O9 S2 -","- H6 La3 Na3 O27 S6 -","3","0.5","","Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko","Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates","Chemistry of Materials","2005","17","10","2701","2706","10.1021/cm049451z","","","0.71073","MoKα","","0.0471","0.0362","","","0.0694","0.0722","","","","","","0.961","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000501","6.968","0.002","6.968","0.002","12.856","0.006","90","","90","","120","","540.6","0.4","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H2 Na Nd O9 S2 -","- H2 Na Nd O9 S2 -","- H6 Na3 Nd3 O27 S6 -","3","0.5","","Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko","Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates","Chemistry of Materials","2005","17","10","2701","2706","10.1021/cm049451z","","","0.71073","MoKα","","0.0379","0.0313","","","0.0542","0.0554","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000959","6.441","0.0004","6.441","0.0004","41.836","0.002","90","","90","","120","","1503.1","0.15","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Sodium uranoborate","","","- B10 Na O27 U2 -","- B10 Na O27 U2 -","- B30 Na3 O81 U6 -","3","0.5","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0411","0.0408","","","0.1023","0.1024","","","","","","1.1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002286","6.85625","","6.85625","","17.2504","","90","","90","","120","","702.268","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","(V0.29 Cr0.42) (V0.465 Cr0.535) S2","","- Cr0.955 S2 V0.755 -","- Cr0.955 S2 V0.755 -","- Cr11.46 S24 V9.06 -","12","2","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","141168","2020-10-21","18:00:00",""
"4002977","14.7769","0.0007","14.7769","0.0007","13.6748","0.0009","90","","90","","120","","2585.9","0.2","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C6 H24 Bi2 I10 N4 O2 -","- C6 H24 Bi2 I10 N4 O2 -","- C18 H72 Bi6 I30 N12 O6 -","3","0.5","","Pious, Johnpaul K.; Katre, Ankita; Muthu, Chinnadurai; Chakraborty, Sudip; Krishna, Swathi; Nair, Vijayakumar C.","Zero-Dimensional Lead-Free Hybrid Perovskite-like Material with a Quantum-Well Structure","Chemistry of Materials","2019","31","6","1941","","10.1021/acs.chemmater.8b04642","","","0.71073","MoKα","","0.0444","0.0319","","","0.065","0.0704","","","","","","1.043","","","","has coordinates","220401","2020-10-21","18:00:00",""
"4003219","24.4186","0.0005","24.4186","0.0005","55.4757","0.0011","90","","90","","120","","28646.7","1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C60 H48 In3 N12 O22 -","- C60 H42 In3 N12 O22 -","- C180 H126 In9 N36 O66 -","3","0.5","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.1078","0.0627","","","0.1506","0.1905","","","","","","0.899","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4024605","9.5948","0.0001","9.5948","0.0001","40.057","0.0009","90","","90","","120","","3193.6","0.09","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C138 H168 N12 O24 -","6","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.04","0.0344","","","0.0936","0.0964","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026238","10.6948","0.0003","10.6948","0.0003","40.1721","0.0013","90","","90","","120","","3979.2","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","(R)-1,1'-bis(methylsulfonyl)-2,2',5,5'-tetrahydro-1H,1'H- 11,11'-binaphtho[2,3-b]azepine#","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C180 H168 N12 O24 S12 -","6","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.0594","0.0451","","","0.1119","0.1185","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026699","5.983","0.0004","5.983","0.0004","46.449","0.004","90","","90","","120","","1439.94","0.18","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C66 H78 N6 O12 -","6","1","","Chengtang Du; Fulong Li; Xuefeng Zhang; Wenxiang Hu; Qizheng Yao; Ao Zhang","Lewis Acid Catalyzed Cyclization of Glycals/2-Deoxy-d-ribose with Arylamines: Additional Findings on Product Structure and Reaction Diastereoselectivity","Journal of Organic Chemistry","2011","76","","8833","8839","10.1021/jo2015483","","","0.71073","MoKα","","0.0587","0.0549","","","0.1451","0.1558","","","","","","1.309","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4027950","18.797","0.003","18.797","0.003","12.998","0.004","90","","90","","120","","3977.3","1.5","100","2","100","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C44 H68 F6 Fe N4 O8 S2 -","- C36 H48 F6 Fe N4 O6 S2 -","- C108 H144 F18 Fe3 N12 O18 S6 -","3","0.5","","Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas","Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts","Journal of Organic Chemistry","2013","78","","1421","1433","10.1021/jo302196q","","","0.71073","MoKα","","0.045","0.0406","","","0.1029","0.1044","","","","","","1.002","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4036165","9.1086","0.0002","9.1086","0.0002","29.0117","0.0008","90","","90","","120","","2084.52","0.09","223","2","223","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C72 H126 N6 O18 S6 -","6","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0415","0.0379","","","0.0951","0.0977","","","","","","1.036","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036379","9.51079","0.00004","9.51079","0.00004","44.3094","0.0002","90","","90","","120","","3471.04","0.03","100","2","100","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C26 H33 N3 O2 -","- C26 H33 N3 O2 -","- C156 H198 N18 O12 -","6","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","1.54184","CuKα","","0.0251","0.0248","","","0.0647","0.0651","","","","","","1.035","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036439","9.367","0.01","9.367","0.01","49.29","0.09","90","","90","","120","","3745","9","164","2","164","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C26 H26 N2 O8 -","- C26 H26 N2 O8 -","- C156 H156 N12 O48 -","6","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.121","0.099","","","0.1474","0.1607","","","","","","1.188","","","","has coordinates","234697","2020-10-21","18:00:00",""
"4063948","14.3828","0.0004","14.3828","0.0004","41.675","0.003","90","","90","","120","","7466.1","0.6","110","2","110","","","","","","","","synthesis as described","6","P 31 2 1","P 31 2""","152","","","","- C52 H48 Cl N2 P4 Ru -","- C52 H48 Cl N2 P4 Ru -","- C312 H288 Cl6 N12 P24 Ru6 -","6","1","","Dyer, Hellen; Picot, Alexandre; Vendier, Laure; Auffrant, Audrey; Le Floch, Pascal; Sabo-Etienne, Sylviane","Tridentate and Tetradentate Iminophosphorane-Based Ruthenium Complexes in Catalytic Transfer Hydrogenation of Ketones","Organometallics","2011","30","6","1478","","10.1021/om101058m","","","0.71073","MoKα","","0.0517","0.0482","","","0.1159","0.1175","","","","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064620","11.314","0.003","11.314","0.003","17.897","0.004","90","","90","","120","","1984","0.9","291","2","291","2","","","","","","","synthesis as described","6","P 31 2 1","P 31 2""","152","","","","- C32 H30 Cu Fe2 N2 O2 -","- C32 H30 Cu Fe2 N2 O2 -","- C96 H90 Cu3 Fe6 N6 O6 -","3","0.5","","Zhang, Xiang; Luck, Rudy L.; Fang, Shiyue","Ferrosalen and Ferrosalen-Type Ligands: Structural Modulation and Applications in Asymmetric Catalysis","Organometallics","2011","30","9","2609","","10.1021/om2002206","","x-ray","0.71073","MoKα","","0.1393","0.0554","","","0.0971","0.1175","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065679","11.8438","0.0006","11.8438","0.0006","34.4247","0.0019","90","","90","","120","","4182","0.4","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C49 H72 Cl4 N8 Zn4 -","- C49 H72 Cl4 N8 Zn4 -","- C147 H216 Cl12 N24 Zn12 -","3","0.5","","Gutschank, Benjamin; Schulz, Stephan; Westphal, Ulrich; Bläser, Dieter; Boese, Roland","Synthesis and X-ray Crystal Structures of Tetranuclear Zincamidinate Complexes","Organometallics","2010","29","9","2093","","10.1021/om100065w","","","0.71073","MoKα","","0.0322","0.0294","","","0.0756","0.0764","","","","","","1.097","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065680","11.969","0.0005","11.969","0.0005","34.481","0.0015","90","","90","","120","","4277.9","0.3","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C50 H72 Br4 N8 Zn4 -","- C50 H72 Br4 N8 Zn4 -","- C150 H216 Br12 N24 Zn12 -","3","0.5","","Gutschank, Benjamin; Schulz, Stephan; Westphal, Ulrich; Bläser, Dieter; Boese, Roland","Synthesis and X-ray Crystal Structures of Tetranuclear Zincamidinate Complexes","Organometallics","2010","29","9","2093","","10.1021/om100065w","","","0.71073","MoKα","","0.0415","0.0351","","","0.0781","0.0794","","","","","","1.016","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4072092","20.872","0.003","20.872","0.003","21.022","0.004","90","","90","","120","","7931","2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C57 H61 B Hf N6 -","- C57 H61 B Hf N6 -","- C342 H366 B6 Hf6 N36 -","6","1","","Lee, Han; Nienkemper, Katrin; Jordan, Richard F.","Synthesis and Reactivity of a Sterically Crowded Tris(pyrazolyl)borate Hafnium Benzyl Complex","Organometallics","2008","27","19","5075","","10.1021/om8005799","","","0.71073","MoKα","","0.033","0.0314","","","0.0808","0.0816","","","","","","1.092","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072144","24.6268","0.0015","24.6268","","11.061","0.0006","90","","90","","120","","5809.5","0.5","100","2","100","2","","","","","","","synthesis as described","6","P 31 2 1","P 31 2""","152","","","","- C42 H54 F24 N4 O10 Y2 -","- C42 H54 F24 N4 O10 Y2 -","- C126 H162 F72 N12 O30 Y6 -","3","0.5","","Grunova, Ekaterina; Kirillov, Evgueni; Roisnel, Thierry; Carpentier, Jean-François","Group 3 Metal Complexes of Salen-like Fluorous Dialkoxy−Diimino Ligands: Synthesis, Structure, and Application in Ring-Opening Polymerization ofrac-Lactide andrac-β-Butyrolactone","Organometallics","2008","27","21","5691","","10.1021/om800611c","","x-ray","0.71073","MoKα","","0.0843","0.0524","","","0.1152","0.1248","","","","","","0.944","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4075519","11.0103","0.0004","11.0103","0.0004","33.178","0.003","90","","90","","120","","3483.2","0.4","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C21 H39 O2 P2 Rh -","- C21 H39 O2 P2 Rh -","- C126 H234 O12 P12 Rh6 -","6","1","","Axtell, Alex T.; Klosin, Jerzy; Abboud, Khalil A.","Evaluation of Asymmetric Hydrogenation Ligands in Asymmetric Hydroformylation Reactions. Highly Enantioselective Ligands Based on Bis-phosphacycles","Organometallics","2006","25","21","5003","","10.1021/om060340e","","","0.71073","MoKα","","0.0304","0.027","","","0.0561","0.057","","","","","","1.063","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4078010","7.3108","0.0004","7.3108","0.0004","17.6876","0.0013","90","","90","","120","","818.71","0.09","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C8 H20 Al K -","- C8 H20 Al K -","- C24 H60 Al3 K3 -","3","0.5","","Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements","Organometallics","2012","31","8","3119","","10.1021/om300032c","","","0.71073","MoKα","","0.0229","0.0223","","","0.0558","0.0561","","","","","","1.173","","","","has coordinates","178669","2020-10-21","18:00:00",""
"4078683","8.529","0.003","8.529","0.003","18.948","0.005","90","","90","","120","","1193.7","0.7","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C17 H15 N O6 Zn -","- C17 H15 N O6 Zn -","- C51 H45 N3 O18 Zn3 -","3","0.5","","Petrus, Rafał; Sobota, Piotr","Zinc Complexes Supported by Maltolato Ligands: Synthesis, Structure, Solution Behavior, and Application in Ring-Opening Polymerization of Lactides","Organometallics","2012","31","13","4755","","10.1021/om300321h","","","0.71073","MoKα","","0.0361","0.0299","","","0.0648","0.0661","","","","","","1.008","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4079090","9.82","0.001","9.82","0.001","32.53","0.008","90","","90","","120","","2716.7","0.8","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","02082","","","- C26 H58 Mn O2 Si4 -","- C26 H58 Mn O2 Si4 -","- C78 H174 Mn3 O6 Si12 -","3","0.5","","Engerer, Laura K.; Carlson, Christin N.; Hanusa, Timothy P.; Brennessel, William W.; Young, Victor G.","σ- vs π-Bonding in Manganese(II) Allyl Complexes","Organometallics","2012","31","17","6131","","10.1021/om300478v","","","0.71073","MoKα","","0.0362","0.033","","","0.0833","0.0855","","","","","","1.004","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4080426","14.752","0.005","14.752","0.005","19.599","0.006","90","","90","","120","","3694","2","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C21 H29 Cl6 P Ru -","- C21 H25 Cl6 P Ru -","- C126 H150 Cl36 P6 Ru6 -","6","1","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","","0.71073","MoKα","","0.0718","0.0615","","","0.2076","0.2135","","","","","","1.145","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4082473","10.9606","0.0001","10.9606","0.0001","28.9827","0.0004","90","","90","","120","","3015.35","0.06","160","1","160","1","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C46 H46 F6 O8 Pd S2 -","- C38 H26 F6 O6 Pd S2 -","- C114 H78 F18 O18 Pd3 S6 -","3","0.5","","Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto","Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes","Organometallics","2014","33","3","627","","10.1021/om4000067","","","0.71073","MoKα","","0.0618","0.0494","","","0.1336","0.1399","","","","","","1.121","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082617","13.7376","0.0004","13.7376","0.0004","37.1695","0.0013","90","","90","","120","","6074.9","0.3","150","2","150","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C86 H118 N4 Si4 -","- C86 H118 N4 Si4 -","- C258 H354 N12 Si12 -","3","0.5","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Dearomatized BIAN Alkaline-Earth Alkyl Catalysts for the Intramolecular Hydroamination of Hindered Aminoalkenes","Organometallics","2014","33","1","206","","10.1021/om400955v","","","0.71073","MoKα","","0.1416","0.0684","","","0.112","0.1325","","","","","","1.015","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082981","11.8735","0.0005","11.8735","0.0005","21.5549","0.001","90","","90","","120","","2631.7","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C16 H16 Br2 Cu N4 -","- C16 H16 Br2 Cu N4 -","- C96 H96 Br12 Cu6 N24 -","6","1","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.71073","MoKα","","0.0398","0.0336","","","0.0582","0.061","","","","","","1.03","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4085151","11.1429","0.0005","11.1429","0.0005","47.384","0.004","90","","90","","120","","5095.2","0.5","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C34 H60 N2 Si2 V -","- C34 H60 N2 Si2 V -","- C204 H360 N12 Si12 V6 -","6","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0555","0.0521","","","0.1027","0.1041","","","","","","1.098","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085155","11.1701","0.0003","11.1701","0.0003","47.1697","0.0012","90","","90","","120","","5096.9","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C34 H60 Cr N2 Si2 -","- C34 H60 Cr N2 Si2 -","- C204 H360 Cr6 N12 Si12 -","6","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0404","0.0401","","","0.0858","0.086","","","","","","1.071","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4101632","18.174","0.003","18.174","0.003","49.125","0.01","90","","90","","120","","14052","4","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C62 H135 Mn0.5 Mo9 N5.5 O30 -","- C62 H135 Mn0.5 Mo9 N5.5 O30 -","- C372 H810 Mn3 Mo54 N33 O180 -","6","1","","Zhang, Jin; Hao, Jian; Wei, Yongge; Xiao, Fengping; Yin, Panchao; Wang, Longsheng","Nanoscale chiral rod-like molecular triads assembled from achiral polyoxometalates.","Journal of the American Chemical Society","2010","132","1","14","15","10.1021/ja907535g","","","0.71073","MoKα","","0.0845","0.0568","","","0.1275","0.1434","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102779","18.9573","0.0008","18.9573","0.0008","25.392","0.0009","90","","90","","120","","7902.8","0.5","173.1","","173.1","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C106 H102 Cl4 Cu2 O4 P4 -","- C106 H74 Cl4 Cu2 O4 P4 -","- C318 H222 Cl12 Cu6 O12 P12 -","3","0.5","","Gaku Hattori; Ken Sakata; Hiroshi Matsuzawa; Yoshiaki Tanabe; Yoshihiro Miyake; Yoshiaki Nishibayashi","Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates","Journal of the American Chemical Society","2010","132","","10592","10608","10.1021/ja1047494","","","0.71075","MoKα","","","0.0408","","","","0.0856","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103049","13.2807","0.0004","13.2807","0.0004","52.5695","0.0017","90","","90","","120","","8029.8","0.4","123","2","123","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C57.5 H62 N2 O2 Zn2 -","- C57.5 H62 N2 O2 Zn2 -","- C345 H372 N12 O12 Zn12 -","6","1","","Sefer Ay; R. E. Ziegert; H. Zhang; Martin Nieger; Kari Rissanen; K. Fink; A. Kubas; Ruth M. Gschwind; Stefan Bräse","NMR-Spectroscopic and Solid-State Investigations of Cometal-Free Asymmetric Conjugate Addition: A Dinuclear Paracyclophaneimine Zinc Methyl Complex","Journal of the American Chemical Society","2010","132","","12899","12905","10.1021/ja1032502","","","0.71073","MoKα","","0.0534","0.046","","","0.1149","0.12","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103891","11.366","0.01","11.366","0.01","29.309","0.027","90","","90","","120","","3279","5","173","2","173","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C38 H48 F12 Fe4 P2 Si2 -","- C38 H46 F12 Fe4 P2 Si2 -","- C114 H138 F36 Fe12 P6 Si6 -","3","0.5","","Masaaki Okazaki; Masato Takano; Fumiyuki Ozawa","Redox-Responsive Recombination of Carbon-Carbon Bonds on Flexible Tetrairon Cores","Journal of the American Chemical Society","2009","131","","1684","1685","10.1021/ja809540w","","x-ray","0.7107","MoKα","","0.0683","0.0608","","","0.1589","0.1663","","","","","","1.107","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103963","18.5023","0.001","18.5023","0.001","32.418","0.004","90","","90","","120","","9611","1.4","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C49 H67 Br N6 O9 -","- C49 H67 Br N6 O9 -","- C294 H402 Br6 N36 O54 -","6","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0853","0.0782","","","0.2047","0.2105","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104213","19.0721","0.001","19.0721","0.001","22.468","0.0007","90","","90","","120","","7077.7","0.6","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C44 H50 Al N4 O3 -","- C44 H45 Al N4 O3 -","- C264 H270 Al6 N24 O18 -","6","1","","Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński","Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","5393","5395","10.1021/ja8098867","","","0.71073","MoKα","","0.0953","0.0837","","","0.2185","0.2313","","","","","","1.046","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104214","19.1799","0.0012","19.1799","0.0012","22.436","0.0008","90","","90","","120","","7147.7","0.7","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C43 H53 Al N4 O3 -","- C43 H53 Al N4 O3 -","- C258 H318 Al6 N24 O18 -","6","1","","Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński","Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","5393","5395","10.1021/ja8098867","","","0.71073","MoKα","","0.1052","0.0853","","","0.2106","0.2216","","","","","","1.084","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104216","18.9541","0.0002","18.9541","0.0002","22.4362","0.0004","90","","90","","120","","6980.5","0.16","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C83 H92 Al2 Cl2 N8 O4 -","- C83 H92 Al2 Cl2 N8 O4 -","- C249 H276 Al6 Cl6 N24 O12 -","3","0.5","","Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński","Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","5393","5395","10.1021/ja8098867","","","0.71073","MoKα","","0.0893","0.074","","","0.1796","0.2079","","","","","","1.058","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4105722","11.3324","0.0004","11.3324","0.0004","42.768","0.004","90","","90","","120","","4756.6","0.5","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- As4 Bi3 Cl13 Hg8 -","- As4 Bi3 Cl13 Hg8 -","- As24 Bi18 Cl78 Hg48 -","6","1","","Xiao-Ming Jiang; Ming-Jian Zhang; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang","Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials","Journal of the American Chemical Society","2011","133","","3410","3418","10.1021/ja107921a","","","0.71073","MoKα","","0.0544","0.0499","","","0.1141","0.1179","","","","","","1.029","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4105739","9.3905","0.0012","9.3905","0.0012","36.349","0.005","90","","90","","120","","2775.9","0.6","103","2","103","2","","","","","","","","5","P 31 2 1","P 31 2""","152","GWA281","toste22","","- C19 H20 N2 O4 S -","- C19 H20 N2 O4 S -","- C114 H120 N12 O24 S6 -","6","1","","Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste","Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones","Journal of the American Chemical Society","2011","133","","3517","3527","10.1021/ja1095045","","","0.71073","MoKα","","0.0289","0.0266","","","0.0677","0.0692","","","","","","1.046","","","","has coordinates","278043","2022-09-21","13:11:05",""
"4107324","15.6682","0.0008","15.6682","0.0008","37.154","0.002","90","","90","","120","","7899","0.7","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C79 H102 Cl15 N15 O20 Zn -","- C79 H102 Cl15 N15 O20 Zn -","- C237 H306 Cl45 N45 O60 Zn3 -","3","0.5","","Hiroyuki Miyake; Hiroshi Kamon; Ikuko Miyahara; Hideki Sugimoto; Hiroshi Tsukube","Time-Programmed Peptide Helix Inversion of a Synthetic Metal Complex Triggered by an Achiral NO3- Anion","Journal of the American Chemical Society","2008","130","","792","793","10.1021/ja0768385","","","0.7107","MoKα","","0.1217","0.118","","","0.3496","0.3531","","","","","","1.66","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4108890","12.7624","0.0002","12.7624","0.0002","17.6291","0.0005","90","","90","","120","","2486.71","0.09","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H44 In N O10 -","- C24 H40 In N O8 -","- C72 H120 In3 N3 O24 -","3","0.5","","Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu","Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials","Journal of the American Chemical Society","2008","130","","17246","17247","10.1021/ja8075692","","","0.71073","MoKα","","0.0548","0.0495","","","0.1454","0.1514","","","","","","1.167","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108892","12.8708","0.0001","12.8708","0.0001","17.2433","0.0004","90","","90","","120","","2473.79","0.06","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25 H46 In N O11 -","- C25 H28 In N O10 -","- C75 H84 In3 N3 O30 -","3","0.5","","Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu","Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials","Journal of the American Chemical Society","2008","130","","17246","17247","10.1021/ja8075692","","","0.71073","MoKα","","0.0598","0.0513","","","0.1492","0.1542","","","","","","1.079","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108893","10.4498","0.0005","10.4498","0.0005","31.896","0.002","90","","90","","120","","3016.4","0.3","273","2","273","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C22 H16 Co N2 O4 -","- C22 H16 Co N2 O4 -","- C132 H96 Co6 N12 O24 -","6","1","","Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu","Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials","Journal of the American Chemical Society","2008","130","","17246","17247","10.1021/ja8075692","","","0.71073","MoKα","","0.0519","0.0457","","","0.1225","0.1261","","","","","","1.086","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108945","10.1296","0.0002","10.1296","0.0002","28.6766","0.001","90","","90","","120","","2548.25","0.11","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","3-1B","","","- C40 H46 Cl2 N2 O3 -","- C40 H46 Cl2 N2 O3 -","- C120 H138 Cl6 N6 O9 -","3","0.5","","Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran","Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach","Journal of the American Chemical Society","2008","130","","17938","17954","10.1021/ja806981k","","","1.54178","CuKα","","0.0344","0.0301","","","0.0647","0.0668","","","","","","1.021","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4109304","7.7393","0.0004","7.7393","0.0004","37.305","0.003","90","","90","","120","","1935.1","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H38 Cl2 Mo Si2 -","- C24 H38 Cl2 Mo Si2 -","- C72 H114 Cl6 Mo3 Si6 -","3","0.5","","Holger Braunschweig; Nele Buggisch; Ulli Englert; Melanie Homberger; Thomas Kupfer; Dirk Leusser; Matthias Lutz; Krzysztof Radacki","Dilithiation of Bis(benzene)molybdenum and Subsequent Isolation of a Molybdenum-Containing Paracyclophane","Journal of the American Chemical Society","2007","129","","4840","4846","10.1021/ja0692130","","","0.71073","MoKα","","0.0383","0.0325","","","0.0806","0.0822","","","","","","1.226","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109356","8.8625","0.0001","8.8625","0.0001","47.1249","0.0012","90","","90","","120","","3205.48","0.1","100","2","100","2","","","","","","","synthesis as described","3","P 31 2 1","P 31 2""","152","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C150 H156 O24 -","6","1","","Luca Bernardi; Jesús López-Cantarero; Barbara Niess; Karl Anker Jørgensen","Organocatalytic Asymmetric 1,6-Additions of β-Ketoesters and Glycine Imine","Journal of the American Chemical Society","2007","129","","5772","5778","10.1021/ja0707097","","x-ray","1.54178","CuKα","","0.0283","0.0266","","","0.0641","0.0649","","","","","","1.022","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4110253","7.2982","0.0005","7.2982","0.0005","19.0019","0.0016","90","","90","","120","","876.51","0.11","100","2","293","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- P2 Rb2 Se6 -","- P2 Rb2 Se6 -","- P6 Rb6 Se18 -","3","0.5","","In Chung; Christos D. Malliakas; Joon I. Jang; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis","Helical Polymer 1/\ιnfty[P2Se62-]: Strong Second Harmonic Generation Response and Phase-Change Properties of Its K and Rb Salts","Journal of the American Chemical Society","2007","129","","14996","15006","10.1021/ja075096c","","","0.71073","MoKα","","0.0474","0.0387","","","0.0456","0.047","","","","","","0.976","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110254","7.2746","0.0008","7.2746","0.0008","18.871","0.004","90","","90","","120","","864.9","0.2","298","2","298","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- K2 P2 Se6 -","- K2 P2 Se6 -","- K6 P6 Se18 -","3","0.5","","In Chung; Christos D. Malliakas; Joon I. Jang; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis","Helical Polymer 1/\ιnfty[P2Se62-]: Strong Second Harmonic Generation Response and Phase-Change Properties of Its K and Rb Salts","Journal of the American Chemical Society","2007","129","","14996","15006","10.1021/ja075096c","","","0.71073","MoKα","","0.0264","0.0234","","","0.0511","0.0524","","","","","","1.078","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4112171","8.0488","0.0011","8.0488","0.0011","30.552","0.006","90","","90","","120","","1714.1","0.5","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C15 H18 Mn2 N16 O -","- C15 H14 Mn2 N16 O -","- C45 H42 Mn6 N48 O3 -","3","0.5","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0802","0.0425","","","0.089","0.1018","","","","","","1.026","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4113688","8.0488","0.0011","8.0488","0.0011","30.552","0.006","90","","90","","120","","1714.1","0.5","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C15 H18 Mn2 N16 O -","- C15 H14 Mn2 N16 O -","- C45 H42 Mn6 N48 O3 -","3","0.5","","En-Qing Gao; Shi-Qiang Bai; Zhe-Ming Wang; Chun-Hua Yan","Two-Dimensional Homochiral Manganese(II)-Azido Frameworks Incorporating an Achiral Ligand: Partial Spontaneous Resolution and Weak Ferromagnetism","Journal of the American Chemical Society","2003","125","","4984","4985","10.1021/ja034129v","","","0.71073","MoKα","","0.0802","0.0425","","","0.089","0.1018","","","","","","1.026","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4114128","25.3192","0.0002","25.3192","0.0002","64.098","0.001","90","","90","","120","","35585.7","0.7","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C346 H555 Ba2 N97 O110 Si16 -","- C346 H535 Ba2 N97 O109.99 Si16 -","- C1038 H1605 Ba6 N291 O329.97 Si48 -","3","0.5","","Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis","Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes","Journal of the American Chemical Society","2003","125","","10830","10841","10.1021/ja035267n","","","0.71073","MoKα","","0.0944","0.0735","","","0.1984","0.2134","","","","","","1.063","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4115466","17.6048","0.0006","17.6048","0.0006","26.653","0.001","90","","90","","120","","7153.8","0.4","173.2","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C98 H80 As3 La O9 -","- C101 H68 As3 La O11 -","- C303 H204 As9 La3 O33 -","3","0.5","","Tetsuhiro Nemoto; Takashi Ohshima; Kentaro Yamaguchi; Masakatsu Shibasaki","Catalytic Asymmetric Epoxidation of Enones Using La-BINOL-Triphenylarsine Oxide Complex: Structural Determination of the Asymmetric Catalyst","Journal of the American Chemical Society","2001","123","","2725","2732","10.1021/ja004201e","","","0.7107","MoKα","","","0.0544","","","","0.082","","","","","","1.845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115645","7.225","0.0006","7.225","0.0006","16.438","0.002","90","","90","","120","","743.11","0.13","153","2","153","2","","","","","","","","7","P 31 2 1","P 31 2""","152","none","","","- C2 H4 F2 Mo0.5 N O2 Zn0.5 -","- C2 H4 F2 Mo0.5 N O2 Zn0.5 -","- C12 H24 F12 Mo3 N6 O12 Zn3 -","6","1","","Paul A. Maggard; Charlotte L. Stern; Kenneth R. Poeppelmeier","Understanding the Role of Helical Chains in the Formation of Noncentrosymmetric Solids","Journal of the American Chemical Society","2001","123","","7742","7743","10.1021/ja016055y","","","0.71073","MoKα","","0.0234","0.0229","","","0.0549","0.0556","","","","","","0.553","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115659","12.7255","0.001","12.7255","0.001","13.6945","0.0015","90","","90","","120","","1920.6","0.3","157","2","157","2","","","","","","","synthetic","7","P 31 2 1","P 31 2""","152","","","","- C6 H9 Fe N6 O4 Re6 Se8 -","- C6 Fe N6 O4 Re6 Se8 -","- C18 Fe3 N18 O12 Re18 Se24 -","3","0.5","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","","","0.71073","MoKα","","0.0773","0.0353","","0.0518","0.047","","","","0.84","0.959","0.959","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4116779","20.0467","0.0001","20.0467","0.0001","29.9368","0.0005","90","","90","","120","","10418.9","0.19","193","2","193","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C60 H84 Cl7 Co N6 O14 -","- C60 H74 Cl7 Co N6 O14 -","- C360 H444 Cl42 Co6 N36 O84 -","6","1","","Jean-Pierre Simonato; Jacques Pécaut; Jean-Claude Marchon","Kinetic and Structural Factors Governing Chiral Recognition in Cobalt(III) Chiroporphyrin-Amino Alcohol Complexes","Journal of the American Chemical Society","1998","120","","7363","7364","10.1021/ja980644v","","","0.71073","MoKα","","0.0849","0.0707","","0.2055","0.1876","","","","1.096","1.085","1.085","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4118977","10.1906","0.0018","10.1906","0.0018","17.991","0.003","90","","90","","120","","1618","0.5","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C32 H20 B N -","- C32 H20 B N -","- C96 H60 B3 N3 -","3","0.5","","Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura","Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality","Journal of the American Chemical Society","2012","134","","19600","19603","10.1021/ja310372f","","","0.7107","MoKα","","0.0665","0.0588","","","0.1492","0.1541","","","","","","1.086","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4124932","15.3555","0.0015","15.3555","0.0015","30.769","0.003","90","","90","","120","","6283.1","1.1","193","2","193","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C84 H132 N6 O5 P2 Si4 -","- C84 H132 N6 O5 P2 Si4 -","- C252 H396 N18 O15 P6 Si12 -","3","0.5","","Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.","Journal of the American Chemical Society","2016","138","9","2965","2968","10.1021/jacs.6b00631","","","0.71073","MoKα","","0.0809","0.066","","","0.1561","0.1649","","","","","","1.066","","","","has coordinates,has disorder","181436","2020-10-21","18:00:00",""
"4125018","11.7388","0.0001","11.7388","0.0001","27.4082","0.0004","90","","90","","120","","3270.83","0.06","123","2","123","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H20 F N5 O4 -","- C24 H20 F N5 O4 -","- C144 H120 F6 N30 O24 -","6","1","","Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T.","Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2016","138","14","4818","4823","10.1021/jacs.6b00207","","","1.54178","CuKα","","0.039","0.0382","","","0.0952","0.0961","","","","","","1.051","","","","has coordinates,has disorder","182503","2020-10-21","18:00:00",""
"4126284","21.4759","0.0011","21.4759","0.0011","6.8613","0.0004","90","","90","","120","","2740.6","0.3","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(mm-2)1.83","","","- C21.32 H27.96 N3.66 O6 Zn2 -","- C21.28 H27.84 N3.82 O6 Zn2 -","- C63.84 H83.52 N11.46 O18 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.7749","synchrotron","","0.0482","0.0414","","","0.1337","0.1368","","","","","","1.102","","","","has coordinates,has disorder","198805","2020-10-21","18:00:00",""
"4126287","21.7573","0.0008","21.7573","0.0008","6.9089","0.0003","90","","90","","120","","2832.37","0.19","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(e-2-e)1.26","","","- C21.56 H26.16 N2.52 O6 Zn2 -","- C21.536 H26.068 N3.256 O6 Zn2 -","- C64.608 H78.204 N9.768 O18 Zn6 -","3","0.5","","Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.","Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05858","","","0.7293","synchrotron","","0.0496","0.0478","","","0.1343","0.1355","","","","","","1.163","","","","has coordinates,has disorder","198808","2020-10-21","18:00:00",""
"4126400","21.4559","0.0007","21.4559","0.0007","6.7954","0.0003","90","","90","","120","","2709.19","0.17","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(dmpn)1.3","","","- C20.5 H24.2 N2.6 O6 Zn2 -","- C20.5 H25.58 N3.3 O6 Zn2 -","- C61.5 H76.74 N9.9 O18 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.7749","synchrotron","","0.1","0.0955","","","0.2221","0.224","","","","","","1.303","","","","has coordinates,has disorder","200892","2020-10-21","18:00:00",""
"4126402","21.527","0.002","21.527","0.002","6.8199","0.0008","90","","90","","120","","2737","0.5","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(mpn)1.758(C7H8)0.622","","","- C25.39 H32.07 N3.52 O6 Zn2 -","- C25.386 H32.072 N3.758 O6 Zn2 -","- C76.158 H96.216 N11.274 O18 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.7749","synchrotron","","0.0583","0.0574","","","0.1414","0.1418","","","","","","1.238","","","","has coordinates,has disorder","200894","2020-10-21","18:00:00",""
"4126403","21.3008","0.0009","21.3008","0.0009","6.877","0.0003","90","","90","","120","","2702.2","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(dmen)0.976(dmen-CO2)0.758","","","- C21.91 H26.82 N3.47 O7.95 Zn2 -","- C21.912 H26.816 N3.468 O7.952 Zn2 -","- C65.736 H80.448 N10.404 O23.856 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.7749","synchrotron","","0.075","0.0728","","","0.1762","0.1775","","","","","","1.215","","","","has coordinates,has disorder","200895","2020-10-21","18:00:00",""
"4126404","21.4217","0.0008","21.4217","0.0008","6.8386","0.0003","90","","90","","120","","2717.73","0.19","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(dmen)1.61-(H2O)0.70","","","- C20.44 H26.72 N3.22 O6.7 Zn2 -","- C20.44 H25.316 N3.61 O6.7 Zn2 -","- C61.32 H75.948 N10.83 O20.1 Zn6 -","3","0.5","","Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.; Gonzalez, Miguel I.; Runčevski, Tomče; Martell, Jeffrey D.; Reimer, Jeffrey A.; Long, Jeffrey R.","A Diaminopropane-Appended Metal‒Organic Framework Enabling Efficient CO2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07612","","","0.8856","synchrotron","","0.0588","0.0511","","","0.1359","0.1401","","","","","","1.106","","","","has coordinates,has disorder","200896","2020-10-21","18:00:00",""
"4127080","21.64","0.002","21.64","0.002","6.7928","0.0008","90","","90","","120","","2754.8","0.5","298","2","298","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(CO2)1.26","","","- C15.23 H6 O8.46 Zn2 -","- C15.262 H6 O8.524 Zn2 -","- C45.786 H18 O25.572 Zn6 -","3","0.5","","Forse, Alexander C.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Witherspoon, Velencia J.; Jawahery, Sudi; Mercado, Rocio; Milner, Phillip J.; Martell, Jeffrey D.; Smit, Berend; Blümich, Bernhard; Long, Jeffrey R.; Reimer, Jeffrey A.","Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc).","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09453","","","0.7749","synchrotron","","0.0356","0.0307","","","0.07","0.0719","","","","","","1.108","","","","has coordinates,has disorder","205584","2020-10-21","18:00:00",""
"4127081","21.657","0.002","21.657","0.002","6.7666","0.0007","90","","90","","120","","2748.5","0.5","298","2","298","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Zn2(dobpdc)","","","- C14 H6 O6 Zn2 -","- C14 H6 O6 Zn2 -","- C42 H18 O18 Zn6 -","3","0.5","","Forse, Alexander C.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Witherspoon, Velencia J.; Jawahery, Sudi; Mercado, Rocio; Milner, Phillip J.; Martell, Jeffrey D.; Smit, Berend; Blümich, Bernhard; Long, Jeffrey R.; Reimer, Jeffrey A.","Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc).","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09453","","","0.7749","synchrotron","","0.0413","0.0328","","","0.0754","0.0788","","","","","","1.098","","","","has coordinates","205585","2020-10-21","18:00:00",""
"4127847","21.4691","0.0005","21.4691","0.0005","6.848","0.0002","90","","90","","120","","2733.52","0.12","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(2-ampd)1.76(C7H8)0.79","","","- C30.09 H36.96 N3.52 O6 Zn2 -","- C30.069 H39.297 N3.76 O6 Zn2 -","- C90.207 H117.891 N11.28 O18 Zn6 -","3","0.5","","Siegelman, Rebecca L.; Milner, Phillip J.; Forse, Alexander C.; Lee, Jung-Hoon; Colwell, Kristen A.; Neaton, Jeffrey B.; Reimer, Jeffrey A.; Weston, Simon C.; Long, Jeffrey R.","Water Enables Efficient CO<sub>2</sub> Capture from Natural Gas Flue Emissions in an Oxidation-Resistant Diamine-Appended Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","33","13171","13186","10.1021/jacs.9b05567","","","0.7288","synchrotron","","0.0474","0.0371","","","0.0915","0.0973","","","","","","1.061","","","","has coordinates,has disorder","221018","2020-10-21","18:00:00",""
"4128139","8.4206","0.0002","8.4206","0.0002","13.1696","0.0003","90","","90","","120","","808.7","0.03","120","2","120","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C10 H14 Fe N4 -","- C10 H14 Fe N4 -","- C30 H42 Fe3 N12 -","3","0.5","","López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo","Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8.","Journal of the American Chemical Society","2019","141","17","7173","7180","10.1021/jacs.9b02686","","x-ray","0.71073","MoKα","","0.0299","0.0266","","","0.0493","0.0513","","","","","","1.109","","","","has coordinates","221265","2020-10-21","18:00:00",""
"4128366","18.5092","0.0002","18.5092","0.0002","12.7134","0.0001","90","","90","","120","","3771.96","0.06","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C21 H26 B Br2 N O2 -","- C21 H26 B Br2 N O2 -","- C126 H156 B6 Br12 N6 O12 -","6","1","","Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ?","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp<sup>2</sup>)-H Borylation of Diarylmethylamines.","Journal of the American Chemical Society","2019","141","13","5334","5342","10.1021/jacs.8b13756","","x-ray","1.54184","CuKα","","0.0509","0.0488","","","0.1487","0.1518","","","","","","1.1","","","","has coordinates","221489","2020-10-21","18:00:00",""
"4131508","9.401","0.003","9.401","0.003","22.513","0.008","90","","90","","120","","1723.1","1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C6 H14 Cl3 N2 Rb -","- C6 H14 Cl3 N2 Rb -","- C36 H84 Cl18 N12 Rb6 -","6","1","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0517","0.0349","","","0.074","0.0809","","","","","","1.016","","","","has coordinates","241699","2020-10-21","18:00:00",""
"4300144","7.0433","0.0014","7.0433","0.0014","34.011","0.008","90","","90","","120","","1461.2","0.5","150","2","150","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C23 H32 N2 S -","- C23 H32 N2 S -","- C69 H96 N6 S3 -","3","0.5","","Jinkun Huang; Hans-Jörg Schanz; E. D. Stevens; Steven P. Nolan; Kenneth B. Capps; Andreas Bauer; Carl D. Hoff","Structural and Solution Calorimetric Studies of Sulfur Binding to Nucleophilic Carbenes","Inorganic Chemistry","2000","39","","1042","1045","10.1021/ic990906+","","","","","","","","","","","","","","","","","","","","","has coordinates","179039","2020-10-21","18:00:00",""
"4300657","25.164","0.004","25.164","0.004","29.389","0.006","90","","90","","120","","16117","5","173","2","173","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C86.5 H80 Ba K N3 O P6 -","- C86.5 H80 Ba K N3 O P6 -","- C519 H480 Ba6 K6 N18 O6 P36 -","6","1","","Roesky, Peter W.","","Inorganic Chemistry","2006","","","","","10.1021/ic051738q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307783","16.0165","0.0005","16.0165","0.0005","18.6084","0.0011","90","","90","","120","","4134","0.3","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C20 H38.5 N8 Ni2 O1.25 -","- C20 H38.505 N8 Ni2 O1.25 -","- C120 H231.03 N48 Ni12 O7.5 -","6","1","","Long Jiang; Xiao-Long Feng; Cheng-Yong Su; Xiao-Ming Chen; Tong-Bu Lu","Interchain-Solvent-Induced Chirality Change of 1D Helical Chains: From Achiral to Chiral Crystallization","Inorganic Chemistry","2007","46","","2637","2644","10.1021/ic062272u","","","0.71073","MoKα","","0.029","0.0287","","","0.0773","0.0775","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308146","20.3314","0.0009","20.3314","0.0009","33.39","0.003","90","","90","","120","","11953.1","1.3","173","2","173","2","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C20 H161 Fe6 K9 N8 O162 Si3 W30 -","- C16 H44 Fe6 K9 N6 O162 Si3 W30 -","- C48 H132 Fe18 K27 N18 O486 Si9 W90 -","3","0.5","","Bogdan Botar; Paul Kögerler; Craig L. Hill","Tetrairon and Hexairon Hydroxo/Acetato Clusters Stabilized by Multiple Polyoxometalate Scaffolds. Structures, Magnetic Properties, and Chemistry of a Dimer and a Trimer","Inorganic Chemistry","2007","46","","5398","5403","10.1021/ic070126y","","","0.71073","MoKα","","0.0575","0.0557","","","0.1317","0.1323","","","","","","1.293","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308229","27.215","0.01","27.215","0.01","14.548","0.008","90","","90","","120","","9331","7","200","2","200","2","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C36 H160 Cl2 Co4 N20 O56 Pt2 S6 -","- C36 H88 Cl2 Co4 N20 O56 Pt2 S6 -","- C108 H264 Cl6 Co12 N60 O168 Pt6 S18 -","3","0.5","","Zentaro Matsumoto; Takashi Aridomi; Asako Igashira-Kamiyama; Tatsuya Kawamoto; Takumi Konno","Proton-Induced Cis-Trans Conversion of a Platinum(II) Center Coordinated by l-Cysteinatocobalt(III) Metalloligands","Inorganic Chemistry","2007","46","","2968","2970","10.1021/ic070265f","","","0.71075","MoKα","","0.0575","0.0421","","","0.1071","0.1089","","","","","","0.964","","","","has coordinates,has disorder","179120","2020-10-21","18:00:00",""
"4308279","9.1845","0.0003","9.1845","0.0003","30.6806","0.0012","90","","90","","120","","2241.33","0.14","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C28 H40 F6 N4 Ni P -","- C28 H40 F6 N4 Ni P -","- C84 H120 F18 N12 Ni3 P3 -","3","0.5","","Nicoleta Muresan; Krzysztof Chlopek; Thomas Weyhermüller; Frank Neese; Karl Wieghardt","Bis(α-diimine)nickel Complexes: Molecular and Electronic Structure of Three Members of the Electron-Transfer Series [Ni(L)2]z (z= 0, 1+, 2+) (L = 2-Phenyl-1,4-bis(isopropyl)-1,4-diazabutadiene). A Combined Experimental and Theoretical Study","Inorganic Chemistry","2007","46","","5327","5337","10.1021/ic700407m","","","0.71073","MoKα","","0.0632","0.0536","","","0.1197","0.125","","","","","","1.081","","","","has coordinates,has disorder","179120","2020-10-21","18:00:00",""
"4311720","18.5934","0.0007","18.5934","0.0007","16.2207","0.0012","90","","90","","120","","4856.4","0.4","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C52 H38 Cu2 N6 O8 S2 -","- C52 H38 Cu2 N6 O8 S2 -","- C156 H114 Cu6 N18 O24 S6 -","3","0.5","","Shane G. Telfer; Tomohiro Sato; Takunori Harada; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff","Mono- and Dinuclear Complexes of Chiral Tri- and Tetradentate Schiff-Base Ligands Derived from 1,1'-Binaphthyl-2,2'-diamine","Inorganic Chemistry","2004","43","","6168","6176","10.1021/ic049910y","","","0.71073","MoKα","","0.0485","0.0443","","","0.1079","0.11","","","","","","1.047","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4312229","13.2566","0.0019","13.2566","0.0019","23.143","0.005","90","","90","","120","","3522.2","1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","iPrLXanTi2(NMe2)6","","","- C41 H76 N10 O Ti2 -","- C41 H76 N10 O Ti2 -","- C123 H228 N30 O3 Ti6 -","3","0.5","","Michael J. McNevin; John R. Hagadorn","Dititanium Complexes of Preorganized Binucleating Bis(amidinates)","Inorganic Chemistry","2004","43","","8547","8554","10.1021/ic0488841","","","0.71073","MoKα","","0.0534","0.0452","","","0.1154","0.1215","","","","","","1.021","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312503","10.9923","0.0004","10.9923","0.0004","32.2489","0.0012","90","","90","","120","","3374.6","0.2","150","1","150","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H30 Cu N6 O7 -","- C18 H30 Cu N6 O7 -","- C108 H180 Cu6 N36 O42 -","6","1","","Patrick Deschamps; Prasad P. Kulkarni; Bibudhendra Sarkar","The Crystal Structure of a Novel Copper(II) Complex with Asymmetric Ligand Derived from l-Histidine","Inorganic Chemistry","2003","42","","7366","7368","10.1021/ic034760x","","","0.71073","MoKα","","0.0758","0.0463","","","0.0938","0.1031","","","","","","1.022","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4315754","15.2038","0.0003","15.2038","0.0003","19.1083","0.0004","90","","90","","120","","3825.22","0.13","173","2","173","2","","","","","","","synthesis as described","6","P 31 2 1","P 31 2""","152","VL23 (CHCl3/Et2O)","","","- C54 H66 Au Cl O4 Sb2 -","- C54 H66 Au Cl O4 Sb2 -","- C162 H198 Au3 Cl3 O12 Sb6 -","3","0.5","","Vilma R. Bojan; Eduardo J. Fernández; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Raquel C. Puelles; Cristian Silvestru","Study of the Coordination Abilities of Stibine Ligands to Gold(I)","Inorganic Chemistry","2010","49","","5530","5541","10.1021/ic1003484","","x-ray","0.71073","MoKα","","0.0561","0.0389","","","0.0604","0.0647","","","","","","1.035","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4315756","15.574","0.008","15.574","0.008","20.34","0.02","90","","90","","120","","4272","5","297","2","297","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H66 Au F6 Sb3 -","- C54 H66 Au F6 Sb3 -","- C162 H198 Au3 F18 Sb9 -","3","0.5","","Vilma R. Bojan; Eduardo J. Fernández; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Raquel C. Puelles; Cristian Silvestru","Study of the Coordination Abilities of Stibine Ligands to Gold(I)","Inorganic Chemistry","2010","49","","5530","5541","10.1021/ic1003484","","","0.71073","MoKα","","0.0822","0.0772","","","0.1525","0.1546","","","","","","1.323","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316850","10.2694","0.0003","10.2694","0.0003","46.786","0.0014","90","","90","","120","","4273","0.2","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","compound 1","","","- C30 H50 N2 Si -","- C30 H50 N2 Si -","- C180 H300 N12 Si6 -","6","1","","S. M. Ibrahim Al-Rafia; Paul A. Lummis; Michael J. Ferguson; Robert McDonald; Eric Rivard","Low-Coordinate Germylene and Stannylene Heterocycles featuring Sterically Tunable Bis(amido)silyl Ligands","Inorganic Chemistry","2010","49","","9709","9717","10.1021/ic101485a","","","0.71073","MoKα","","0.0342","0.0331","","","0.0886","0.0894","","","","","","1.13","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4322014","9.736","0.001","9.736","0.001","16.75","0.001","90","","90","","120","","1375","0.2","205","2","205","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","Bis(tricyclo(5.2.1.0^2.6^)deca-2,4-dienyl)chromium(III) hexafluorophosphat","","- C20 H22 Cr F6 P -","- C20 H22 Cr F6 P -","- C60 H66 Cr3 F18 P3 -","3","0.5","","Irene Gattinger; Martin A. Herker; Wolfgang Hiller; Frank H. Köhler","Fusing Rigid Spin Probes to Paramagnetic Sandwiches. Synthesis, Crystal Structures, and NMR Spectroscopy of Bis(isodicyclopentadienyl)metal Compounds","Inorganic Chemistry","1999","38","","2359","2368","10.1021/ic9812407","","","0.71073","MoKα","","0.0563","0.0548","","0.1523","0.1505","","","","1.043","1.047","1.047","","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322015","9.708","0.001","9.708","0.001","16.566","0.002","90","","90","","120","","1352.1","0.3","199","2","199","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","Bis(tricyclo(5.2.1.0^2.6^)deca-2,4-dienyl)iron(III) hexafluorophosphat","","- C20 H22 F6 Fe P -","- C20 H22 F6 Fe P -","- C60 H66 F18 Fe3 P3 -","3","0.5","","Irene Gattinger; Martin A. Herker; Wolfgang Hiller; Frank H. Köhler","Fusing Rigid Spin Probes to Paramagnetic Sandwiches. Synthesis, Crystal Structures, and NMR Spectroscopy of Bis(isodicyclopentadienyl)metal Compounds","Inorganic Chemistry","1999","38","","2359","2368","10.1021/ic9812407","","","0.71073","MoKα","","0.0456","0.0439","","0.1256","0.1239","","","","1.08","1.086","1.086","","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322534","8.616","0.0001","8.616","0.0001","28.5731","0.0001","90","","90","","120","","1836.96","0.03","131","2","131","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C24 H28 Cl2 N2 O2 Zr -","- C24 H28 Cl2 N2 O2 Zr -","- C72 H84 Cl6 N6 O6 Zr3 -","3","0.5","","Lena Kakaliou; Scanlon; Baixin Qian; Sung W. Baek; Milton R. Smith; Douglas H. Motry","Five- and Six-Coordinate Group 4 Compounds Stabilized by β-Ketiminate and Diketiminate Ligands: Syntheses and Comparisons between Solid-State and Solution Structures","Inorganic Chemistry","1999","38","","5964","5977","10.1021/ic981364j","","","0.71073","MoKα","","0.0177","0.0172","","0.0447","0.0446","","","","1.168","1.173","1.173","","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322635","12.106","0.001","12.106","0.001","10.786","0.001","90","","90","","120","","1369","0.2","238","2","238","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C4 H10 Cl8 Se2 Ti2 -","- C4 H10 Cl8 Se2 Ti2 -","- C12 H30 Cl24 Se6 Ti6 -","3","0.5","","Peggy J. McKarns; T. Suren Lewkebandara; Glenn P. A. Yap; Louise M. Liable-Sands; Arnold L. Rheingold; Charles H. Winter","Adducts of Titanium Tetrachloride with Alkylselenium Compounds: Molecular Precursors to Titanium Diselenide Films","Inorganic Chemistry","1998","37","","418","424","10.1021/ic970945q","","","0.71073","MoKα","","0.0438","0.0378","","0.0895","0.0885","","","","1.271","1.34","1.34","","","","","has coordinates","179329","2020-10-21","18:00:00",""
"4324085","4.739","0.0005","4.739","0.0005","5.1875","0.0008","90","","90","","120","","100.89","0.02","100","2","100","2","","","","","","","synthetic","2","P 31 2 1","P 31 2""","152","","","","- Be F2 -","- Be F2 -","- Be3 F6 -","3","0.5","","Ghalsasi, Pallavi; Ghalsasi, Prasanna S.","Single Crystal X-Ray Structure of BeF2: α-Quartz","Inorganic Chemistry","2011","50","1","86","89","10.1021/ic101248g","","","0.71073","MoKα","","0.0187","0.0186","","","0.0409","0.041","","","","","","1.141","","","","has coordinates","210951","2020-10-21","18:00:00",""
"4324644","6.9313","0.0006","6.9313","0.0006","26.799","0.003","90","","90","","120","","1115.01","0.18","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- B7 Cs3 Li4 O14 -","- B7 Cs3 Li4 O14 -","- B21 Cs9 Li12 O42 -","3","0.5","","Yun Yang; Shilie Pan; Hongyi Li; Jian Han; Zhaohui Chen; Wenwu Zhao; Zhongxiang Zhou","Li4Cs3B7O14: Synthesis, Crystal Structure, and Optical Properties","Inorganic Chemistry","2011","50","","2415","2419","10.1021/ic102214q","","","0.71073","MoKα","","0.055","0.0403","","","0.0704","0.0735","","","","","","0.99","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324924","19.0525","0.0017","19.0525","0.0017","18.1522","0.0015","90","","90","","120","","5706.4","0.9","123","2","123","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C42 H90 Cl2 N10 Ni2 O12 S2 -","- C42 H90 Cl2 N10 Ni2 O12 S2 -","- C126 H270 Cl6 N30 Ni6 O36 S6 -","3","0.5","","Huan-Yong Li; Long Jiang; Hua Xiang; Trevor A. Makal; Hong-Cai Zhou; Tong-Bu Lu","Construction of Two 3D Homochiral Frameworks with 1D Chiral Pores via Chiral Recognition","Inorganic Chemistry","2011","50","","3177","3179","10.1021/ic200264s","","","1.54178","CuKα","","0.1426","0.0894","","","0.2024","0.2183","","","","","","1.061","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4325899","15.251","0.003","15.251","0.003","48.494","0.019","90","","90","","120","","9768","5","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C45 H76 Ce Cu5 N13 O32 -","- C45 H50 Ce Cu5 N13 O32 -","- C270 H300 Ce6 Cu30 N78 O192 -","6","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0655","0.0617","","","0.1331","0.1347","","","","","","1.25","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325900","15.2231","0.0008","15.2231","0.0008","48.402","0.006","90","","90","","120","","9714","1.4","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C90 H154 Cu10 N24 O61 Pr2 -","- C90 H100 Cu10 N24 O61 Pr2 -","- C270 H300 Cu30 N72 O183 Pr6 -","3","0.5","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0546","0.0462","","","0.1152","0.1193","","","","","","1.037","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4327236","10.775","0.0015","10.775","0.0015","27.882","0.006","90","","90","","120","","2803.4","0.8","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C22 H46 N11 O17 Yb -","- C22 H46 N11 O17 Yb -","- C66 H138 N33 O51 Yb3 -","3","0.5","","Jeff Vipond; Mark Woods; Piyu Zhao; Gyula Tircsó; Jimin Ren; Simon G. Bott; Doug Ogrin; Garry E. Kiefer; Zoltan Kovacs; A. Dean Sherry","A Bridge to Coordination Isomer Selection in Lanthanide(III) DOTA-tetraamide Complexes","Inorganic Chemistry","2007","46","","2584","2595","10.1021/ic062184+","","","0.71073","MoKα","","0.0263","0.0235","","0.0519","0.0496","","","","1.125","1.101","1.101","","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327695","11.8878","0.0004","11.8878","0.0004","29.3193","0.0015","90","","90","","120","","3588.3","0.3","173","2","173","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C18 H26 Cl3 F3 O4 Pt2 S -","- C18 H24 Cl3 F3 O4 Pt2 S -","- C108 H144 Cl18 F18 O24 Pt12 S6 -","6","1","","Hui Shan; Alan James; Paul R. Sharp","Platinum(II) 1,5-COD Oxo Complexes","Inorganic Chemistry","1998","37","","5727","5732","10.1021/ic980818+","","","0.7107","MoKα","","0.0472","0.0421","","0.098","0.0959","","","","1.044","1.071","1.071","","","","","has coordinates,has disorder","179379","2020-10-21","18:00:00",""
"4327984","13.1432","0.0012","13.1432","0.0012","19.6099","0.0018","90","","90","","120","","2933.6","0.5","150","","150","","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C5.25 H9 Cl3 N0.75 Na0.75 O1.12 Ru0.75 S0.75 -","- C5.25 H9 Cl3 N0.75 Na0.75 O1.125 Ru0.75 S0.75 -","- C42 H72 Cl24 N6 Na6 O9 Ru6 S6 -","8","1.33333","","Michael I. Webb; Ryan A. Chard; Yaser M. Al-Jobory; Michael R. Jones; Edwin W. Y. Wong; Charles J. Walsby","Pyridine Analogues of the Antimetastatic Ru(III) Complex NAMI-A Targeting Non-Covalent Interactions with Albumin","Inorganic Chemistry","2012","51","","954","966","10.1021/ic202029e","","","0.71073","MoKα","","0.0819","0.0659","","0.0807","0.0677","0.0663","","","","","","1.0358","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4328475","25.525","0.0003","25.525","0.0003","27.9532","0.0005","90","","90","","120","","15772.3","0.4","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C39.5 H103 Cl9 Mn5.6 N12 Se13 Zn8.4 -","- C39.5 H102 Cl9 Mn5.6 N12 Se13 Zn8.4 -","- C237 H612 Cl54 Mn33.6 N72 Se78 Zn50.4 -","6","1","","Chhatra B. Khadka; Andreas Eichhöfer; Florian Weigend; John F. Corrigan","Zinc Chalcogenolate Complexes as Precursors to ZnE and Mn/ZnE (E = S, Se) Clusters","Inorganic Chemistry","2012","51","","2747","2756","10.1021/ic200307g","","","0.71073","MoKα","","0.1254","0.0625","","","0.1553","0.1864","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4328715","15.729","0.002","15.729","0.002","12.403","0.003","90","","90","","120","","2657.4","0.8","173","2","173","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C22 H20 F6 N12 O6 S2 Zn -","- C21.996 H20 F6 N12 O6 S2 Zn -","- C65.988 H60 F18 N36 O18 S6 Zn3 -","3","0.5","","Jin-Cheng Wu; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Structural Diversity in Coordination Self-Assembled Networks of a Multimodal Ligand Azacalix[4]pyrazine","Inorganic Chemistry","2012","51","","3860","3867","10.1021/ic3000679","","","0.71073","MoKα","","0.0537","0.0528","","","0.1245","0.1251","","","","","","1.169","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4332463","11.2698","0.0003","11.2698","0.0003","27.7328","0.0007","90","","90","","120","","3050.4","0.14","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C37 H49 B2 Mn2 N7 O10 -","- C37 H43 B2 Mn2 N7 O10 -","- C111 H129 B6 Mn6 N21 O30 -","3","0.5","","Khanra, Sumit; Weyhermüller, Thomas; Bill, Eckhard; Chaudhuri, Phalguni","Deliberate Synthesis for Magnetostructural Study of Linear Tetranuclear Complexes BIIIMnIIMnIIBIII, MnIIIMnIIMnIIMnIII, MnIVMnIIMnIIMnIV, FeIIIMnIIMnIIFeIII, and CrIIIMnIIMnIICrIII. Influence of Terminal Ions on the Exchange Coupling","Inorganic Chemistry","2006","45","15","5911","5923","10.1021/ic060409a","","","0.71073","MoKα","","0.042","0.0379","","0.113","0.098","","","","1.107","1.116","1.116","","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332752","7.4554","0.0002","7.4554","0.0002","12.7397","0.001","90","","90","","120","","613.24","0.05","295","2","295","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Co[BPO4(OH)2]","","","- B Co H2 O6 P -","- B Co H2 O6 P -","- B6 Co6 H12 O36 P6 -","6","1","","Huang, Ya-Xi; Ewald, Bastian; Schnelle, Walter; Prots, Yurii; Kniep, Rüdiger","Chirality and Magnetism in a Novel Series of Isotypic Borophosphates: MII[BPO4(OH)2] (MII= Mn, Fe, Co)","Inorganic Chemistry","2006","45","19","7578","7580","10.1021/ic0607991","","","0.71073","MoKα","","0.033","0.028","","","0.054","0.057","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333175","12.091","0.0003","12.091","0.0003","30.0744","0.0012","90","","90","","120","","3807.6","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C64 H58 N O9 Yb -","- C64 H58 N O9 Yb -","- C192 H174 N3 O27 Yb3 -","3","0.5","","Van Deun, Rik; Fias, Pascal; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Visible-Light-Sensitized Near-Infrared Luminescence from Rare-Earth Complexes of the 9-Hydroxyphenalen-1-one Ligand","Inorganic Chemistry","2006","45","26","10416","10418","10.1021/ic0616277","","","1.54178","CuKα","","0.0421","0.0385","","","0.0896","0.0909","","","","","","0.97","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333256","9.6165","0.0001","9.6165","0.0001","25.2979","0.0004","90","","90","","120","","2026.05","0.04","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C22 H18 Cl4 N10 O Zn2 -","- C22 H18 Cl4 N10 O Zn2 -","- C66 H54 Cl12 N30 O3 Zn6 -","3","0.5","","Chen, Chih-Yuan; Cheng, Pi-Yun; Wu, Hsin-Hsuan; Lee, Hon Man","Conformational Effect of 2,6-Bis(imidazol-1-yl)pyridine on the Self-Assembly of 1D Coordination Chains: Spontaneous Resolution, Supramolecular Isomerism, and Structural Transformation","Inorganic Chemistry","2007","46","14","5691","5699","10.1021/ic700428e","","x-ray","0.71073","MoKα","","0.0245","0.0229","","","0.0627","0.0631","","","","","","1.025","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333258","9.7276","0.0001","9.7276","0.0001","25.7448","0.0005","90","","90","","120","","2109.75","0.05","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C11 H9 Br2 N5 O0.25 Zn -","- C11 H9 Br2 N5 O0.25 Zn -","- C66 H54 Br12 N30 O1.5 Zn6 -","6","1","","Chen, Chih-Yuan; Cheng, Pi-Yun; Wu, Hsin-Hsuan; Lee, Hon Man","Conformational Effect of 2,6-Bis(imidazol-1-yl)pyridine on the Self-Assembly of 1D Coordination Chains: Spontaneous Resolution, Supramolecular Isomerism, and Structural Transformation","Inorganic Chemistry","2007","46","14","5691","5699","10.1021/ic700428e","","x-ray","0.71073","MoKα","","0.0321","0.025","","","0.0483","0.0494","","","","","","0.999","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4334982","9.8556","0.0005","9.8556","0.0005","15.7233","0.0003","90","","90","","120","","1322.64","0.1","273","2","273","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C8 H18 Co2 N2 O8 P3 -","- C8 H18 Co2 N2 O8 P3 -","- C24 H54 Co6 N6 O24 P9 -","3","0.5","","Li-Ming Li; Kai Cheng; Fei Wang; Jian Zhang","Ionothermal Synthesis of Chiral Metal Phosphite Open Frameworks with In Situ Generated Organic Templates","Inorganic Chemistry","2013","52","","5654","5656","10.1021/ic4007795","","","0.71073","MoKα","","0.0596","0.0581","","","0.188","0.191","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334983","9.8355","0.0005","9.8355","0.0005","15.6659","0.0004","90","","90","","120","","1312.44","0.1","273","2","273","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C8 H18 N2 O9 P3 Zn2 -","- C8 H18 N2 O9 P3 Zn2 -","- C24 H54 N6 O27 P9 Zn6 -","3","0.5","","Li-Ming Li; Kai Cheng; Fei Wang; Jian Zhang","Ionothermal Synthesis of Chiral Metal Phosphite Open Frameworks with In Situ Generated Organic Templates","Inorganic Chemistry","2013","52","","5654","5656","10.1021/ic4007795","","","0.71073","MoKα","","0.0366","0.0334","","","0.076","0.0778","","","","","","1.038","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4336298","14.945","0.002","14.945","0.002","20.484","0.004","90","","90","","120","","3962.2","1.1","100","2","100","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C19 H35 Cl N3 O P Ru -","- C19 H35 Cl N3 O P Ru -","- C114 H210 Cl6 N18 O6 P6 Ru6 -","6","1","","Eran Fogler; Mark A. Iron; Jing Zhang; Yehoshoa Ben-David; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Ru(0) and Ru(II) Nitrosyl Pincer Complexes: Structure, Reactivity, and Catalytic Activity","Inorganic Chemistry","2013","52","","11469","11479","10.1021/ic401780p","","","0.71073","MoKα","","0.064","0.0483","","","0.1173","0.1247","","","","","","0.871","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4339380","10.8161","0.0001","10.8161","0.0001","9.7482","0.0001","90","","90","","120","","987.635","0.016","295","2","295","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C9 H6 Ag F3 N4 O3 S -","- C9 H6 Ag F3 N4 O3 S -","- C27 H18 Ag3 F9 N12 O9 S3 -","3","0.5","","Luo, Tzuoo-Tsair; Liu, Yen-Hsiang; Chan, Chun-Chieh; Huang, Sheng-Ming; Chang, Bor-Chen; Lu, Yi-Long; Lee, Gene-Hsiang; Peng, Shih-Ming; Wang, Ju-Chun; Lu, Kuang-Lieh","Toward quartz and cristobalite: spontaneous resolution, structures, and characterization of chiral silica-mimetic silver(I)-organic materials.","Inorganic chemistry","2007","46","24","10044","10046","10.1021/ic701412q","","","0.71073","MoKα","","0.0484","0.0399","","","0.0954","0.0989","","","","","","1.052","","","","has coordinates","179496","2020-10-21","18:00:00",""
"4340113","7.0147","0.0006","7.0147","0.0006","12.9094","0.0011","90","","90","","120","","550.12","0.08","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Sodium Neptunium(III) sulfate","","","- H0 Na Np O9 S2 -","- Na Np O9 S2 -","- Na3 Np3 O27 S6 -","3","0.5","","Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E","Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials.","Inorganic chemistry","2014","53","14","7455","7466","10.1021/ic500771t","","","0.71073","MoKα","","0.0194","0.0194","","","0.0528","0.0528","","","","","","1.264","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340115","7.1963","0.0014","7.1963","0.0014","13.386","0.004","90","","90","","120","","600.3","0.2","296","2","296","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Potassium Neptunium(III) sulfate hydrate","","","- K Np O9 S2 -","- K1.042 Np0.958 O9 S2 -","- K3.126 Np2.874 O27 S6 -","3","0.5","","Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E","Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials.","Inorganic chemistry","2014","53","14","7455","7466","10.1021/ic500771t","","","0.71073","MoKα","","0.0499","0.0312","","","0.0715","0.0793","","","","","","1.108","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340166","10.963","0.002","10.963","0.002","16.034","0.003","90","","90","","120","","1668.9","0.5","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C26 H16 Cu N2 O9 -","- C26 H16 Cu N2 O9 -","- C78 H48 Cu3 N6 O27 -","3","0.5","","Zang, Shuangquan; Su, Yang; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","One dense and two open chiral metal-organic frameworks: crystal structures and physical properties.","Inorganic chemistry","2006","45","7","2972","2978","10.1021/ic0520418","","","0.71073","MoKα","","0.0778","0.065","","","0.1523","0.1567","","","","","","0.995","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4345450","6.8245","0.0005","6.8245","0.0005","13.7181","0.0014","90","","90","","120","","553.31","0.08","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- B4 Ba2 H0 O9 -","- B4 Ba2 O9 -","- B12 Ba6 O27 -","3","0.5","","Wu, Chao; Li, Longhua; Song, Junling; Yang, Gang; Humphrey, Mark G.; Zhang, Chi","Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet.","Inorganic chemistry","2017","56","3","1340","1348","10.1021/acs.inorgchem.6b02457","","","0.71073","MoKα","","0.0814","0.0706","","","0.1449","0.1503","","","","","","1.115","","","","has coordinates","192978","2020-10-21","18:00:00",""
"4346755","17.5311","0.0003","17.5311","0.0003","23.124","0.0004","90","","90","","120","","6154.77","0.18","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C84 H70 Cl5 Cu3 N8 P6 -","- C84 H70 Cl5 Cu3 N8 P6 -","- C252 H210 Cl15 Cu9 N24 P18 -","3","0.5","","Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.","Self-Assembled Cyclophane-Type Copper(I) Complexes of 2,4,6-Tris(diphenylphosphino)-1,3,5-triazine and Their Catalytic Application.","Inorganic chemistry","2015","54","22","10985","10992","10.1021/acs.inorgchem.5b02075","","","1.54178","CuKα","","0.0478","0.0417","","","0.1014","0.1048","","","","","","1.101","","","","has coordinates,has disorder","231960","2020-10-21","18:00:00",""
"4348608","21.027","0.002","21.027","0.002","20.5274","0.001","90","","90","","120","","7859.9","1.1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C52 H34 N12 O8 Zn3 -","- C52 H34 N12 O8 Zn3 -","- C156 H102 N36 O24 Zn9 -","3","0.5","","Chen, Di-Ming; Tian, Jia-Yue; Liu, Chun-Sen","Ligand Symmetry Modulation for Designing Mixed-Ligand Metal-Organic Frameworks: Gas Sorption and Luminescence Sensing Properties.","Inorganic chemistry","2016","55","17","8892","8897","10.1021/acs.inorgchem.6b01419","","","0.71073","MoKα","","0.1276","0.0834","","","0.1981","0.233","","","","","","0.991","","","","has coordinates","233176","2020-10-21","18:00:00",""
"4349524","22.4258","0.0016","22.4258","0.0016","10.919","0.0015","90","","90","","120","","4755.6","0.8","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25 H25 Cu N3 O8 -","- C25 H25 Cu N3 O8 -","- C150 H150 Cu6 N18 O48 -","6","1","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Zhu, Zhonghua; Wang, Yao-Yu","A chiral metal‒organic framework with polar channels: unique interweaving six-fold helices and high CO2/CH4 separation","Inorganic Chemistry Frontiers","2016","3","10","1326","","10.1039/C6QI00282J","","","0.71073","MoKα","","0.0875","0.0803","","","0.2218","0.2286","","","","","","1.045","","","","has coordinates","234854","2020-10-21","18:00:00",""
"4350628","15.6723","0.0008","15.6723","","4.6889","0.0007","90","","90","","120","","997.39","0.16","293","2","","","","","","","","","","5","P 31 2 1","P 31 2""","152","PhBPSTMe","","","- C12 H11 N3 S2 Se2 -","- C12 H11 N3 S2 Se2 -","- C36 H33 N9 S6 Se6 -","3","0.5","","Brusso, Jaclyn L.; Derakhshan, Shahab; Itkis, Mikhail E.; Kleinke, Holger; Haddon, Robert C.; Oakley, Richard T.; Reed, Robert W.; Richardson, John F.; Robertson, Craig M.; Thompson, Laurence K.","Isostructural bisdithiazolyl and bisthiaselenazolyl radicals: trends in bandwidth and conductivity.","Inorganic chemistry","2006","45","26","10958","10966","10.1021/ic061687c","powder diffraction","x-ray","1.54056","Kα~1~","","","","","","","","0.12711","","626.98","","","","","","","has coordinates","239971","2020-10-21","18:00:00",""
"4500245","10.2422","0.0006","10.2422","0.0006","23.343","0.0016","90","","90","","120","","2120.7","0.2","153","2","153","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C21 H38 Fe N10 Ni O2 -","- C21 H38 Fe N10 Ni O2 -","- C63 H114 Fe3 N30 Ni3 O6 -","3","0.5","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.1114","0.0469","","","0.0905","0.1298","","","","","","1.095","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500681","12.6602","0.0009","12.6602","0.0009","28.733","0.004","90","","90","","120","","3988.3","0.7","291","2","291","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C52 H70 N O9 -","- C52 H70 N O9 -","- C156 H210 N3 O27 -","3","0.5","","Guan, Yang-Fan; Li, Zheng-Yi; Ni, Meng-Fei; Lin, Chen; Jiang, Juli; Li, Yi-Zhi; Wang, Leyong","Chiral Moieties-Oriented Single-Stranded Helical Assembly of Calix[4]azacrown Derivatives","Crystal Growth & Design","2011","11","7","2684","","10.1021/cg2000975","","","0.71073","MoKα","","0.077","0.0606","","","0.1363","0.1403","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501221","13.0654","0.0006","13.0654","0.0006","12.3392","0.001","90","","90","","120","","1824.16","0.19","295","2","295","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C11 H7 Cd Cl F2 N2 O2 -","- C11 H7 Cd Cl F2 N2 O2 -","- C66 H42 Cd6 Cl6 F12 N12 O12 -","6","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Li, Chao; Chen, Qun; Du, Miao","Fluorine-Induced Chiral Coordination Arrays Containing Helical Hydrogen-Bonding Chains of Water or Fluorinated Ligand","Crystal Growth & Design","2011","11","12","5171","","10.1021/cg200902g","","","0.71073","MoKα","","0.0158","0.0149","","","0.0367","0.0371","","","","","","1.031","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4502594","15.0313","0.0015","15.0313","0.0015","20.896","0.002","90","","90","","120","","4088.7","0.7","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C32 H19 N5 O4 Pb -","- C32 H19 N5 O4 Pb -","- C192 H114 N30 O24 Pb6 -","6","1","","Wang, Xiu-Li; Chen, Yong-Qiang; Gao, Qiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Jin-Xia; Tian, Ai-Xiang","Coordination Behavior of 5,6-Substituted 1,10-Phenanthroline Derivatives and Structural Diversities by Coligands in the Construction of Lead(II) Complexes","Crystal Growth & Design","2010","10","5","2174","","10.1021/cg901431r","","","0.71073","MoKα","","0.0773","0.0431","","","0.065","0.0742","","","","","","0.946","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4503088","9.1907","0.0013","9.1907","0.0013","12.759","0.003","90","","90","","120","","933.3","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C10 H10 Cd N2 O6 -","- C10 H10 Cd N2 O6 -","- C30 H30 Cd3 N6 O18 -","3","0.5","","Zou, Ru-Qiang; Zhong, Rui-Qin; Du, Miao; Pandey, Daya S.; Xu, Qiang","Controllable Congregating of Homochiral and Achiral Coordination Polymers: Cadmium(II) Pyridine-2,4,6-Tricarboxylate Species with Double-Helical Strand and Molecular Building Block Structures","Crystal Growth & Design","2008","8","2","452","","10.1021/cg0702636","","","0.71073","MoKα","","0.0152","0.0151","","","0.0374","0.0375","","","","","","1.096","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503658","14.483","0.001","14.483","0.001","20.036","0.002","90","","90","","120","","3639.6","0.5","110","2","110","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C28 H22 Cl O4.5 -","- C28 H21.5 Cl O4.5 -","- C168 H129 Cl6 O27 -","6","1","","Imai, Yoshitane; Kamon, Kensaku; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Preparation and Crystal Structure of Guest-Dependent Charge-Transfer Host System Using 1,1′-Bi-2-naphthol and 2-Chloro-5-methyl-benzoquinone","Crystal Growth & Design","2008","8","10","3493","","10.1021/cg800211v","","","0.71073","MoKα","","0.0619","0.0586","","","0.1719","0.1763","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504195","9.9881","0.0005","9.9881","0.0005","19.464","0.002","90","","90","","120","","1681.6","0.2","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H22 Co N6 O4 -","- C24 H22 Co N6 O4 -","- C72 H66 Co3 N18 O12 -","3","0.5","","Montney, Matthew R.; Mallika Krishnan, Subhashree; Patel, Niral M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Succinate/4,4‘-Dipyridylamine Extended Solids: From Helical Chains to Diverse Three-Dimensional Networks Featuring Double, Quadruple, or Self-Interpenetration","Crystal Growth & Design","2007","7","6","1145","","10.1021/cg070008l","","","0.71073","MoKα","","0.0634","0.0426","","","0.0822","0.0872","","","","","","0.963","","","","has coordinates,has disorder","179576","2020-10-21","18:00:00",""
"4507265","11.05","0.003","11.05","0.003","27.772","0.01","90","","90","","120","","2936.7","1.5","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C26 H20 Co2 N2 O11 -","- C26 H20 Co2 N2 O11 -","- C78 H60 Co6 N6 O33 -","3","0.5","","Hou, Lei; Liu, Bin; Jia, Li-Na; Wei, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two New (3,6)-Connected Frameworks Based on an Unsymmetrical Tritopic Pyridyldicarboxylate Ligand and Co2Dimer: Structures, Magnetic, and Sorption Properties","Crystal Growth & Design","2013","13","2","701","","10.1021/cg301413u","","","0.71073","MoKα","","0.0502","0.0421","","","0.0994","0.1012","","","","","","0.941","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507983","12.1738","0.0005","12.1738","0.0005","51.834","0.003","90","","90","","120","","6652.7","0.5","293","2","293","2","","","","","","","synthesis as described","4","P 31 2 1","P 31 2""","152","","","","- C44 H62 N4 O6 -","- C44 H62 N4 O6 -","- C264 H372 N24 O36 -","6","1","","Mahieux, J.; Sanselme, M.; Harthong, S.; Melan, C.; Aronica, C.; Guy, L.; Coquerel, G.","Preparative Resolution of (±)-Bis-tetralone by Means of Autoseeded Preferential Crystallization Induced by Solvent Evaporation (ASPreCISE)","Crystal Growth & Design","2013","13","8","3621","","10.1021/cg400589u","","x-ray","0.71073","MoKα","","0.0939","0.0904","","","0.2157","0.2217","","","","","","0.977","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4510229","14.947","0.0013","14.947","0.0013","3.8185","0.0003","90","","90","","120","","738.81","0.11","120","2","120.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C42 H24 N6 O3 -","3","0.5","","Durga Prasad, Karothu; Venkataramaiah, N.; Guru Row, Tayur N.","1,9-Pyrazoloanthrone as a Colorimetric and “Turn-On” Fluorometric Chemosensor: Structural Implications","Crystal Growth & Design","2014","14","5","2118","","10.1021/cg5002489","","","0.71073","MoKα","","0.1385","0.0967","","","0.196","0.2182","","","","","","1.071","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4512273","10.136","0.003","10.136","0.003","26.725","0.007","90","","90","","120","","2377.8","1.2","150","2","150","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C33 H26 Cu2 N4 O15 -","- C33 H22 Cu2 N4 O15 -","- C99 H66 Cu6 N12 O45 -","3","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.6889","synchrotron","","0.0581","0.0492","","","0.1393","0.1449","","","","","","1.065","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512860","19.7657","0.0008","19.7657","0.0008","11.8402","0.0009","90","","90","","120","","4006","0.4","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C25 H25 Co N2 O8 S2 -","- C22 H18 Co N O7 S2 -","- C132 H108 Co6 N6 O42 S12 -","6","1","","Chen, Bin; Lv, Zhong-Peng; Leong, Chanel F.; Zhao, Yue; D’Alessandro, Deanna M.; Zuo, Jing-Lin","Crystal Structures, Gas Adsorption, and Electrochemical Properties of Electroactive Coordination Polymers Based on the Tetrathiafulvalene-Tetrabenzoate Ligand","Crystal Growth & Design","2015","15","4","1861","","10.1021/acs.cgd.5b00014","","","0.71073","MoKα","","0.0477","0.0441","","","0.1195","0.122","","","","","","1.059","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512867","10.3886","0.0008","10.3886","0.0008","23.2837","0.0018","90","","90","","120","","2176.2","0.3","100","","100","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C96 H120 O18 -","6","1","","Commins, Patrick; Natarajan, Arunkumar; Tsai, Chao-Kuan; Khan, Saeed I.; Nath, Naba K.; Naumov, Panče; Garcia-Garibay, Miguel A.","Structure‒Reactivity Correlations and Mechanistic Understanding of the Photorearrangement and Photosalient Effect of α-Santonin and Its Derivatives in Solutions, Crystals, and Nanocrystalline Suspensions","Crystal Growth & Design","2015","15","4","1983","","10.1021/acs.cgd.5b00135","","","0.71073","MoKα","","0.057","0.0386","","","0.0851","0.0918","","","","","","1.018","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4513384","19.0457","0.0003","19.0457","0.0003","41.0671","0.0011","90","","90","","120","","12900.9","0.4","200","2","200","2","","","","","","","","5","P 31 2 1","P 31 2""","152","(R,R,SN-R,R,SN)-Ti-4A","","","- C76 H78 N4 O11 Ti2 -","- C76 H78 N4 O11 Ti2 -","- C456 H468 N24 O66 Ti12 -","6","1","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.1148","0.0641","","","0.1676","0.1808","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513529","9.9361","0.0002","9.9361","0.0002","42.3479","0.0018","90","","90","","120","","3620.72","0.19","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H22 Cd1.5 N2 O7.5 -","- C24 H21 Cd1.5 N2 O7.5 -","- C144 H126 Cd9 N12 O45 -","6","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0628","0.0593","","","0.1811","0.1867","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513794","24.1287","0.0008","24.1287","0.0008","33.801","0.002","90","","90","","120","","17042.3","1.3","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C112 H91 F12 N O16 P4 -","- C112 H91 F12 N O16 P4 -","- C672 H546 F72 N6 O96 P24 -","6","1","","Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro","Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst","ACS Catalysis","2016","6","2","949","","10.1021/acscatal.5b02079","","","0.71073","MoKα","","0.0522","0.046","","","0.127","0.1322","","","","","","1.043","","","","has coordinates,has disorder","177380","2020-10-21","18:00:00",""
"4515264","22.777","0.008","22.777","0.008","13.338","0.005","90","","90","","120","","5993","4","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C36 H43 Mo12 N6 O41 P Zn4 -","- C36 H38 Mo12 N6 O41 P Zn4 -","- C108 H114 Mo36 N18 O123 P3 Zn12 -","3","0.5","","Cheng, Weiwei; Shen, Feng-Cui; Xue, Yun-shan; Luo, Ximing; Fang, Min; Lan, Ya-Qian; Xu, Yan","A Pair of Rare Three-Dimensional Chiral Polyoxometalate-Based Metal‒Organic Framework Enantiomers Featuring Superior Performance as the Anode of Lithium-Ion Battery","ACS Applied Energy Materials","2018","1","9","4931","","10.1021/acsaem.8b00938","","","0.71073","MoKα","","0.054","0.0463","","","0.1402","0.1463","","","","","","1.131","","","","has coordinates","225431","2020-10-21","18:00:00",""
"4516623","14.0948","0.0002","14.0948","0.0002","21.151","0.0003","90","","90","","120","","3638.98","0.09","150","2","150","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C23 H23 F6 N7 Pt -","- C23 H23 F6 N7 Pt -","- C138 H138 F36 N42 Pt6 -","6","1","","Hsu, Che-Wei; Ly, Kiet Tuong; Lee, Wei-Kai; Wu, Chung-Chih; Wu, Lai-Chin; Lee, Jey-Jau; Lin, Tzu-Chieh; Liu, Shih-Hung; Chou, Pi-Tai; Lee, Gene-Hsiang; Chi, Yun","Triboluminescence and Metal Phosphor for Organic Light-Emitting Diodes: Functional Pt(II) Complexes with Both 2-Pyridylimidazol-2-ylidene and Bipyrazolate Chelates.","ACS applied materials & interfaces","2016","8","49","33888","33898","10.1021/acsami.6b12707","","","0.71073","MoKα","","0.044","0.0296","","","0.069","0.0817","","","","","","1.16","","","","has coordinates,has disorder","239412","2020-10-21","18:00:00",""
"4518097","34.8668","0.0013","34.8668","0.0013","24.0968","0.0006","90","","90","","120","","25369.6","1.5","100","0.1","100","0.1","","","","","","","","8","P 31 2 1","P 31 2""","152","","","","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C182 H240 Ag30 B80 N4 O4 P12 S24 -","- C546 H720 Ag90 B240 N12 O12 P36 S72 -","3","0.5","","Huang, Jia-Hong; Wang, Zhao-Yang; Zang, Shuang-Quan; Mak, Thomas C. W.","Spontaneous Resolution of Chiral Multi-Thiolate-Protected Ag30 Nanoclusters","ACS Central Science","2020","","","","","10.1021/acscentsci.0c01045","","x-ray","1.54184","CuKα","","0.1286","0.0793","","","0.192","0.2287","","","","","","0.929","","","","has coordinates","256867","2020-10-21","18:00:00",""
"4518969","22.416","0.007","22.416","0.007","24.448","0.01","90","","90","","120","","10639","6","100","2","100.01","","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C52 H76 Cl Li N8 O4 Pd2 -","- C52 H76 Cl Li N8 O4 Pd2 -","- C312 H456 Cl6 Li6 N48 O24 Pd12 -","6","1","","Hao, Wei; Bay, Katherine L.; Harris, Caleb F.; King, Daniel S.; Guzei, Ilia A.; Aristov, Michael M.; Zhuang, Zhe; Plata, R. Erik; Hill, David E.; Houk, K. N.; Berry, John F.; Yu, Jin-Quan; Blackmond, Donna G.","Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)‒H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species","ACS Catalysis","2021","","","11040","11048","10.1021/acscatal.1c02805","","x-ray","0.71073","MoKα","","0.0509","0.0419","","","0.1048","0.1103","","","","","","1.072","","","","has coordinates,has disorder","268401","2021-09-03","19:33:49",""
"7000515","11.9875","0.0017","11.9875","0.0017","32.248","0.006","90","","90","","120","","4013.2","1.1","293","2","293","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C42 H50 Cu4 N12 O S8 W2 -","- C42 H50 Cu4 N12 O S8 W2 -","- C126 H150 Cu12 N36 O3 S24 W6 -","3","0.5","","Huang, Yu-Jian; Song, Ying-Lin; Chen, Yang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Formation of dimeric and polymeric W/Cu/S clusters via degradation or expansion of the cluster core in [Et4N]4[WS4Cu4I6]","Dalton Transactions","2009","","8","1411","","10.1039/b816312j","","","0.71073","MoKα","","0.0625","0.0526","","","0.1061","0.1108","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7001372","9.686","0.001","9.686","0.001","36.733","0.005","90","","90","","120","","2984.5","0.6","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C23 H22 Fe N2 O2 -","- C23 H22 Fe N2 O2 -","- C138 H132 Fe6 N12 O12 -","6","1","","Gasser, Gilles; Brosch, Oliver; Ewers, Alexandra; Weyhermüller, Thomas; Metzler-Nolte, Nils","Synthesis and characterisation of hetero-bimetallic organometallic phenylalanine and PNA monomer derivatives","Dalton Transactions","2009","","22","4310","4317","10.1039/b819169g","","","0.71073","MoKα","","0.1231","0.0694","","","0.1166","0.1337","","","","","","1.063","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001504","27.879","0.016","27.879","0.016","32.24","0.03","90","","90","","120","","21701","3","291","2","291","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C175 H181 Mn13 N8 O68 P10 -","- C175 H181 Mn13 N8 O68 P10 -","- C525 H543 Mn39 N24 O204 P30 -","3","0.5","","Li, Jin-Tang; Ma, Yun-Sheng; Li, Shao-Gang; Cao, Deng-Ke; Li, Yi-Zhi; Song, You; Zheng, Li-Min","Mixed-valent manganese phosphonate clusters prepared under microwave-assisted and ambient conditions","Dalton Transactions","2009","","25","5029","5034","10.1039/b901121h","","","0.71073","MoKα","","0.0606","0.0512","","","0.1089","0.1114","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7002142","11.3902","0.0016","11.3902","0.0016","18.473","0.004","90","","90","","120","","2075.5","0.6","298","2","298","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C11 H8 Ag F3 N2 O3 S -","- C11 H8 Ag F3 N2 O3 S -","- C66 H48 Ag6 F18 N12 O18 S6 -","6","1","","Bellusci, Anna; Ghedini, Mauro; Giorgini, Loris; Gozzo, Fabia; Szerb, Elisabeta I.; Crispini, Alessandra; Pucci, Daniela","Anion dependent mesomorphism in coordination networks based on 2,2′-bipyridine silver(i) complexes","Dalton Transactions","2009","","36","7381","7389","10.1039/b906178a","","","0.71073","MoKα","","0.053","0.049","","","0.1455","0.1509","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7005995","22.826","0.004","22.826","0.004","17.511","0.004","90","","90","","120","","7901","3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C102 H96 N6 Ni3 O6 -","- C102 H96 N6 Ni3 O6 -","- C306 H288 N18 Ni9 O18 -","3","0.5","","Tang, Guangrong; Jin, Guo-Xin","Polymerization of methyl methacrylate catalyzed by nickel complexes with hydroxyindanone-imine ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","34","3840","3846","10.1039/b708048d","","","0.71073","MoKα","","0.1228","0.0522","","","0.1074","0.137","","","","","","0.818","","","","has coordinates","179763","2020-10-21","18:00:00",""
"7006875","14.0309","0.0012","14.0309","0.0012","54","0.01","90","","90","","120","","9207","2","163","2","163","2","","","","","","","","7","P 31 2 1","P 31 2""","152","rac-9a","rac-9a","","- C53 H41 F18 N12 O P3 Ru2 -","- C53 H41 F18 N12 O P3 Ru2 -","- C318 H246 F108 N72 O6 P18 Ru12 -","6","1","","Slater, Jonathan W.; D'Alessandro, Deanna M; Keene, F. Richard; Steel, Peter J.","Metal-metal interactions in dinuclear ruthenium complexes containing bridging 4,5-di(2-pyridyl)imidazolates and related ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1954","1962","10.1039/b514976m","","","0.71073","MoKα","","0.1978","0.056","","","0.0651","0.0849","","","","","","0.605","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7007521","18.6823","0.0008","18.6823","0.0008","25.475","0.002","90","","90","","120","","7700.3","0.8","173","2","173","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C82 H90 Cl2 N4 Ni O11 -","- C82 H76 Cl2 N4 Ni O11 -","- C246 H228 Cl6 N12 Ni3 O33 -","3","0.5","","Wu, Chuan-De; Lin, Wenbin","Homochiral porous solids based on 1D coordination polymers built from 46-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4563","4569","10.1039/b606817k","","","0.71073","MoKα","","","0.1121","","","0.2633","0.2933","","","","","","1.028","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7011713","13.197","0.0005","13.197","0.0005","21.1154","0.001","90","","90","","120","","3184.8","0.2","200","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","Bis[(S,S)-1,2-bis(1methyl-benzimidazol-2-yl)-1,2-ethanediolate] nickel(II)","","- C38 H48 N8 Ni O9 -","- C38 H39 N8 Ni O9 -","- C114 H117 N24 Ni3 O27 -","3","0.5","","Katharina Isele; Vanessa Broughton; Craig J. Matthews; Alan F. Williams; Gérald Bernardinelli; Patrick Franz; Silvio Decurtins","1,2-Bis(2-benzimidazolyl)-1,2-ethanediol, a chiral, tridentate, facially coordinating ligand","J. Chem. Soc., Dalton Trans.","2002","","20","3899","3905","10.1039/b203229e","","","0.71073","MoKα","","","0.046","","","","0.055","","","","","","2.74","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012356","15.1838","0.0001","15.1838","0.0001","24.9779","0.0002","90","","90","","120","","4987.09","0.06","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","Bis(2,6-bis(3-(2,4,6-trimethylphenyl)pyrazol-1- yl)pyrazine)iron(ii) ditetrafluoroborate pentakis-nitromethane solvate","Bis[2,6-bis(3-{2,4,6-trimethylphenyl}pyrazol-1-yl)pyrazine]iron(II) ditetrafluoroborate pentakis-nitromethane solvate","","- C61 H71 B2 F8 Fe N17 O10 -","- C61 H71 B1.98 F7.92 Fe N17 O10 -","- C183 H213 B5.94 F23.76 Fe3 N51 O30 -","3","0.5","","Jérôme Elhaïk; Victoria A. Money; Simon A. Barrett; Colin A. Kilner; Ivana Radosavljevic Evans; Malcolm A. Halcrow","The spin-states and spin-crossover behaviour of iron(II) complexes of 2,6-dipyrazol-1-ylpyrazine derivatives","Dalton Trans.","2003","","10","2053","2060","10.1039/b210368k","","","0.71073","MoKα","","0.0636","0.0569","","","0.1535","0.1603","","","","","","1.07","","","","has coordinates,has disorder","179827","2020-10-21","18:00:00",""
"7014427","9.6236","0.0002","9.6236","0.0002","35.6392","0.0008","90","","90","","120","","2858.47","0.11","295","","295","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C18 H49 K3 N12 Ni3 O17 -","- C18 H45 K3 N12 Ni3 O17 -","- C54 H135 K9 N36 Ni9 O51 -","3","0.5","","Bacco, Dimitri; Bertolasi, Valerio; Dallavalle, Francesco; Galliera, Lorenzo; Marchetti, Nicola; Marchiò, Luciano; Remelli, Maurizio; Tegoni, Matteo","Metallacrowns of Ni(ii) with α-aminohydroxamic acids in aqueous solution: beyond a 12-MC-4, an unexpected (vacant?) 15-MC-5","Dalton Transactions","2011","40","11","2491","","10.1039/c0dt00832j","","","0.71073","MoKα","","0.0485","0.0403","","","0.0937","0.0978","","","","","","1.067","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7015133","23.2217","0.0003","23.2217","0.0003","29.1908","0.0006","90","","90","","120","","13632.2","0.4","183","2","183","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C84 H54 N12 O24 Re6 S6 -","- C84 H54 N12 O24 Re6 S6 -","- C504 H324 N72 O144 Re36 S36 -","6","1","","Gupta, Deepak; Rajakannu, Palanisamy; Shankar, Bhaskaran; Shanmugam, Ramasamy; Hussain, Firasat; Sarkar, Biprajit; Sathiyendiran, Malaichamy","Furan-decorated neutral Re(i)-based 2D rectangle and 3D trigonal prism.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5433","5435","10.1039/c0dt01227k","","","0.71073","MoKα","","0.0985","0.0438","","","0.0395","0.0451","","","","","","0.814","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015501","8.8079","0.0003","8.8079","0.0003","21.1663","0.0006","90","","90","","120","","1422.07","0.08","90","2","90","2","","","","","","","synthesis as described","4","P 31 2 1","P 31 2""","152","","","","- C7 H8 Ni O7 -","- C7 H8 Ni O7 -","- C42 H48 Ni6 O42 -","6","1","","Saines, Paul J.; Yeung, Hamish H.-M.; Hester, James R.; Lennie, Alistair R.; Cheetham, Anthony K.","Detailed investigations of phase transitions and magnetic structure in Fe(iii), Mn(ii), Co(ii) and Ni(ii) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6401","6410","10.1039/c0dt01687j","","x-ray","0.71073","MoKα","","0.0329","0.0272","","","0.0546","0.0566","","","","","","1.081","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015502","8.6716","0.0004","8.6716","0.0004","10.865","0.0005","90","","90","","120","","707.55","0.06","90","2","90","2","","","","","","","synthesis as described","4","P 31 2 1","P 31 2""","152","fe gallate dihydrate","","","- C7 H7 Fe O7 -","- C7 H2 Fe O7 -","- C21 H6 Fe3 O21 -","3","0.5","","Saines, Paul J.; Yeung, Hamish H.-M.; Hester, James R.; Lennie, Alistair R.; Cheetham, Anthony K.","Detailed investigations of phase transitions and magnetic structure in Fe(iii), Mn(ii), Co(ii) and Ni(ii) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6401","6410","10.1039/c0dt01687j","","x-ray","0.71073","MoKα","","0.0405","0.0366","","","0.0986","0.1036","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015503","9.0659","0.0002","9.0659","0.0002","21.7273","0.0005","90","","90","","120","","1546.53","0.06","102","2","102","2","","","","","","","synthesis as described","4","P 31 2 1","P 31 2""","152","","","","- C7 H8 Mn O7 -","- C7 H8 Mn O7 -","- C42 H48 Mn6 O42 -","6","1","","Saines, Paul J.; Yeung, Hamish H.-M.; Hester, James R.; Lennie, Alistair R.; Cheetham, Anthony K.","Detailed investigations of phase transitions and magnetic structure in Fe(iii), Mn(ii), Co(ii) and Ni(ii) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6401","6410","10.1039/c0dt01687j","","x-ray","0.71073","MoKα","","0.0424","0.0362","","","0.0926","0.0965","","","","","","1.118","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7017407","13.0154","0.0001","13.0154","0.0001","17.9458","0.0002","90","","90","","120","","2632.74","0.04","123","1","123","1","","","","","","","","4","P 31 2 1","P 31 2""","152","(Co(2,2'-bipy)3)(HCTMCP)","[Co(2,2'-bipy)3](HCTMCP)","","- C42 H24 Co N12 -","- C42 H24 Co N12 -","- C126 H72 Co3 N36 -","3","0.5","","Kutasi, Anna M.; Turner, David R.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Complexes of a hexa-nitrile dianion with neutral, chelating co-ligands: Self-assembly, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12358","12367","10.1039/c1dt11369k","","","0.71073","MoKα","","0.0252","0.0224","","","0.0575","0.0587","","","","","","1.053","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7018262","11.9245","0.0001","11.9245","0.0001","16.302","0.0005","90","","90","","120","","2007.48","0.07","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C4 H12 N3 Ni1.5 O10 -","- C4 H12 N3 Ni1.5 O10 -","- C24 H72 N18 Ni9 O60 -","6","1","","Zheng, Wenxu; Wei, Yongqin; Xiao, Xueying; Wu, Kechen","Spontaneous asymmetric crystallization of a quartz-type framework from achiral precursors.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3138","3140","10.1039/c2dt12238c","","","0.71073","MoKα","","0.047","0.0444","","","0.1223","0.1249","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021364","17.3278","0.0004","17.3278","0.0004","9.1188","0.0003","90","","90","","120","","2371.13","0.11","150","","150","","","","","","","","","5","P 31 2 1","P 31 2""","152","catena((2,2'-dihydroxy-4,4'-dicarboxylato- bis(diethylformamido)-nickel(ii)) DEF-solvate)","catena{[2,2'-dihydroxy-4,4'-dicarboxylato-bis(diethylformamido)- nickel(II)] DEF-solvate}","","- C24 H28 N2 Ni O8 -","- C24 H28 N2 Ni O8 -","- C72 H84 N6 Ni3 O24 -","3","0.5","","Keene, Tony D.; Rankine, Damien; Evans, Jack D.; Southon, Peter D.; Kepert, Cameron J.; Aitken, Jade B.; Sumby, Christopher J.; Doonan, Christian J.","Solvent-modified dynamic porosity in chiral 3D kagome frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7871","7879","10.1039/c3dt00096f","","","0.7107","MoKα","","0.0948","0.0931","","","0.2582","0.2592","","","","","","1.228","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021365","17.2139","0.0003","17.2139","0.0003","8.524","0.0005","90","","90","","120","","2187.42","0.14","150","","150","2","","","","","","","","5","P 31 2 1","P 31 2""","152","catena((2,2'-dihydroxy-4,4'-dicarboxylato- bis(dimethylformamido)-nickel(ii)) DMF-solvate)","catena{[2,2'-dihydroxy-4,4'-dicarboxylato-bis(dimethylformamido)-nickel(II)] DMF-solvate}","","- C20 H20 N2 Ni O8 -","- C20 H20 N2 Ni O8 -","- C60 H60 N6 Ni3 O24 -","3","0.5","","Keene, Tony D.; Rankine, Damien; Evans, Jack D.; Southon, Peter D.; Kepert, Cameron J.; Aitken, Jade B.; Sumby, Christopher J.; Doonan, Christian J.","Solvent-modified dynamic porosity in chiral 3D kagome frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7871","7879","10.1039/c3dt00096f","","","0.71073","MoKα","","0.0491","0.0419","","","0.115","0.1185","","","","","","1.102","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021794","28.354","0.012","28.354","0.012","14.616","0.006","90","","90","","120","","10176","7","133","2","133","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C59 H73 Cl Mn3 N4 O12.5 -","- C58 H70 Mn3 N4 O12 -","- C348 H420 Mn18 N24 O72 -","6","1","","Hirotsu, Masakazu; Kawamoto, Keisuke; Tanaka, Rika; Nagai, Yuji; Ueno, Keiji; Teki, Yoshio; Kinoshita, Isamu","Titanium and manganese complexes supported by a xanthene-bridged bis(tripodal N2O2) ligand: isomerization, intramolecular hydrogen bonding and metal-binding ability.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12220","12227","10.1039/c3dt51389k","","","0.710747","MoKα","","0.0796","0.0725","","","0.1924","0.1992","","","","","","1.208","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021861","11.7292","0.0003","11.7292","0.0003","27.8342","0.0013","90","","90","","120","","3316.2","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C22 H20 N4 O4 Pd2 -","- C22 H20 N4 O4 Pd2 -","- C132 H120 N24 O24 Pd12 -","6","1","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; Galiana, José Miguel; García, Joaquín; Martínez, Marina; Sánchez, Gregorio; da Silva, Ivan","New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","156","168","10.1039/c0dt00814a","","","0.71073","MoKα","","0.0267","0.026","","","0.0578","0.0582","","","","","","1.064","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7022611","9.7557","0.0014","9.7557","0.0014","27.274","0.006","90","","90","","120","","2248","0.7","123","2","123","2","","","","","","","","5","P 31 2 1","P 31 2""","152","compound2","","","- C21 H18 O12 Ru4 Si2 -","- C21 H18 O12 Ru4 Si2 -","- C63 H54 O36 Ru12 Si6 -","3","0.5","","González-López, Vianney; Leyva, Marco A.; Rosales-Hoz, María J","Coupling of acetylene molecules on ruthenium clusters, involving cleavage of C-Si bonds in the alkyne and coordination of a phenyl ring of a SiPh3 group.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5401","5411","10.1039/c3dt32335h","","x-ray","0.71073","MoKα","","0.0666","0.041","","","0.0581","0.0639","","","","","","1.05","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7023718","6.9793","0.0005","6.9793","","6.4743","0.0007","90","","90","","120","","273.12","0.04","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Bi H1.34 O4.67 P -","- Bi H1.34 O4.67 P -","- Bi3 H4.02 O14.01 P3 -","3","0.5","","Achary, S. N.; Errandonea, D.; Muñoz, A; Rodríguez-Hernández, P; Manjón, F J; Krishna, P. S. R.; Patwe, S. J.; Grover, V.; Tyagi, A. K.","Experimental and theoretical investigations on the polymorphism and metastability of BiPO4.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14999","15015","10.1039/c3dt51823j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7024966","11.4515","0.0004","11.4515","0.0004","26.7751","0.0012","90","","90","","120","","3040.8","0.2","113","2","113","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C42 H54 N4 O4 S2 Ti -","- C42 H54 N4 O4 S2 Ti -","- C126 H162 N12 O12 S6 Ti3 -","3","0.5","","Zi, Guofu; Zhang, Furen; Xiang, Li; Chen, Yue; Fang, Weihai; Song, Haibin","Synthesis and characterization of group 4 metal amides with new C2-symmetric binaphthyldiamine-based ligands and their use as catalysts for asymmetric hydroamination/cyclization.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4048","4061","10.1039/b923457h","","","0.7107","MoKα","","0.0728","0.0665","","","0.1582","0.1641","","","","","","1.077","","","","has coordinates,has disorder","179954","2020-10-21","18:00:00",""
"7026282","14.3159","0.0004","14.3159","0.0004","19.4452","0.0011","90","","90","","120","","3451.3","0.2","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C36 H28 Cl2 Cu N8 O4.5 -","- C36 H28 Cl2 Cu N8 O4.5 -","- C108 H84 Cl6 Cu3 N24 O13.5 -","3","0.5","","Gong, Yun; Zhou, Yuchao; Li, Jinghua; Cao, Rong; Qin, Jianbo; Li, Jian","Reversible color changes of metal(II)-N(1),N(3)-di(pyridin-4-yl)isophthalamide complexes via desolvation and solvation.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9923","9928","10.1039/c0dt00326c","","","0.71073","MoKα","","0.0895","0.0793","","","0.2202","0.2304","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026412","10.462","0.001","10.462","0.001","27.906","0.001","90","","90","","120","","2645.2","0.4","150","0.1","150","0.1","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C38 H32 Au2 Cl2 O2 P2 -","- C38 H32 Au2 Cl2 O2 P2 -","- C114 H96 Au6 Cl6 O6 P6 -","3","0.5","","Andreiadis, Eugen S.; Vitale, Maxime R.; Mézailles, Nicolas; Le Goff, Xavier; Le Floch, Pascal; Toullec, Patrick Y.; Michelet, Véronique","Chiral undecagold clusters: synthesis, characterization and investigation in catalysis.","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10608","10616","10.1039/c0dt00399a","","","0.71069","MoKα","","0.0542","0.0352","","","0.0583","0.0633","","","","","","0.968","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026419","25.1391","0.0007","25.1391","0.0007","15.0311","0.0008","90","","90","","120","","8226.6","0.5","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C66 H124 Cl6 Mn8 N8 O44 -","- C66 H88 Cl6 Mn8 N8 O44 -","- C198 H264 Cl18 Mn24 N24 O132 -","3","0.5","","Wu, Che-Chih; Datta, Saiti; Wernsdorfer, Wolfgang; Lee, Gene-Hsian; Hill, Stephen; Yang, En-Che","Studies of magnetic properties and HFEPR of octanuclear manganese single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10160","10168","10.1039/c0dt00405g","","","0.71073","MoKα","","0.1177","0.0862","","","0.2203","0.2438","","","","","","1.211","","","","has coordinates,has disorder","179970","2020-10-21","18:00:00",""
"7026906","19.3476","0.0006","19.3476","0.0006","11.5041","0.0004","90","","90","","120","","3729.4","0.2","120","2","120","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C57 H50 N10 O5.67 Zn -","- C52 H40 N10 O4 Zn -","- C156 H120 N30 O12 Zn3 -","3","0.5","","Cryder, Jessica L.; Killgore, Andrew J.; Moore, Curtis; Golen, James A.; Rheingold, Arnold L.; Daley, Christopher J. A.","Novel metal complexes containing a chiral trinitrogen isoindoline-based pincer ligand: in situ synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10671","10677","10.1039/c0dt00869a","","","1.54178","CuKα","","0.0275","0.0264","","","0.0672","0.0678","","","","","","1.03","","","","has coordinates,has disorder","179975","2020-10-21","18:00:00",""
"7027391","10.064","0.0004","10.064","0.0004","57.716","0.004","90","","90","","120","","5062.5","0.5","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C33 H62 As P -","- C33 H62 As P -","- C198 H372 As6 P6 -","6","1","","Wolf, Justin; Manger, Matthias; Schmidt, Ulrich; Fries, Guido; Barth, Dietmar; Weberndörfer, Birgit; Vicic, David A.; Jones, William D.; Werner, Helmut","A new synthetic route to ligands of the general composition R2PCH2ER′2 (E = P, As) and some rhodium complexes derived thereof","Journal of the Chemical Society, Dalton Transactions","1999","","11","1867","","10.1039/a902139f","","","0.71073","MoKα","","0.0729","0.0418","","0.0955","","0.0854","","","0.927","","","1.016","","","","has coordinates","179979","2020-10-21","18:00:00",""
"7027620","19.9054","0.0001","19.9054","0.0001","12.0417","0.0001","90","","90","","120","","4132","0.05","293","2","293","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C56.2 H54.4 Cl0.4 N2 O4 P2 Ru -","- C56.2 H54 Cl0.4 N2 O4 P2 Ru -","- C168.6 H162 Cl1.2 N6 O12 P6 Ru3 -","3","0.5","","Bhattacharyya, Pravat; Loza, Maria L.; Parr, Jonathan; Slawin, Alexandra M. Z.","Complexes of ruthenium with tridentate [P,N,O] ligands","Journal of the Chemical Society, Dalton Transactions","1999","","17","2917","","10.1039/a904905c","","","0.71073","MoKα","","0.0698","0.0493","","0.1934","0.1281","","","","0.882","0.854","0.854","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028081","12.0579","0.0002","12.0579","0.0002","44.7674","0.0009","90","","90","","120","","5636.84","0.17","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C23 H25 F18 O12 Y -","- C23 H25 F18 O12 Y -","- C138 H150 F108 O72 Y6 -","6","1","","Pollard, Kimberly D.; Vittal, Jagadese J.; Yap, Glenn P. A.; Puddephatt, Richard J.","Yttrium β-diketonate complexes with triglyme: ionic and neutral isomers and outer-sphere co-ordination of triglyme †","Journal of the Chemical Society, Dalton Transactions","1998","","8","1265","","10.1039/a801344f","","","0.71073","MoKα","","0.0981","0.0803","","0.1871","0.1715","","","","1.12","1.161","1.161","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7029539","13.9523","0.0009","13.9523","0.0009","26.0654","0.0017","90","","90","","120","","4394.3","0.5","123","2","123","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C32 H22 F8 Ir N4 P -","- C32 H22 F8 Ir N4 P -","- C192 H132 F48 Ir6 N24 P6 -","6","1","","Constable, Edwin C.; Ertl, Cathrin D.; Housecroft, Catherine E.; Zampese, Jennifer A.","Green-emitting iridium(iii) complexes containing sulfanyl- or sulfone-functionalized cyclometallating 2-phenylpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5343","5356","10.1039/c3dt53626b","","","1.54178","CuKα","","0.0172","0.017","","","0.0436","0.0437","","","","","","1.098","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7030088","8.608","0.005","8.608","0.005","29.162","0.005","90","","90","","120","","1871.3","1.6","200","2","200","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Damian (5) Znmepyd (2nd try)","bis(N-ethyl-N-phenyldithiocarbamato-k^2^S,S')(pyridine)zinc (II)","","- C23 H25 N3 S4 Zn -","- C23 H25 N3 S4 Zn -","- C69 H75 N9 S12 Zn3 -","3","0.5","","Onwudiwe, Damian C.; Strydom, Christien A.; Oluwafemi, Oluwatobi S.; Hosten, Eric; Jordaan, Anine","Synthesis, spectral and thermal studies of pyridyl adducts of Zn(ii) and Cd(ii) dithiocarbamates, and their use as single source precursors for ZnS and CdS nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8703","8712","10.1039/c4dt00610k","","","0.71069","MoKα","","0.0252","0.023","","","0.0528","0.0535","","","","","","1.065","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030089","15.729","0.002","15.729","0.002","30.451","0.006","90","","90","","120","","6524.3","1.7","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C63 H46 N6 O48 Pb10 -","- C63 H42 N6 O48 Pb10 -","- C189 H126 N18 O144 Pb30 -","3","0.5","","Han, Yun-Hu; Tian, Chong-Bin; Du, Shao-Wu","An unusual chiral 3D inorganic connectivity featuring a {Pb18} wheel: rapid and highly selective and sensitive sensing of Co(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11461","11464","10.1039/c4dt00905c","","","0.71073","MoKα","","0.0693","0.0679","","","0.1777","0.1789","","","","","","0.981","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7035184","11.566","0.001","11.566","0.001","16.035","0.003","90","","90","","120","","1857.7","0.4","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C27 H22 Cd N2 O4 S2 -","- C27 H22 Cd N2 O4 S2 -","- C81 H66 Cd3 N6 O12 S6 -","3","0.5","","Sun, Yan-Qiong; Zhong, Jie-Cen; Ding, Ling; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of chiral 3D Cd(ii) frameworks from achiral mixed flexible ligands by spontaneous resolution.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11852","11859","10.1039/c5dt01454a","","","0.71073","MoKα","","0.0954","0.0888","","","0.1913","0.196","","","","","","1.077","","","","has coordinates","143478","2020-10-21","18:00:00",""
"7035224","11.4201","0.0003","11.4201","0.0003","41.5158","0.0016","90","","90","","120","","4689","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C58 H56 Co3 N8 O20 -","- C58 H44 Co3 N8 O20 -","- C174 H132 Co9 N24 O60 -","3","0.5","","Xu, Zhong-Xuan; Kang, Yao; Han, Min-Le; Li, Dong-Sheng; Zhang, Jian","Integration of a semi-rigid proline ligand and 4,4'-bipyridine in the synthesis of homochiral metal-organic frameworks with helices.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11052","11056","10.1039/c5dt01151e","","","0.71073","MoKα","","0.0593","0.0541","","","0.1454","0.1488","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035806","23.945","0.002","23.945","0.002","17.1792","0.0016","90","","90","","120","","8530.3","1.3","120","","120","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C75 H57 Co8 N9 O42 -","- C75 H57 Co8 N9 O42 -","- C225 H171 Co24 N27 O126 -","3","0.5","","Yoo, Hyojong; Lee, Jeonghee; Kang, Philjae; Choi, Moon-Gun","Synthesis of cobalt cluster-based supramolecular triple-stranded helicates.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14213","14216","10.1039/c5dt01895a","","","0.71073","MoKα","","0.076","0.0577","","","0.156","0.17","","","","","","1.081","","","","has coordinates,has disorder","153229","2020-10-21","18:00:00",""
"7035807","23.9077","0.0005","23.9077","0.0005","17.2642","0.0005","90","","90","","120","","8545.8","0.4","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C76.28 H62 Co8.51 N9.43 O44.45 -","- C76.26 H61.94 Co8.513 N9.42 O44.446 -","- C228.78 H185.82 Co25.539 N28.26 O133.338 -","3","0.5","","Yoo, Hyojong; Lee, Jeonghee; Kang, Philjae; Choi, Moon-Gun","Synthesis of cobalt cluster-based supramolecular triple-stranded helicates.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14213","14216","10.1039/c5dt01895a","","","1.54178","CuKα","","0.083","0.0729","","","0.2014","0.2107","","","","","","1.095","","","","has coordinates,has disorder","153229","2020-10-21","18:00:00",""
"7036027","14.761","0.002","14.761","0.002","24.465","0.004","90","","90","","120","","4616.4","1.2","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C31 H39 Cl3 N2 Si -","- C31 H39 Cl3 N2 Si -","- C186 H234 Cl18 N12 Si6 -","6","1","","Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian","Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14959","14974","10.1039/c5dt01581b","","","0.71073","MoKα","","0.0626","0.0481","","","0.1232","0.1328","","","","","","1.037","","","","has coordinates,has disorder","161778","2020-10-21","18:00:00",""
"7036259","14.1418","0.0005","14.1418","0.0005","15.6028","0.0005","90","","90","","120","","2702.36","0.16","100","2","100","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C38 H62 O3 Sr -","- C38 H62 O3 Sr -","- C114 H186 O9 Sr3 -","3","0.5","","Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Zhao, Ning; Zi, Guofu; Walter, Marc D.","Preparation of enantiomerically pure open calcocene and strontocene complexes and their application in ring opening polymerizations of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16325","16331","10.1039/c5dt02851e","","","0.71073","MoKα","","0.0453","0.0403","","","0.0894","0.0919","","","","","","1.052","","","","has coordinates,has disorder","161637","2020-10-21","18:00:00",""
"7037465","13.7685","0.0019","13.7685","0.0019","22.892","0.005","90","","90","","120","","3758.3","1.1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H14 N O8 Tb -","- C16 H6 O8 Tb -","- C96 H36 O48 Tb6 -","6","1","","Zhao, Xiao-Lin; Tian, Dan; Gao, Qiang; Sun, Hong-Wei; Xu, Jian; Bu, Xian-He","A chiral lanthanide metal-organic framework for selective sensing of Fe(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1040","1046","10.1039/c5dt03283k","","","0.71073","MoKα","","0.0543","0.0418","","","0.0722","0.0754","","","","","","1.06","","","","has coordinates","176050","2020-10-21","18:00:00",""
"7038875","12.9013","0.0004","12.9013","0.0004","15.3095","0.0009","90","","90","","120","","2206.78","0.16","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C30 H24 Co N4 O6 -","- C30 H24 Co N4 O6 -","- C90 H72 Co3 N12 O18 -","3","0.5","","Wang, Yu-Ling; Chen, Lin; Liu, Cai-Ming; Du, Zi-Yi; Chen, Li-Li; Liu, Qing-Yan","3D chiral and 2D achiral cobalt(ii) compounds constructed from a 4-(benzimidazole-1-yl)benzoic ligand exhibiting field-induced single-ion-magnet-type slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7768","7775","10.1039/c6dt00676k","","","0.71073","MoKα","","0.0396","0.0286","","","0.0771","0.0919","","","","","","1.009","","","","has coordinates","182669","2020-10-21","18:00:00",""
"7040913","12.578","0.002","12.578","0.002","15.381","0.004","90","","90","","120","","2107.4","0.7","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C24 H24 N2 O8 Re2 S2 -","- C24 H24 N2 O8 Re2 S2 -","- C72 H72 N6 O24 Re6 S6 -","3","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.0257","0.0234","","","0.0434","0.0439","","","","","","1.103","","","","has coordinates","190152","2020-10-21","18:00:00",""
"7041841","21.9177","0.0003","21.9177","0.0003","12.2351","0.0003","90","","90","","120","","5090.12","0.16","120","2","120","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C44 H22 Cr2 Fe Mn2 N17 O24 -","- C44 H22 Cr2 Fe Mn2 N17 O24 -","- C132 H66 Cr6 Fe3 Mn6 N51 O72 -","3","0.5","","Sánchez-Sánchez, C; Desplanches, C.; Clemente-Juan, J M; Clemente-León, M; Coronado, E.","Photomagnetic properties of an Fe(ii) spin-crossover complex of 6-(3,5-diamino-2,4,6-triazinyl)-2,2'-bipyridine and its insertion into 2D and 3D bimetallic oxalate-based networks.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2680","2689","10.1039/c6dt04900a","","","0.71073","MoKα","","0.1583","0.125","","","0.3444","0.3809","","","","","","1.425","","","","has coordinates,has disorder","193786","2020-10-21","18:00:00",""
"7041949","9.213","0.0002","9.213","0.0002","33.5153","0.0007","90","","90","","120","","2463.63","0.09","293","2","293","2","","","","","","","synthetic","8","P 31 2 1","P 31 2""","152","","Bis(1-(4-(4-methoxyphenyl)thiazol-2-yl)-2-(pyridin-2-ylmethylene)hydrazin- 1-ide-cobalt(III) tetrafluoridoborate","","- C32 H26 B Co F4 N8 O2 S2 -","- C32 H26 B Co F4 N8 O2 S2 -","- C96 H78 B3 Co3 F12 N24 O6 S6 -","3","0.5","","Filipović, Nenad R; Elshaflu, Hana; Grubišić, Sonja; Jovanović, Ljiljana S; Rodić, Marko; Novaković, Irena; Malešević, Aleksandar; Djordjević, Ivana S; Li, Haidong; Šojić, Nešo; Marinković, Aleksandar; Todorović, Tamara R","Co(iii) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2910","2924","10.1039/c6dt04785h","","x-ray","0.71073","MoKα","","0.0565","0.0543","","","0.1499","0.1519","","","","","","1.078","","","","has coordinates","193843","2020-10-21","18:00:00",""
"7042996","12.7557","0.0004","12.7557","0.0004","30.637","0.0008","90","","90","","120","","4317","0.2","120","1","120","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C45 H69 N3 O16 Zn4 -","- C40 H58 N2 O15 Zn4 -","- C120 H174 N6 O45 Zn12 -","3","0.5","","Llabres, Pedro; Pitarch-Jarque, Javier; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; García-España, Enrique","Bicyclo[2.2.2]octane-1,4-dicarboxylic acid: Towards Transparent Metal-Organic Frameworks.","Dalton Trans.","2017","","","","","10.1039/C7DT00855D","","x-ray","0.71073","MoKα","","0.0758","0.0636","","","0.1646","0.1745","","","","","","1.064","","","","has coordinates,has disorder","196732","2020-10-21","18:00:00",""
"7043554","17.377","0.01","17.377","0.01","10.73","0.006","90","","90","","120","","2806","3","100","","100","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C12.5 H20.5 Cl0.5 Co N6 O7.5 -","- C9.5 H9.5 Cl0.5 Co N5 O4.5 -","- C57 H57 Cl3 Co6 N30 O27 -","6","1","","Yan, Yang-Tian; Zhang, Si-Si; Yang, Guo-Ping; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu","The influence of coordination modes and active sites of a 5-(triazol-1-yl) nicotinic ligand on the assembly of diverse MOFs","Dalton Trans.","2017","","","","","10.1039/C7DT01523B","","","0.71073","MoKα","","0.0647","0.0563","","","0.1522","0.1569","","","","","","1.052","","","","has coordinates,has disorder","198617","2020-10-21","18:00:00",""
"7045235","10.651","0.0003","10.651","0.0003","11.0943","0.0003","90","","90","","120","","1089.96","0.05","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C3.6 H4.2 Mn1.2 O8.4 Ti0.6 -","- C3.6 H4.2 Mn1.2 O8.4 Ti0.6 -","- C18 H21 Mn6 O42 Ti3 -","5","0.833333","","Chen, Shuai; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian","Hydrogen bond-assisted homochiral lattice packing between inorganic helices built from heterometallic units.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2134","2137","10.1039/c7dt04112h","","","0.71073","MoKα","","0.023","0.0215","","","0.0511","0.0517","","","","","","1.085","","","","has coordinates","229799","2020-10-21","18:00:00",""
"7045496","10.9149","0.0007","10.9149","0.0007","24.7765","0.0018","90","","90","","120","","2556.3","0.3","130","2","130","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","'tBuFOMeAu(I)'","","- C36 H44 Au2 Fe2 N2 O2 -","- C36 H44 Au2 Fe2 N2 O2 -","- C108 H132 Au6 Fe6 N6 O6 -","3","0.5","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0252","0.022","","","0.0354","0.0359","","","","","","1.046","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7049043","13.8165","0.0016","13.8165","0.0016","22.984","0.003","90","","90","","120","","3799.7","0.8","296","2","296.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C16 H6 Eu O8 -","- C16 H6 Eu O8 -","- C96 H36 Eu6 O48 -","6","1","","Pan, Yue; Su, Hai-Quan; Zhou, En-Long; Yin, Hong-Zong; Shao, Kui-Zhan; Su, Zhong-Min","A stable mixed lanthanide metal-organic framework for highly sensitive thermometry.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3723","3729","10.1039/c9dt00217k","","x-ray","0.71073","MoKα","","0.0389","0.0277","","","0.0566","0.0598","","","","","","0.927","","","","has coordinates","224538","2020-10-21","18:00:00",""
"7049044","13.825","0.005","13.825","0.005","22.984","0.005","90","","90","","120","","3804","2","293","2","293.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C16 H6 O8 Tb -","- C16 H6 O8 Tb -","- C96 H36 O48 Tb6 -","6","1","","Pan, Yue; Su, Hai-Quan; Zhou, En-Long; Yin, Hong-Zong; Shao, Kui-Zhan; Su, Zhong-Min","A stable mixed lanthanide metal-organic framework for highly sensitive thermometry.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3723","3729","10.1039/c9dt00217k","","x-ray","0.71069","MoKα","","0.0451","0.0293","","","0.0553","0.0593","","","","","","0.946","","","","has coordinates","224538","2020-10-21","18:00:00",""
"7050099","8.2121","0.0002","8.2121","0.0002","48.6159","0.0014","90","","90","","120","","2839.34","0.13","296","2","296","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C19 H60 N18 O10 -","- C19 H60 N18 O10 -","- C57 H180 N54 O30 -","3","0.5","","Lee, Sang-Ok; Kariuki, Benson M.; Harris, Kenneth D. M.","Hydrogen-bonded chains of α,ω-diaminoalkane and α,ω-dihydroxyalkane guest molecules lead to disrupted tunnel structures in urea inclusion compounds","New Journal of Chemistry","2005","29","10","1266","","10.1039/b502004m","","","1.54178","CuKα","","0.0773","0.0692","","","0.2056","0.216","","","","","","1.037","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7051973","13.3963","0.0001","13.3963","0.0001","31.0233","0.0005","90","","90","","120","","4821.57","0.09","120","2","120","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C32 H45 Cl O9 -","- C32 H45 Cl O9 -","- C192 H270 Cl6 O54 -","6","1","","Othman, Abdullah; Harris, Robin K.; Hodgkinson, Paul; Christopher, Elizabeth A.; Lancaster, Robert W.","Structural characterisation of two pharmaceutically important steroids by solid-state NMR","New Journal of Chemistry","2008","32","10","1796","","10.1039/b803586e","","","0.71073","Mo-Kα","","0.0545","0.0499","","","0.1354","0.1393","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052162","14.1796","0.0013","14.1796","0.0013","25.007","0.002","90","","90","","120","","4354.3","0.7","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","bis(mu2-R,R-N,N'-(2-methyl-8-methoxyquinoline)-1,2-trans-cyclohexanedi-imine) -di-copper(i) diperchlorate","","","- C56 H56 Cl2 Cu2 N8 O12 -","- C56 H56 Cl2 Cu2 N8 O12 -","- C168 H168 Cl6 Cu6 N24 O36 -","3","0.5","","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","","0.1557","0.089","","","0.2429","0.2853","","","","","","0.974","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7054625","7.42","0.0009","7.42","0.0009","12.11","0.002","90","","90","","120","","577.41","0.14","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C2 H8 O8 Zn -","- C2 H8 O8 Zn -","- C6 H24 O24 Zn3 -","3","0.5","","Mei, Hong-Xin; Zhang, Ting; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","A Zn-oxalate helix linked by a water helix: spontaneous chiral resolution of a Zn helical coordination polymer","New J. Chem.","2015","39","3","2075","","10.1039/C4NJ02017K","","","0.71073","MoKα","","0.0483","0.0442","","","0.1156","0.1227","","","","","","0.94","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7056345","9.6685","0.0004","9.6685","0.0004","27.3428","0.0007","90","","90","","120","","2213.56","0.14","150","2","150.01","0.1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C34 H28 Fe2 N6 O5 -","- C34 H28 Fe2 N6 O5 -","- C102 H84 Fe6 N18 O15 -","3","0.5","","Yadav, Reena; SINGH, AMITA; Kociok-Kohn, Gabriele; Chauhan, Ratna; Kumar, Abhinav; Gosavi, Suresh W.","Ferrocenyl Benzimidazole with Carboxylic and Nitro Anchors as Potential Sensitizers in Dye-Sensitized Solar Cells","New J. Chem.","2017","","","","","10.1039/C7NJ01464C","","x-ray","0.71073","MoKα","","0.1043","0.0686","","","0.1579","0.1747","","","","","","1.054","","","","has coordinates","198024","2020-10-21","18:00:00",""
"7058509","12.8267","0.0008","12.8267","0.0008","33.368","0.002","90","","90","","120","","4754.3","0.5","301","2","301","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","Compound 2","","- Cl N8 Na5 O64 V18 -","- Cl N8 Na5 O64 V18 -","- Cl3 N24 Na15 O192 V54 -","3","0.5","","Mulkapuri, Sateesh; Kurapati, Sathish Kumar; Mukhopadhyay, Subhabrata -; Das, Samar K.","A fully reduced {V18IVO42} host and VO43‒, Cl‒ as guest anions: synthesis, characterization and proton conductivity","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01918A","","","0.71073","MoKα","","0.0296","0.0291","","","0.0809","0.0811","","","","","","1.105","","","","has coordinates","216440","2020-10-21","18:00:00",""
"7061306","13.3668","0.0006","13.3668","0.0006","20.7353","0.001","90","","90","","120","","3208.5","0.3","293","","293","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C26 H18 Co N4 O3 -","- C26 H18 Co N4 O3 -","- C156 H108 Co6 N24 O18 -","6","1","","Raj, Manaswini; Padhi, Sumanta Kumar","Electrocatalytic proton reduction by dinuclear cobalt complexes in a nonaqueous electrolyte","New Journal of Chemistry","2022","46","13","6027","6038","10.1039/D1NJ06003A","","x-ray","0.71073","MoKα","","0.0547","0.042","","","0.0965","0.1029","","","","","","1.0481","","","","has coordinates","275022","2022-05-05","20:45:08",""
"7101245","15.2573","0.0009","15.2573","0.0009","21.4188","0.0018","90","","90","","120","","4318","0.5","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C52 H40 Ag2 Cl1.67 N12.33 O7.67 -","- C52 H40 Ag2 Cl1.66 N12.34 O7.65 -","- C156 H120 Ag6 Cl4.98 N37.02 O22.95 -","3","0.5","","Sun, Qiaozhen; Bai, Yan; He, Guangjie; Duan, Chunying; Lin, Zhihua; Meng, Qingjin","Spontaneous resolution of silver double helicates consisting of achiral ligands with several aromatic rings","Chemical Communications (Cambridge, United Kingdom)","2006","","26","2777","2779","10.1039/b604066g","","","0.71073","MoKα","","0.1639","0.0608","","","0.1065","0.1187","","","","","","1.041","","","","has coordinates,has disorder","208978","2020-10-21","18:00:00",""
"7101247","14.165","0.001","14.165","0.001","23.145","0.003","90","","90","","120","","4021.8","0.7","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C46 H46 Ag2 N18 O9 -","- C46 H36 Ag2 N18 O9 -","- C138 H108 Ag6 N54 O27 -","3","0.5","","Sun, Qiaozhen; Bai, Yan; He, Guangjie; Duan, Chunying; Lin, Zhihua; Meng, Qingjin","Spontaneous resolution of silver double helicates consisting of achiral ligands with several aromatic rings","Chemical Communications (Cambridge, United Kingdom)","2006","","26","2777","2779","10.1039/b604066g","","","0.71073","MoKα","","0.0833","0.0609","","","0.1567","0.1673","","","","","","1.037","","","","has coordinates,has disorder","208978","2020-10-21","18:00:00",""
"7102033","9.4428","0.0002","9.4428","0.0002","24.7664","0.0007","90","","90","","120","","1912.47","0.08","150","1","150","1","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C14 H32 Cu F6 N6 O7 S2 -","- C14 H32 Cu F6 N6 O7 S2 -","- C42 H96 Cu3 F18 N18 O21 S6 -","3","0.5","","Cruz-Campa, Itzia; Arzola, Alejandro; Santiago, Lynn; Parsons, Jason G; Varela-Ramirez, Armando; Aguilera, Renato J; Noveron, Juan C","A novel class of metal-directed supramolecular DNA-delivery systems.","Chemical communications (Cambridge, England)","2007","","28","2944","2946","10.1039/b703201c","","","0.71073","MoKα","","0.037","0.0324","","","0.0739","0.0765","","","","","","1.049","","","","has coordinates","180122","2020-10-21","18:00:00",""
"7102287","21.3675","0.001","21.3675","0.001","27.279","0.003","90","","90","","120","","10786.1","1.3","100","2","100","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C156 H112 Ag4 F24 N4 O8 Sb4 -","- C156 H112 Ag4 F24 N4 O8 Sb4 -","- C468 H336 Ag12 F72 N12 O24 Sb12 -","3","0.5","","Sun, Yan-Qiong; He, Jun; Xu, Zhengtao; Huang, Guo; Zhou, Xiao-Ping; Zeller, Matthias; Hunter, Allen D","Centripetal molecules as multifunctional building blocks for coordination networks.","Chemical communications (Cambridge, England)","2007","","45","4779","4781","10.1039/b709942h","","","0.71073","MoKα","","0.0685","0.0654","","","0.1626","0.1662","","","","","","1.233","","","","has coordinates,has disorder","180124","2020-10-21","18:00:00",""
"7103444","10.6124","0.0015","10.6124","0.0015","39.273","0.008","90","","90","","120","","3830.5","1.1","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","Bis-[2,6-bis-(N-{4-methylcarboxyphenyl}methyl)carbaldimino}pyridine]- copper(II) ditetrafluoroborate nitromethane solvate","","- C51 H49 B2 Cu F8 N7 O10 -","- C51 H49 B2 Cu F8 N7 O10 -","- C153 H147 B6 Cu3 F24 N21 O30 -","3","0.5","","Salaudeen, A Abibat; Kilner, Colin A; Halcrow, Malcolm A","A crystalline hydrogen-bonded network with a poly-catenate topology.","Chemical communications (Cambridge, England)","2008","","41","5200","5202","10.1039/b810393c","","","0.71073","MoKα","","0.0578","0.0492","","","0.1315","0.137","","","","","","1.041","","","","has coordinates,has disorder","180137","2020-10-21","18:00:00",""
"7107297","13.115","0.0019","13.115","0.0019","25.527","0.005","90","","90","","120","","3802.5","1.1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- As2 Cl Cs5 O42.6 V14 -","- As2 Cl Cs5 O42.6 V14 -","- As6 Cl3 Cs15 O127.8 V42 -","3","0.5","","Wendy L. Queen; J. Palmer West; Shiou-Jyh Hwu; Thanh Thao Tran; P. Shiv Halasyamani; Don VanDerveer","Symmetry preservation in a new noncentrosymmetric lattice comprised of acentric POM clusters residing in bowls of Cs+ -based half SOD B-cage","Chem.Commun.","2012","48","","1665","","10.1039/c1cc16264k","","","0.71073","MoKα","","0.0773","0.0652","","","0.1699","0.1838","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107485","12.072","0.001","12.072","0.001","22.609","0.001","90","","90","","120","","2853.5","0.4","150","0.1","150","0.1","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C37 H40 Cl2 O3 P2 S2 Zr -","- C33 H32 Cl2 O2 P2 S2 Zr -","- C99 H96 Cl6 O6 P6 S6 Zr3 -","3","0.5","","Marie Fustier-Boutignon; Hadrien Heuclin; Xavier Frederic Le Goff; Nicolas Mezailles","Transmetalation of Nucleophilic Carbene Fragment: from Early to Late Transition Metals","Chem.Commun.","2012","48","","3306","3308","10.1039/c2cc17934b","","","0.71069","MoKα","","0.0335","0.0326","","","0.0939","0.0945","","","","","","1.128","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107542","11.1665","0.0005","11.1665","","22.5811","0.001","90","","90","","120","","2438.43","0.15","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 31 2 1","P 31 2""","152","","","","- C24 H36 Cl2 Fe N4 O11 -","- C24 H36 Cl2 Fe N4 O11 -","- C72 H108 Cl6 Fe3 N12 O33 -","3","0.5","","Baptiste Plancq; Thierry Ollevier","Iron(II)-catalyzed enantioselective meso-epoxide-opening with anilines","Chem.Commun.","2012","48","","3806","","10.1039/c2cc18032d","","","1.54178","CuKα","","0.0559","0.0497","","","0.1306","0.1373","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7107545","11.883","0.002","11.883","0.002","18.066","0.003","90","","90","","120","","2209.2","0.6","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","uranium methylenediphosphonate","","","- C H0 O8 P2 U -","- C H2 O8 P2 U -","- C6 H12 O48 P12 U6 -","6","1","","Juan Diwu; Thomas Albrecht-Schmitt","Chiral Uranium Phosphonates Constructed from Achiral Units with High Porosity Frameworks","Chem.Commun.","2012","48","","3827","","10.1039/c2cc30519d","","","0.71073","MoKα","","0.0498","0.0355","","","0.0652","0.0683","","","","","","0.887","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7108723","13.9329","0.0009","13.9329","0.0009","28.159","0.003","90","","90","","120","","4734","0.7","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H34 N4 Se7 Sn3 -","- Se7 Sn3 -","- Se42 Sn18 -","6","1","","Jian-Rong Li; Wei-Wei Xiong; Zai-Lai Xie; Cheng-Feng Du; Guo-Dong Zou; Xiao-Ying Huang","From selenidostannates to silver-selenidostannate: structural variation of chalcogenidometallates synthesized in ionic liquids","Chem.Commun.","2013","49","","181","","10.1039/c2cc37051d","","","0.71073","MoKα","","0.0639","0.0442","","","0.1059","0.1123","","","","","","1.031","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7110073","9.3415","0.0005","9.3415","0.0005","6.9955","0.0008","90","","90","","120","","528.67","0.07","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-1","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.043","0.0394","","","0.1028","0.1053","","","","","","1.032","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110074","9.3421","0.0014","9.3421","0.0014","6.996","0.002","90","","90","","120","","528.77","0.19","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-2","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.0386","0.034","","","0.0904","0.0942","","","","","","1.019","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110075","9.3411","0.0013","9.3411","0.0013","6.9932","0.0019","90","","90","","120","","528.45","0.18","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-3","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.0314","0.0297","","","0.0805","0.0819","","","","","","1.061","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110076","9.3392","0.0003","9.3392","0.0003","6.9942","0.0004","90","","90","","120","","528.31","0.04","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-4","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.0271","0.0262","","","0.0728","0.0735","","","","","","1.098","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110077","9.362","0.003","9.362","0.003","7.004","0.005","90","","90","","120","","531.6","0.4","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-5","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.0372","0.0327","","","0.0883","0.0922","","","","","","1.082","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110078","9.3425","0.0002","9.3425","0.0002","6.994","0.0003","90","","90","","120","","528.67","0.03","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-6","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.0282","0.0271","","","0.0755","0.0761","","","","","","1.097","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110079","9.3376","0.0004","9.3376","0.0004","6.991","0.0007","90","","90","","120","","527.89","0.06","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-7","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.033","0.0303","","","0.0815","0.0834","","","","","","1.081","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7110080","9.3429","0.0004","9.3429","0.0004","6.9927","0.0006","90","","90","","120","","528.61","0.06","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-8","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.0342","0.0317","","","0.0881","0.0902","","","","","","1.055","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110926","13.69","0.002","13.69","0.002","63.88","0.009","90","","90","","120","","10368","3","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C108 H152 Co5 N18 O42 S5 -","- C108 H108 Co5 N18 O42 S5 -","- C324 H324 Co15 N54 O126 S15 -","3","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","Chiral packing of chiral quintuple layers polycatenated to give a three-dimensional network in the coordination polymer [Co5(bpe)9(H2O)8(SO4)4](SO4)·14H2O [bpe = 1,2-bis(4-pyridyl)ethane]","Chemical Communications","2000","","14","1319","","10.1039/b002021o","","","0.71073","MoKα","","0.0921","0.088","","0.2489","0.2458","","","","1.133","","","","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7110943","18.551","0.003","18.551","0.003","18.0135","0.0016","90","","90","","120","","5368.6","1.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C52 H72 Cu4 N4 O26 -","- C52 H70 Cu4 N4 O26 -","- C156 H210 Cu12 N12 O78 -","3","0.5","","Fragoso, Alex; Kahn, Myrtil L.; Sutter, Jean-Pascal; Kahn, Olivier; Cao, Roberto; Castiñeiras, Alfonso","Chiral channels in a 3-D network of self-assembled tetranuclear copper(ii) aggregates","Chemical Communications","2000","","16","1547","","10.1039/b002360o","","","1.54184","CuKα","","0.0931","0.0541","","","0.1339","0.1476","","","","","","1.003","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7112562","9.3923","0.0003","9.3923","0.0003","67.355","0.003","90","","90","","120","","5145.7","0.3","293","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C16 H26 K N O1.5 -","- C16 H26 K N O1.5 -","- C192 H312 K12 N12 O18 -","12","2","","Unkelbach, Christian; Rosenbaum, Hannah S.; Strohmann, Carsten","Direct benzylic metalation of a phenethylamine derivative: potassium as the key to both generation and stabilization of a labile anion.","Chemical communications (Cambridge, England)","2012","48","86","10612","10614","10.1039/c2cc35888c","","","0.71073","MoKα","","0.1609","0.1111","","","0.3274","0.3522","","","","","","1.016","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7113082","14.0399","0.0008","14.0399","0.0008","28.1188","0.0016","90","","90","","120","","4800.2","0.5","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C74 H98 N4 O Si2 -","- C74 H98 N4 O Si2 -","- C222 H294 N12 O3 Si6 -","3","0.5","","Sen, Sakya S.; Roesky, Herbert W.; Meindl, Kathrin; Stern, Daniel; Henn, Julian; Stückl, A Claudia; Stalke, Dietmar","Synthesis, structure, and theoretical investigation of amidinato supported 1,4-disilabenzene.","Chemical communications (Cambridge, England)","2010","46","32","5873","5875","10.1039/c0cc01753a","","","0.71073","MoKα","","0.0644","0.062","","","0.1755","0.1781","","","","","","1.071","","","","has coordinates,has disorder","180244","2020-10-21","18:00:00",""
"7115993","21.9687","0.0002","21.9687","0.0002","19.0989","0.0003","90","","90","","120","","7982.66","0.16","133","2","133.15","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C68 H132 Dy6 Mo4 N6 O58 -","- C68 H96 Dy6 Mo4 N6 O40 -","- C204 H288 Dy18 Mo12 N18 O120 -","3","0.5","","Yong Zheng; Yin-Yin Pan; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Reversible transformation between chiral and achiral Dy6Mo4 clusters through a symmetric operation","Chem.Commun.","2014","50","","14728","","10.1039/C4cc07047J","","","0.71073","MoKα","","0.0447","0.0384","","","0.0836","0.0859","","","","","","1.065","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115995","21.761","0.003","21.761","0.003","19.354","0.004","90","","90","","120","","7937","2","173","2","173.15","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C65 H120 Gd6 Mo4 N6 O55 -","- C64 H86 Gd6 Mo4 N6 O40 -","- C192 H258 Gd18 Mo12 N18 O120 -","3","0.5","","Yong Zheng; Yin-Yin Pan; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Reversible transformation between chiral and achiral Dy6Mo4 clusters through a symmetric operation","Chem.Commun.","2014","50","","14728","","10.1039/C4cc07047J","","","0.71073","MoKα","","0.14","0.0795","","","0.174","0.1967","","","","","","1.009","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7117595","10.7197","0.0007","10.7197","0.0007","23.0839","0.0012","90","","90","","120","","2297.2","0.2","293","2","293","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C9 H16 Cl Cu0.5 N O6 S2 -","- C9 H16 Cl Cu0.5 N O6 S2 -","- C54 H96 Cl6 Cu3 N6 O36 S12 -","6","1","","Rancan, Marzio; Armelao, Lidia","Exploiting dimensional variability in coordination polymers: solvent promotes reversible conversion between 3D and chiral 1D architectures.","Chemical communications (Cambridge, England)","2015","51","65","12947","12949","10.1039/c5cc04349b","","","0.71073","MoKα","","0.0382","0.0328","","","0.0845","0.0877","","","","","","1.061","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7119448","10.2422","0.0002","10.2422","0.0002","24.9887","0.0006","90","","90","","120","","2270.18","0.08","110","2","110","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C24 H32 F12 N6 P2 Ru -","- C24 H32 F12 N6 P2 Ru -","- C72 H96 F36 N18 P6 Ru3 -","3","0.5","","Yanay; Popowski; Israel; Goldberg; Moshe; Kol","The stereoselectivity of bipyrrolidine-based sequential polydentate ligands around Ru(II)","Chem.Commun.","2016","52","","7932","","","","","0.71073","MoKα","","0.0199","0.0196","","","0.0474","0.0476","","","","","","1.071","","","","has coordinates","190514","2020-10-21","18:00:00",""
"7120282","11.2302","0.0002","11.2302","0.0002","76.8595","0.0016","90","","90","","120","","8394.7","0.3","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C30 H18 Br Cl F3 N O7 -","- C30 H18 Br Cl F3 N O7 -","- C360 H216 Br12 Cl12 F36 N12 O84 -","12","2","","Yang, Shu-Mei; Ganapuram, Madhusudhan Reddy; Wang, Tzu-Ping; Yeh, Yu-Sheng; Wang, Min; Lin, Wenwei","An Enantioselective Cascade for Simultaneous Generation of Five Quaternary Stereocenters from Fully Substituted Enones","Chem. Commun.","2017","","","","","10.1039/C7CC03995F","","","1.54178","CuKα","","0.0413","0.0411","","","0.1065","0.1066","","","","","","1.081","","","","has coordinates,has disorder","197867","2020-10-21","18:00:00",""
"7122681","18.3008","0.0005","18.3008","0.0005","15.285","0.0006","90","","90","","120","","4433.4","0.2","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C30 H18 Co N6 S2 -","- C30 H18 Co N6 S2 -","- C90 H54 Co3 N18 S6 -","3","0.5","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: from a rigid achiral organic tecton to 3D chiral Co and Fe coordination networks” that I propose for publication in Chemical Communications","Chemical Communications","2018","","","","","10.1039/C8CC08877B","","","0.71073","MoKα","","0.0696","0.044","","","0.078","0.0828","","","","","","1.117","","","","has coordinates","212355","2020-10-21","18:00:00",""
"7122682","18.3693","0.0008","18.3693","0.0008","15.2441","0.0006","90","","90","","120","","4454.7","0.3","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C30 H18 Fe N6 S2 -","- C30 H18 Fe N6 S2 -","- C90 H54 Fe3 N18 S6 -","3","0.5","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: from a rigid achiral organic tecton to 3D chiral Co and Fe coordination networks” that I propose for publication in Chemical Communications","Chemical Communications","2018","","","","","10.1039/C8CC08877B","","","0.71073","MoKα","","0.0882","0.0399","","","0.0645","0.0717","","","","","","1.018","","","","has coordinates","212355","2020-10-21","18:00:00",""
"7123357","19.6416","0.0003","19.6416","0.0003","23.8212","0.0006","90","","90","","120","","7958.8","0.3","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C129 H144 N6 O6 -","- C129 H144 N6 O6 -","- C387 H432 N18 O18 -","3","0.5","","Hooper, Reagan; Mason, Alexander; Montgomery, Maleek; Clinebell, Braden; Gaynor, Ryan; McMillen, Colin; Tapu, Daniela","A stable Cerberus tris(maloNHC) and its coinage metal complexes","Chemical Communications","2019","","","","","10.1039/C9CC01892A","","","1.54178","CuKα","","0.08","0.0628","","","0.1494","0.1619","","","","","","1.066","","","","has coordinates,has disorder","214856","2020-10-21","18:00:00",""
"7124858","13.2466","0.0004","13.2466","0.0004","38.4491","0.0011","90","","90","","120","","5842.9","0.3","123","0.2","123","0.2","","","","","","","","10","P 31 2 1","P 31 2""","152","","","","- C55.18 H49.76 B2 Cl3.96 Cu2 F8 Mo4 N4.6 O8 P4 -","- C55.18 H49.76 B2 Cl3.96 Cu2 F8 Mo4 N4.6 O8 P4 -","- C165.54 H149.28 B6 Cl11.88 Cu6 F24 Mo12 N13.8 O24 P12 -","3","0.5","","Elsayed Moussa, M.; Attenberger, B.; Peresypkina, E. V.; Fleischmann, M.; Balázs, G; Scheer, M.","Facile synthesis of one-dimensional organometallic-organic hybrid polymers based on a diphosphorus complex and flexible bipyridyl linkers.","Chemical communications (Cambridge, England)","2016","52","65","10004","10007","10.1039/c6cc05224j","","x-ray","1.54184","CuKα","","0.0785","0.0636","","","0.1757","0.1851","","","","","","0.996","","","","has coordinates,has disorder","234298","2020-10-21","18:00:00",""
"7126248","7.1576","0.0001","7.1576","0.0001","37.3509","0.0003","90","","90","","120","","1657.17","0.04","298.98","0.13","298.98","0.13","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C9 H11 N O5 S -","- C9 H11 N O5 S -","- C54 H66 N6 O30 S6 -","6","1","","Liu, Gongyi; Zhang, Xianghe; Wang, Heng; Cong, Hengjiang; Zhang, Xumu; Dong, Xiu-Qin","Synthesis of chiral α-substituted α-amino acid and amine derivatives through Ni-catalyzed asymmetric hydrogenation.","Chemical communications (Cambridge, England)","2020","56","36","4934","4937","10.1039/d0cc01220c","","x-ray","1.54184","CuKα","","0.0248","0.0244","","","0.0682","0.0685","","","","","","1.084","","","","has coordinates","252718","2020-10-21","18:00:00",""
"7126761","12.8198","0.0001","12.8198","0.0001","27.9907","0.0005","90","","90","","120","","3983.89","0.08","85","2","85","2","","","","","","","","3","P 31 2 1","P 31 2""","152","(S,S,S)-SPIROL","(1S,3S,3'S)-3,3'-diethyl-3H,3'H-1,1'-spirobi[isobenzofuran]-7,7'-diol","","- C19 H20 O4 -","- C19 H20 O4 -","- C171 H180 O36 -","9","1.5","","Sun, Siyuan; Nagorny, Pavel","Exploration of chiral diastereomeric spiroketal (SPIROL)-based phosphinite ligands in asymmetric hydrogenation of heterocycles.","Chemical communications (Cambridge, England)","2020","56","60","8432","8435","10.1039/d0cc03088k","","","1.54184","CuKα","","0.0474","0.047","","","0.1248","0.1253","","","","","","1.062","","","","has coordinates","254899","2020-10-21","18:00:00",""
"7128951","19.0123","0.0005","19.0123","0.0005","12.4699","0.0004","90","","90","","120","","3903.58","0.19","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C114 H150 Mn6 N54 O30 W3 -","- C114 H150 Mn6 N54 O30 W3 -","- C114 H150 Mn6 N54 O30 W3 -","1","0.166667","","Magott, Michał; Pinkowicz, Dawid","Chiral porous CN-bridged coordination polymer mimicking MOF-74 and showing magnetization photoswitching.","Chemical communications (Cambridge, England)","2021","57","77","9926","9929","10.1039/d1cc03870b","","","0.71073","MoKα","","0.0708","0.0534","","","0.1053","0.1125","","","","","","1.039","","","","has coordinates","269624","2021-10-06","13:49:31",""
"7128952","18.6385","0.0004","18.6385","0.0004","12.3021","0.0003","90","","90","","120","","3701.11","0.14","30","2","30","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C22.8 H30 Mn1.2 N10.8 W0.6 -","- C22.8 H30 Mn1.2 N10.8 W0.6 -","- C114 H150 Mn6 N54 W3 -","5","0.833333","","Magott, Michał; Pinkowicz, Dawid","Chiral porous CN-bridged coordination polymer mimicking MOF-74 and showing magnetization photoswitching.","Chemical communications (Cambridge, England)","2021","57","77","9926","9929","10.1039/d1cc03870b","","","0.6889","synchrotron","","0.0774","0.0629","","","0.1657","0.1762","","","","","","1.059","","","","has coordinates,has disorder","269624","2021-10-06","13:49:33",""
"7129110","26.433","0.002","26.433","0.002","22.1827","0.0013","90","","90","","120","","13422.6","1.6","100","","100","","","","","","","","","6","P 31 2 1","P 31 2""","152","","IR-LT-020(9.28)","","- C126 H108 B7 F34 Fe6 N32 -","- C126 H108 B7 F34 Fe6 N32 -","- C378 H324 B21 F102 Fe18 N96 -","3","0.5","","Taylor, Lauren L. K.; Vitorica-Yrezabal, Iñigo J; Borilović, Ivana; Tuna, Floriana; Riddell, Imogen A.","Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states.","Chemical communications (Cambridge, England)","2021","57","85","11252","11255","10.1039/d1cc04413c","","","0.6889","synchrotron","","0.1397","0.1094","","","0.2905","0.3273","","","","","","1.277","","","","has coordinates,has disorder","270380","2021-11-06","18:53:29",""
"7129112","26.679","0.003","26.679","0.003","21.8284","0.0011","90","","90","","120","","13455","2","100","","100","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C126 H108 B7 F34 Fe6 N32 -","- C126 H108 B7 F34 Fe6 N32 -","- C378 H324 B21 F102 Fe18 N96 -","3","0.5","","Taylor, Lauren L. K.; Vitorica-Yrezabal, Iñigo J; Borilović, Ivana; Tuna, Floriana; Riddell, Imogen A.","Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states.","Chemical communications (Cambridge, England)","2021","57","85","11252","11255","10.1039/d1cc04413c","","","0.6889","synchrotron","","0.1572","0.0789","","","0.2135","0.2678","","","","","","0.969","","","","has coordinates,has disorder","270380","2021-11-06","18:53:29",""
"7130189","8.636","0.0005","8.636","0.0005","34.785","0.002","90","","90","","120","","2246.7","0.2","293","2","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C38 H32 N2 O2 Zn -","- C38 H32 N2 O2 Zn -","- C114 H96 N6 O6 Zn3 -","3","0.5","","Ikeshita, Masahiro; Mizugaki, Momo; Ishikawa, Takahiro; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Sign control of circularly polarized luminescence of chiral Schiff-base Zn(II) complexes through coordination geometry changes","Chemical Communications","2022","","","","","10.1039/D2CC01959K","","","0.71073","MoKα","","0.0486","0.0366","","","0.0595","0.0619","","","","","","1.0673","","","","has coordinates,has disorder","275773","2022-06-03","21:54:11",""
"7132716","22.6518","0.0005","22.6518","0.0005","75.9558","0.0019","90","","90","","120","","33751.8","1.4","150","","150","","","","","","","","","9","P 31 2 1","P 31 2""","152","","","","- C20 H38 K16 N2 Na10.5 O218 P7 W39 Zr3 -","- C20 H24 K16 N2 Na10.5 O211 P7 W39 Zr3 -","- C120 H144 K96 N12 Na63 O1266 P42 W234 Zr18 -","6","1","","Yang, Dongsheng; Liu, Lihua; Zhang, Yunfan; Zhang, Miao; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A wheel-shaped Zr-substituted phosphotungstate [{Zr(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>}<sub>3</sub> (PO<sub>4</sub>)(P<sub>6</sub>W<sub>39</sub>O<sub>150</sub>)]<sup>39-</sup> with tunable proton conduction properties.","Chemical communications (Cambridge, England)","2024","60","22","3043","3046","10.1039/d4cc00216d","","","0.71073","MoKα","","0.0419","0.0399","","","0.0907","0.0916","","","","","","1.138","","","","has coordinates","290815","2024-04-04","22:29:40",""
"7133591","10.7948","0.0004","10.7948","0.0004","30.6951","0.0019","90","","90","","120","","3097.6","0.3","100","2","100","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","tris(3,5-di-t-butylphenyl)-dichloro-bismuth","","- C42 H63 Bi Cl2 -","- C42 H63 Bi Cl2 -","- C126 H189 Bi3 Cl6 -","3","0.5","","Kuziola, Jennifer; Nöthling, Nils; Leutzsch, Markus; Cornella, Josep","Synthesis and characterization of chlorotriarylbismuthonium salts.","Chemical communications (Cambridge, England)","2024","60","76","10532","10535","10.1039/d4cc03364g","","","0.71073","Mo-Kα","","0.0248","0.0241","","","0.0475","0.0478","","","","","","1.006","","","","has coordinates","295116","2024-10-06","05:30:06",""
"7151199","8.689","0.0005","8.689","0.0005","17.1794","0.0007","90","","90","","120","","1123.25","0.1","173","2","173","2","","","","","","","synthesis as described","3","P 31 2 1","P 31 2""","152","","","","- C15 H26 N6 -","- C15 H26 N6 -","- C45 H78 N18 -","3","0.5","","Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.","Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.","Organic & biomolecular chemistry","2007","5","24","3909","3911","10.1039/b715209d","","x-ray","0.71073","MoKα","","0.0401","0.0339","","","0.0821","0.0856","","","","","","1.081","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7153080","9.7691","0.0004","9.7691","0.0004","39.742","0.003","90","","90","","120","","3284.7","0.3","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C26 H21 Br N2 O2 -","- C26 H21 Br N2 O2 -","- C156 H126 Br6 N12 O12 -","6","1","","Zhang, Han-Ming; Lv, Hui; Ye, Song","N-Heterocyclic carbene-catalyzed highly enantioselective synthesis of substituted dihydropyranopyrazolones.","Organic & biomolecular chemistry","2013","11","37","6255","6257","10.1039/c3ob41455h","","","0.71073","MoKα","","0.0426","0.0393","","","0.0856","0.0872","","","","","","1.15","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153183","11.1187","0.0013","11.1187","0.0013","22.218","0.003","90","","90","","120","","2378.7","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 31 2 1","P 31 2""","152","","","","- C28 H46 Br2 Fe N2 O5 -","- C28 H46 Br2 Fe N2 O5 -","- C84 H138 Br6 Fe3 N6 O15 -","3","0.5","","Plancq, Baptiste; Lafantaisie, Mathieu; Companys, Simon; Maroun, Cendrella; Ollevier, Thierry","Highly enantioselective iron(ii)-catalyzed opening reaction of aromatic meso-epoxides with indoles.","Organic & biomolecular chemistry","2013","11","43","7463","7466","10.1039/c3ob41782d","","","1.54178","CuKα","","0.072","0.0383","","","0.0563","0.0605","","","","","","1.003","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153728","11.23757","0.0001","11.23757","0.0001","31.9939","0.0003","90","","90","","120","","3498.99","0.05","150","","150","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C162 H174 N6 O12 -","6","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0336","0.033","","0.0854","0.0849","0.0854","","","","","","1.0089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7157621","19.7672","0.0008","19.7672","0.0008","23.6968","0.0012","90","","90","","120","","8018.8","0.6","293","2","293.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C40 H35 N7 O12 -","- C40 H35 N7 O12 -","- C240 H210 N42 O72 -","6","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.1515","0.0819","","","0.2096","0.2662","","","","","","1.035","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7159983","14.3914","0.0001","14.3914","0.0001","27.1211","0.0001","90","","90","","120","","4864.57","0.05","108","5","108","5","","","","","","","synthesis","6","P 31 2 1","P 31 2""","152","","","","- C80.41 H60 Cl4 N4 O2 Zn -","- C80.406 H60 Cl4 N4 O2 Zn -","- C241.218 H180 Cl12 N12 O6 Zn3 -","3","0.5","","Kumar, Sundaravel Vivek; Olusegun, Jeremiah; Guiry, Patrick J.","Zn(II)-catalyzed asymmetric [3 + 2] cycloaddition of acyclic enones with azomethine ylides.","Organic & biomolecular chemistry","2024","22","35","7148","7153","10.1039/d4ob00854e","","x-ray","1.54184","CuKα","","0.0354","0.0351","","","0.0977","0.0981","","","","","","1.058","","","","has coordinates,has disorder","295338","2024-10-06","09:18:09",""
"7202006","11.2168","0.001","11.2168","0.001","19.176","0.004","90","","90","","120","","2089.4","0.5","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C14 H15 In3 N4 O20 -","- C14 H9 In3 N4 O20 -","- C42 H27 In9 N12 O60 -","3","0.5","","Han, Zheng-Bo; He, Yong-Ke; Tong, Ming-Liang; Song, Yong-Juan; Song, Xi-Ming; Yang, Li-Guo","Spontaneously resolved 3D homochiral In(III) coordination polymer with extended In-OH-In helical chains","CrystEngComm","2008","10","8","1070","","10.1039/b802226g","","","0.71073","MoKα","","0.0369","0.0352","","","0.0957","0.097","","","","","","1.131","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202510","25.531","0.005","25.531","0.005","14.907","0.005","90","0.005","90","0.005","120","0.005","8415","4","193","2","193","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C100 H126 N4 Ni2 O9 -","- C100 H126 N4 Ni2 O9 -","- C300 H378 N12 Ni6 O27 -","3","0.5","","Chen, Zhen-Feng; Zhang, Shu-Feng; Luo, Hai-Sheng; Abrahams, Brendan F.; Liang, Hong","Ni2(R*COO)4(H2O)(4,4?-bipy)2?a robust homochiral quartz-like network with large chiral channels","CrystEngComm","2007","9","1","27","","10.1039/b613047j","","","0.71073","MoKα","","0.0912","0.0769","","","0.1818","0.1892","","","","","","1.165","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202863","11.2742","0.0008","11.2742","0.0008","13.5885","0.0019","90","","90","","120","","1495.8","0.3","294","2","294","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C19 H18 N2 Ni O7 -","- C19 H18 N2 Ni O7 -","- C57 H54 N6 Ni3 O21 -","3","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.0367","0.0303","","","0.0697","0.0718","","","","","","1.044","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7203272","13.773","0.002","13.773","0.002","6.998","0.002","90","","90","","120","","1149.6","0.4","294","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C16.5 H27.5 O2 -","- C16.5 H28.5 O2 -","- C49.5 H85.5 O6 -","3","0.5","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.051","","","","0.067","","","","","","1.68","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7206483","18.19","0.009","18.19","0.009","11.78","0.005","90","","90","","120","","3376","3","110","","110","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C40 H47 K N4 Ni2 O10 -","- C40 H44 K N4 Ni2 O10 -","- C120 H132 K3 N12 Ni6 O30 -","3","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.1189","0.0862","","0.1274","0.0892","0.0859","","","","","","1.0524","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206831","13.37139","0.00006","13.37139","0.00006","41.4227","0.0002","90","","90","","120","","6413.9","0.05","173","2","173","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C37 H46 Br2 N6 O5.5 Zn -","- C37 H41.5 Br2 N6 O5.5 Zn -","- C222 H249 Br12 N36 O33 Zn6 -","6","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0253","0.0249","","","0.077","0.0772","","","","","","1.135","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208008","11.9088","0.0004","11.9088","0.0004","8.3166","0.0006","90","","90","","120","","1021.44","0.09","298","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0327","0.0315","","","0.0815","0.0826","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208010","11.8429","0.0011","11.8429","0.0011","8.2715","0.0014","90","","90","","120","","1004.7","0.2","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0432","0.0404","","","0.0983","0.1005","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208011","11.9194","0.0006","11.9194","0.0006","8.3261","0.0011","90","","90","","120","","1024.43","0.15","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0326","0.0305","","","0.0728","0.0741","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208012","11.9329","0.0013","11.9329","0.0013","8.3384","0.0018","90","","90","","120","","1028.3","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0343","0.0313","","","0.0711","0.0728","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208013","11.9072","0.0005","11.9072","0.0005","8.3161","0.0006","90","","90","","120","","1021.1","0.1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0254","0.0245","","","0.0647","0.0652","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208017","11.9109","0.0006","11.9109","0.0006","8.3215","0.0009","90","","90","","120","","1022.4","0.13","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0261","0.025","","","0.0595","0.0601","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210440","11.9375","0.0013","11.9375","0.0013","17.2686","0.0018","90","","90","","120","","2131.2","0.4","296","2","296","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C84 H90 Cd3 N12 O12 S6 -","- C84 H90 Cd3 N12 O12 S6 -","- C84 H90 Cd3 N12 O12 S6 -","1","0.166667","","Hou, Yuan-Feng; Yu, Yang; Yue, Ke-Fen; Wei, Qing; Liu, Yong-Liang; Zhou, Chun-Sheng; Wang, Yao-Yu","Two unique entangling ZnII/CdII coordination frameworks featuring multiform helical motifs based on long mixed ligands","CrystEngComm","2013","15","36","7161","","10.1039/c3ce41127c","","","0.71073","MoKα","","0.0527","0.0379","","","0.0971","0.111","","","","","","0.905","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7214301","11.44","0.002","11.44","0.002","24.485","0.004","90","","90","","120","","2775.1","0.8","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C38 H32 Cu2 N10 O4 Zn -","- C38 H32 Cu2 N10 O4 Zn -","- C114 H96 Cu6 N30 O12 Zn3 -","3","0.5","","Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh","Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies","CrystEngComm","2014","16","14","3029","","10.1039/c3ce42027b","","","0.71073","MoKα","","0.0484","0.0368","","","0.0832","0.0911","","","","","","0.945","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7215879","7.2835","0.0005","7.2835","0.0005","13.2453","0.0007","90","","90","","120","","608.52","0.07","120","2","120","2","","","","","","","","5","P 31 2 1","P 31 2""","152","caesium rubidium D,L-tartrate","","","- C4 H4 Cs O6 Rb -","- C4 H4 Cs O6 Rb -","- C12 H12 Cs3 O18 Rb3 -","3","0.5","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.","Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates","CrystEngComm","2014","","","","","10.1039/c4ce00291a","","","0.71073","MoKα","","0.0276","0.0259","","","0.0621","0.0627","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217807","8.8263","0.0012","8.8263","0.0012","9.91","0.002","90","","90","","120","","668.59","0.19","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C4 H7 N3 O7.5 Pr -","- C4 N3 O7.53 Pr -","- C12 N9 O22.59 Pr3 -","3","0.5","","Zhang, Xiaoping; Xu, Na; Zhang, Shiyuan; Zhao, Xiao-Qing; Cheng, Peng","From 1D Zigzag Chains to 3D Chiral Frameworks: Synthesis and Properties of Praseodymium(III) and Neodymium(III) Coordination Polymers","RSC Advances","2014","","","","","10.1039/C4RA06629D","","","0.71073","MoKα","","0.0151","0.015","","","0.0372","0.0373","","","","","","1.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217808","8.7561","0.0012","8.7561","0.0012","9.855","0.002","90","","90","","120","","654.35","0.18","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C4 H7 N3 Nd O7.5 -","- C4 N3 Nd O7.54 -","- C12 N9 Nd3 O22.62 -","3","0.5","","Zhang, Xiaoping; Xu, Na; Zhang, Shiyuan; Zhao, Xiao-Qing; Cheng, Peng","From 1D Zigzag Chains to 3D Chiral Frameworks: Synthesis and Properties of Praseodymium(III) and Neodymium(III) Coordination Polymers","RSC Advances","2014","","","","","10.1039/C4RA06629D","","","0.71075","MoKα","","0.0186","0.018","","","0.0452","0.0455","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218245","16.719","0.0004","16.719","0.0004","24.598","0.0007","90","","90","","120","","5954.6","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H82 Co4 N2 O39 -","- C54 H54 Co4 N2 O39 -","- C162 H162 Co12 N6 O117 -","3","0.5","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.0948","0.065","","","0.1805","0.1996","","","","","","1.11","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218246","16.719","0.0007","16.719","0.0007","24.598","0.001","90","","90","","120","","5954.6","0.4","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H82 N2 Ni4 O39 -","- C54 H54 N2 Ni4 O39 -","- C162 H162 N6 Ni12 O117 -","3","0.5","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.1284","0.0746","","","0.1964","0.2379","","","","","","1.022","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7219204","9.6197","0.0001","9.6197","0.0001","28.4217","0.0009","90","","90","","120","","2277.74","0.08","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C75 H84 Mn3 N30 O18 -","- C75 H72 Mn3 N30 O18 -","- C75 H72 Mn3 N30 O18 -","1","0.166667","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.1228","0.1162","","","0.3151","0.3272","","","","","","1.119","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219473","10.4339","0.001","10.4339","0.001","21.467","0.002","90","","90","","120","","2023.9","0.3","150","2","150","2","","","","","","","","3","P 31 2 1","P 31 2""","152","TPymT","2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","","- C15 H9 N9 -","- C15 H9 N9 -","- C90 H54 N54 -","6","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","","","0.71073","MoKα","","0.1748","0.1119","","","0.2604","0.3366","","","","","","1.015","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219829","16.3482","0.001","16.3482","0.001","19.5011","0.001","90","","90","","120","","4513.7","0.5","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C52 H56 Cl4 Fe3 N11 O4 -","- C52 H56 Cl4 Fe3 N11 O4 -","- C156 H168 Cl12 Fe9 N33 O12 -","3","0.5","","Gungor, Elif; Yahsi, Yasemin; Kara, Hulya; Caneschi, Andrea","The first 3D and trinuclear cyano-bridged FeIII‒FeIII(CN)6complexes: structure and magnetic characterizations","CrystEngComm","2015","17","16","3082","","10.1039/C5CE00261C","","","0.71073","MoKα","","0.0901","0.0563","","","0.1353","0.1448","","","","","","0.915","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219940","19.851","0.003","19.851","0.003","9.876","0.002","90","","90","","120","","3370.4","1","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C30 H34 Co2 N2 O15 S2 -","- C30 H16 Co2 N2 O12 S2 -","- C90 H48 Co6 N6 O36 S6 -","3","0.5","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1136","0.0951","","","0.254","0.2646","","","","","","1.073","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7221654","12.3073","0.0005","12.3073","0.0005","19.1117","0.0006","90","","90","","120","","2507.01","0.16","295","","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C12 H20 Cl Cu N3 O7 -","- C12 H20 Cl Cu N3 O7 -","- C72 H120 Cl6 Cu6 N18 O42 -","6","1","","Bhunia, Apurba; Manna, Soumen; Mistri, Soumen; Paul, Aparup; Manne, Rajesh Kumar; Santra, Manas Kumar; Bertolasi, Valerio; Manna, Subal Chandra","Synthesis, characterization, TDDFT calculation and biological activity of tetradentate ligand based square pyramidal Cu(II) complexes","RSC Adv.","2015","","","","","10.1039/C5RA12324K","","","0.71073","MoKα","","0.0643","0.0433","","","0.0995","0.1101","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7225796","14.792","0.002","14.792","0.002","18.957","0.004","90","","90","","120","","3592.1","1","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H38 N6 Ni O11 -","- C28 H24 N6 Ni O4 -","- C84 H72 N18 Ni3 O12 -","3","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0279","0.0271","","","0.0757","0.0762","","","","","","1.042","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225797","14.78","0.002","14.78","0.002","19.179","0.004","90","","90","","120","","3628.3","1","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H56 Co N6 O20 -","- C28 H24 Co N6 O4 -","- C84 H72 Co3 N18 O12 -","3","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0747","0.0379","","","0.0807","0.0922","","","","","","0.92","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7228410","6.2092","0.0008","6.2092","0.0008","15.52","0.004","90","","90","","120","","518.2","0.16","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Ba Cu2 Ge S4 -","- Ba Cu2 Ge S4 -","- Ba3 Cu6 Ge3 S12 -","3","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.0214","0.0185","","","0.0366","0.0373","","","","","","1.031","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228411","6.5014","0.0006","6.5014","0.0006","16.266","0.003","90","","90","","120","","595.42","0.13","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Ba Cu2 Ge Se4 -","- Ba Cu2 Ge Se4 -","- Ba3 Cu6 Ge3 Se12 -","3","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.0287","0.0281","","","0.0659","0.0663","","","","","","1.054","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228524","4.3125","0.0003","4.3125","0.0003","4.9711","0.0004","90","","90","","120","","80.065","0.01","99.99","0.14","100","1","","","","","","","","1","P 31 2 1","P 31 2""","152","Grey selenium","Selenium","","- Se -","- Se -","- Se3 -","3","0.5","","Boeré, René; Hill, Nathan D. D.","High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls","CrystEngComm","2017","","","","","10.1039/C7CE00863E","","x-ray","1.54184","CuKα","","0.0409","0.0409","","","0.109","0.109","","","","","","1.381","","","","has coordinates","198021","2020-10-21","18:00:00",""
"7228960","11.1476","0.0002","11.1476","0.0002","38.1525","0.0008","90","","90","","120","","4105.98","0.14","294.33","0.1","294.33","0.1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C30 H30 F3 N3 O3 -","- C30 H30 F3 N3 O3 -","- C180 H180 F18 N18 O18 -","6","1","","Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng","Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications","RSC Adv.","2017","7","64","40640","","10.1039/C7RA08267C","","x-ray","1.54184","CuKα","","0.0491","0.0477","","","0.1236","0.1256","","","","","","1.094","","","","has coordinates","199896","2020-10-21","18:00:00",""
"7230695","13.2807","0.0005","13.2807","0.0005","14.1753","0.0006","90","","90","","120","","2165.23","0.15","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C6 Br6 Cd Mo6 N6 O4 Se2 -","- C6 Br6 Cd Mo6 N6 O4 Se2 -","- C18 Br18 Cd3 Mo18 N18 O12 Se6 -","3","0.5","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0571","0.0506","","","0.1175","0.1212","","","","","","1.062","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230699","13.2013","0.0006","13.2013","0.0006","14.1296","0.0006","90","","90","","120","","2132.52","0.16","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C6 Br6 Cd Mo6 N6 O4 S2 -","- C6 Br6 Cd Mo6 N6 O4 S2 -","- C18 Br18 Cd3 Mo18 N18 O12 S6 -","3","0.5","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0885","0.0581","","","0.1273","0.1352","","","","","","1.072","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7233702","6.8765","0.0005","6.8765","0.0005","25.923","0.004","90","","90","","120","","1061.6","0.2","296","2","296","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- B7 Li4 O14 Rb3 -","- B7 Li4 O14 Rb3 -","- B21 Li12 O42 Rb9 -","3","0.5","","Zhang, Bingbing; Yang, Zhihua; Yang, Yun; Lee, Ming-Hsien; Pan, Shilie; Jing, Qun; Su, Xin","p–(p,π*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates Li~n~M~n-1~B~2n-1~O~4n-2~ (M = Cs/Rb, n = 3, 4, 6)","Journal of Materials Chemistry C","2014","2","21","4133","4141","10.1039/c4tc00363b","","","0.71073","MoKα","","0.0234","0.0202","","","0.0433","0.0442","","","","","","1.042","","","","has coordinates","275241","2022-05-09","00:54:32",""
"7234120","31.521","0.003","31.521","0.003","7.118","0.002","90","","90","","120","","6124.8","1.9","291","2","291","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C68 H82 Cl2 N6 O7 Pt2 -","- C68 H82 Cl2 N6 O7 Pt2 -","- C204 H246 Cl6 N18 O21 Pt6 -","3","0.5","","Xiao-Peng Zhang; Jin-Feng Mei; Jian-Cheng Lai; Cheng-Hui Li; Xiao-Zeng You","Mechano-induced luminescent and chiroptical switching in chiral cyclometalated platinum(ii) complexes","Journal of Materials Chemistry C","2015","3","","2350","2357","10.1039/C4TC02800G","","","0.71073","MoKα","","0.069","0.0632","","","0.1725","0.1741","","","","","","1.048","","","","has coordinates","218785","2020-10-21","18:00:00",""
"7235113","5.917849","0.000038","5.917849","0.000038","20.75995","0.00038","90","","90","","120","","629.629","0.013","","","4","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","vesignieite","- Ba Cu3 D2 O10 V2 -","- Ba Cu3 D2 H0 O10 V2 -","- Ba3 Cu9 D6 H0 O30 V6 -","3","0.5","","David Boldrin; Kevin Knight; Andrew S. Wills","Orbital frustration in the S = 1/2 kagome magnet vesignieite, BaCu3V2O8(OH)2","Journal of Materials Chemistry C","2016","4","","10315","10322","10.1039/C6TC02935C","","neutron","","","","","","","","","","","","","","","","","","","has coordinates","227869","2020-10-21","18:00:00",""
"7241946","14.0232","0.0019","14.0232","0.0019","25.446","0.007","90","","90","","120","","4333.6","1.5","298","2","298.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H38 N4 O14 Zn3 -","- C54 H38 N4 O14 Zn3 -","- C162 H114 N12 O42 Zn9 -","3","0.5","","Wang, Xiao-Qing; Tang, Jing; Ma, Xuehui; Wu, Dan; Yang, Jie","A water-stable zinc(ii)‒organic framework as an “on‒off‒on” fluorescent sensor for detection of Fe3+ and reduced glutathione","CrystEngComm","2021","23","5","1243","1250","10.1039/D0CE01741H","","","0.71073","MoKα","","0.1242","0.0654","","","0.1491","0.1726","","","","","","1.03","","","","has coordinates","262572","2021-03-05","01:46:06",""
"7242481","6.8191","0.0003","6.8191","0.0003","12.7035","0.0011","90","","90","","120","","511.57","0.05","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H6 Na3 O27 S6 Y3 -","- H6 Na3 O27 S6 Y3 -","- H6 Na3 O27 S6 Y3 -","1","0.166667","","Wu, Chao; Lin, Lin; Wu, Tianhui; Huang, Zhipeng; Zhang, Chi","Deep-ultraviolet transparent alkali metal‒rare earth metal sulfate NaY(SO4)2·H2O as a nonlinear optical crystal: synthesis and characterization","CrystEngComm","2021","23","16","2945","2951","10.1039/D1CE00226K","","","0.71073","MoKα","","0.017","0.0157","","","0.0385","0.0389","","","","","","1.061","","","","has coordinates","265960","2021-06-05","18:11:32",""
"7245833","10.0853","0.0003","10.0853","0.0003","24.8734","0.0008","90","","90","","120","","2191.01","0.12","90","2","90","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H24 Cl6 Ga2 N4 -","- C24 H24 Cl6 Ga2 N4 -","- C72 H72 Cl18 Ga6 N12 -","3","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0469","0.0391","","","0.0974","0.1017","","","","","","1.022","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7249643","8.56884","0.00006","8.56884","0.00006","30.61946","0.00018","90","","90","","120","","1947.03","0.02","169.98","0.1","170","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H32 Cu2 N8 O10 -","- C18 H32 Cu2 N8 O10 -","- C54 H96 Cu6 N24 O30 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka","Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2024","","","","","10.1039/D4CE01070A","","","1.54184","CuKα","","0.0336","0.0318","","","0.0746","0.0757","","","","","","1.055","","","","has coordinates,has disorder","296128","2024-11-26","23:35:41",""
"7249644","8.61755","0.00019","8.61755","0.00019","30.5882","0.0006","90","","90","","120","","1967.22","0.07","270","1","270.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H32 Cu2 N8 O10 -","- C18 H32 Cu2 N8 O10 -","- C54 H96 Cu6 N24 O30 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka","Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2024","","","","","10.1039/D4CE01070A","","","1.54184","CuKα","","0.0347","0.0313","","","0.0821","0.0849","","","","","","1.046","","","","has coordinates,has disorder","296128","2024-11-26","23:35:41",""
"7249646","8.3611","0.001","8.3611","0.001","30.45","0.003","90","","90","","120","","1843.5","0.4","370","1","370","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H26 Cu2 N8 O7 -","- C18 H24 Cu2 N8 O7 -","- C54 H72 Cu6 N24 O21 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka","Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2024","","","","","10.1039/D4CE01070A","","","1.54184","CuKα","","0.1029","0.0752","","","0.1967","0.2266","","","","","","0.963","","","","has coordinates,has disorder","296128","2024-11-26","23:35:42",""
"7249648","13.3717","0.0009","13.3717","0.0009","36.41","0.002","90","","90","","120","","5638","0.6","150","1","150","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25.5 H54 Cu2 N8 O13.5 -","- C25.5 H54 Cu2 N8 O13.5 -","- C153 H324 Cu12 N48 O81 -","6","1","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka","Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2024","","","","","10.1039/D4CE01070A","","x-ray","0.71073","MoKα","","0.1463","0.1068","","","0.1967","0.2223","","","","","","1.062","","","","has coordinates,has disorder","296128","2024-11-26","23:35:43",""
"7701633","10.9905","0.0002","10.9905","0.0002","34.6093","0.0008","90","","90","","120","","3620.41","0.13","100","","100","","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C23.05 H22.1 Au Cl2.3 N3 P S0.35 -","- C23.05 H22.1 Au Cl2.3 N3 P S0.35 -","- C138.3 H132.6 Au6 Cl13.8 N18 P6 S2.1 -","6","1","","Seifert, Tim P.; Bestgen, Sebastian; Feuerstein, Thomas J.; Lebedkin, Sergei; Krämer, Felix; Fengler, Christian; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.","Phosphine-substituted 1,2,3-triazoles as P,C- and P,N-ligands for photoluminescent coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15427","15434","10.1039/c9dt01239g","","x-ray","0.71073","MoKα","","0.0453","0.0399","","","0.1017","0.1056","","","","","","1.091","","","","has coordinates,has disorder","223323","2020-10-21","18:00:00",""
"7702132","14.1615","0.0003","14.1615","0.0003","22.7112","0.0007","90","","90","","120","","3944.48","0.17","173","2","173","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C18 H21 Br Cl2 N2 Zn -","- C18 H21 Br Cl2 N2 Zn -","- C108 H126 Br6 Cl12 N12 Zn6 -","6","1","","Simler, Thomas; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetrical, potentially redox non-innocent imino NHC pyridine 'pincers' via a zinc ion template-assisted synthesis.","Dalton transactions (Cambridge, England : 2003)","2017","46","18","5955","5964","10.1039/c7dt01014a","","","0.71073","MoKα","","0.1044","0.0675","","","0.1679","0.1818","","","","","","0.952","","","","has coordinates","235633","2020-10-21","18:00:00",""
"7702829","12.02","0.002","12.02","0.002","57.228","0.011","90","","90","","120","","7161","2","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C42 H51 B2 Cu2 N12 O14 -","- C42 H33 B2 Cu2 N12 O14 -","- C252 H198 B12 Cu12 N72 O84 -","6","1","","Hammes, Brian S.; Luo, Xuemei; Chohan, Balwant S.; Carrano, Mary W.; Carrano, Carl J.","Metal complexes of 3-carboxyethyl substituted trispyrazolylborates: interactions with the ester carbonyl oxygens","Journal of the Chemical Society, Dalton Transactions","2002","","17","3374","","10.1039/b204277k","","","0.71073","MoKα","","0.1393","0.0828","","0.1803","0.145","","","","1.048","1.044","1.044","","","","","has coordinates","244032","2020-10-21","18:00:00",""
"7702987","12.6494","0.0002","12.6494","0.0002","58.6453","0.0012","90","","90","","120","","8126.5","0.2","150","","150","","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C56 H56 Al Cl4 Ga N4 P2 -","- C56 H56 Al Cl4 Ga N4 P2 -","- C336 H336 Al6 Cl24 Ga6 N24 P12 -","6","1","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.115","0.0654","","","0.1145","0.1306","","","","","","1.034","","","","has coordinates,has disorder","247737","2020-10-21","18:00:00",""
"7702988","12.6047","0.0003","12.6047","0.0003","58.597","0.002","90","","90","","120","","8062.5","0.4","150","","150","","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C56 H56 Al Cl4 Ga N4 P2 -","- C56 H56 Al Cl4 Ga N4 P2 -","- C336 H336 Al6 Cl24 Ga6 N24 P12 -","6","1","","Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.","Neutral and cationic enantiopure group 13 iminophosphonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","675","681","10.1039/c9dt04082j","","x-ray","0.71073","MoKα","","0.0771","0.0485","","","0.0767","0.0813","","","","","","0.942","","","","has coordinates,has disorder","247737","2020-10-21","18:00:00",""
"7705960","7.029","0.004","7.029","0.004","20.97","0.03","90","","90","","120","","897.3","1.5","296","2","296","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Al B5 Cs2 O10 -","- Al B5 Cs2 O10 -","- Al3 B15 Cs6 O30 -","3","0.5","","Baiheti, Tuohetijiang; Han, Shujuan; Jin, Wenqi; Yang, Zhihua; Pan, Shilie","Cs<sub>2</sub>AlB<sub>5</sub>O<sub>10</sub>: a short-wavelength nonlinear optical crystal with moderate second harmonic generation response.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","822","825","10.1039/d0dt04020g","","","0.71073","MoKα","","0.0815","0.0533","","","0.1218","0.1404","","","","","","1.019","","","","has coordinates","261692","2021-02-04","23:18:45",""
"7706253","9.0638","0.0003","9.0638","0.0003","22.3036","0.0009","90","","90","","120","","1586.81","0.1","100","2","100","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C21 H22 N6 -","- C21 H22 N6 -","- C63 H66 N18 -","3","0.5","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","0.71073","MoKα","","0.068","0.054","","","0.0994","0.1038","","","","","","1.13","","","","has coordinates","260510","2021-01-05","07:22:43",""
"7706255","17.344","0.003","17.344","0.003","8.807","0.0015","90","","90","","120","","2294.3","0.7","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C27 H34 Cl2 Mn2 N8 O2 -","- C27 H34 Cl2 Mn2 N8 O2 -","- C81 H102 Cl6 Mn6 N24 O6 -","3","0.5","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","0.8104","synchrotron","","0.1607","0.0999","","","0.254","0.3084","","","","","","1.003","","","","has coordinates","295947","2024-11-15","22:25:06",""
"7707829","19.293","0.0015","19.293","","11.797","0.0009","90","","90","","120","","3802.8","0.4","150","2","150","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C52 H40 Cd N10 O4 -","- C52 H40 Cd N10 O4 -","- C156 H120 Cd3 N30 O12 -","3","0.5","","Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.","Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10041","10049","10.1039/d0dt02531c","","","0.71073","MoKα","","0.0517","0.0434","","","0.1165","0.1206","","","","","","1.056","","","","has coordinates,has disorder","268702","2021-09-06","10:52:27",""
"7709613","15.276","0.003","15.276","0.003","12.183","0.002","90","","90","","120","","2462.1","0.8","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C31 H39 Al I2 N2 -","- C31 H39 Al I2 N2 -","- C93 H117 Al3 I6 N6 -","3","0.5","","Roesky, Herbert W.; Kumar, Arun; Banerjee, Samya; Sharma, Nishant; Nazish, Mohd; Graw, Nico; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar","Synthesis and computational aspects of Al(II)-Al(II) and Ga(II)-Ga(II) dihalides based on an amidinate scaffold","Dalton Transactions","2022","","","","","10.1039/D2DT00317A","","","0.71073","MoKα","","0.0164","0.0157","","","0.0365","0.0369","","","","","","1.061","","","","has coordinates","273183","2022-02-28","23:48:58",""
"7710249","17.0073","0.0002","17.0073","0.0002","39.207","0.0006","90","","90","","120","","9821.2","0.2","100.3","0.8","100.3","0.8","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H84 Cl9 In N6 -","- C54 H84 Cl9 In N6 -","- C324 H504 Cl54 In6 N36 -","6","1","","Qi, Siming; Ge, Fei; Han, Xiao; Cheng, Puxin; Shi, Rongchao; Liu, Chao; Zheng, Yongshen; Xin, Mingyang; Xu, Jialiang","0D Chiral Hybrid Indium(III) Halides for Second Harmonic Generation","Dalton Transactions","2022","","","","","10.1039/D2DT00925K","","x-ray","0.71073","MoKα","","0.0415","0.0346","","","0.0775","0.0801","","","","","","1.024","","","","has coordinates","275351","2022-05-11","22:57:13",""
"7711301","13.7512","0.0003","13.7512","0.0003","22.9369","0.001","90","","90","","120","","3756.2","0.2","180","2","180.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H14 Gd N O8 -","- C18 H14 Gd N O8 -","- C108 H84 Gd6 N6 O48 -","6","1","","Zhang, Xiao-Nuan; Chen, Bo-Chen; Zhang, Jia-Li; Zhang, Jialin; Liu, Sui-Jun; Wen, He-Rui","Anionic lanthanide metal-organic frameworks with magnetism, fluorescence, proton conductivity and selective adsorption of cationic dye","Dalton Transactions","2022","","","","","10.1039/D2DT02347D","","","0.71073","MoKα","","0.0308","0.0245","","","0.0568","0.0587","","","","","","1.06","","","","has coordinates","277987","2022-09-19","22:44:25",""
"7712495","10.5622","0.0001","10.5622","0.0001","37.6815","0.0003","90","","90","","120","","3640.55","0.06","123","0.1","123","0.1","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C28 H32 N2 O -","- C28 H32 N2 O -","- C168 H192 N12 O6 -","6","1","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","x-ray","1.54184","CuKα","","0.0347","0.034","","","0.0894","0.09","","","","","","1.046","","","","has coordinates","281243","2023-03-02","08:43:12",""
"7713483","15.2509","0.0004","15.2509","0.0004","18.9173","0.0006","90","","90","","120","","3810.49","0.19","104","2","104.52","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C42 H62 Cl6 N2 O6 V -","- C42 H62 Cl6 N2 O6 V -","- C126 H186 Cl18 N6 O18 V3 -","3","0.5","","Martinez, Roxanna; Jackson, Cassidy E.; Üngör, Ökten; van Tol, Johan; Zadrozny, Joseph","Impact of Ligand Chlorination and Counterion Tuning on High-Field Spin Relaxation in a Series of V(IV) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01274C","","","0.71073","MoKα","","0.0362","0.0304","","","0.0794","0.0892","","","","","","1.12","","","","has coordinates","285265","2023-07-18","22:49:46",""
"7713659","20.046","0.003","20.046","0.003","7.9727","0.0017","90","","90","","120","","2774.5","0.8","100","","100","","","","","","","","","9","P 31 2 1","P 31 2""","152","","","","- C31 H42 B Cl F4 Fe N2 O2 P2 -","- C31 H42 B Cl F4 Fe N2 O2 P2 -","- C93 H126 B3 Cl3 F12 Fe3 N6 O6 P6 -","3","0.5","","Schratzberger, Heiko; Liebminger, Lorenzo A.; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Base Metal Complexes featuring a New Pyrazole-Derived PCP-Pincer Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02111D","","","0.71073","MoKα","","0.0536","0.0385","","","0.0925","0.0991","","","","","","1.04","","","","has coordinates","285455","2023-08-04","22:51:43",""
"7714460","23.3248","0.0009","23.3248","0.0009","32.71","0.002","90","","90","","120","","15411.6","1.3","193","","193","","","","","","","","","6","P 31 2 1","P 31 2""","152","","HIAM-4033","","- C79 H50 N6 O32 S3 Zr6 -","- C79 H50 N6 O32 S3 Zr6 -","- C237 H150 N18 O96 S9 Zr18 -","3","0.5","","Xia, Jun; Si, Jincheng; Zhou, Kang; Xia, Hai-Lun; Zhang, Jian; Xu, Yingqian; Wang, Lei; Liu, Xiao-Yuan","Carboxyl Position Directed Structure Diversity in Zirconium-Tricarboxylate Frameworks","Dalton Transactions","2023","","","","","10.1039/D3DT03348A","","x-ray","1.34139","GaKα","","0.081","0.0605","","","0.1708","0.188","","","","","","1.011","","","","has coordinates,has disorder","287598","2023-11-14","23:55:35",""
"7717074","8.5947","0.0007","8.5947","0.0007","17.7141","0.0014","90","","90","","120","","1133.21","0.16","273","2","273","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C12 H10 Cl Cu N4 O6 -","- C12 H10 Cl Cu N4 O6 -","- C36 H30 Cl3 Cu3 N12 O18 -","3","0.5","","Kuilya, Hemrupa; Das, Pranjal; Basak, Swati; Sarma, Debajit; Mazumdar, Pradyumna; Choudhury, Diganta; Kalita, Apurba","Effect of ligand substituents on the reactivity pathways of copper(II) complexes towards electrocatalytic water oxidation.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17547","17553","10.1039/d4dt01852d","","","0.71073","MoKα","","0.0224","0.0203","","","0.0456","0.0464","","","","","","1.044","","","","has coordinates","296520","2024-12-06","18:26:01",""
"8102259","14.803","0.002","14.803","0.002","7.0721","0.0014","90","","90","","120","","1342.1","0.4","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","poly[[bis(2-methyl-1H-imidazole)-zinc(II)-succinato]trihydrate]","","- C12 H22 N4 O7 Zn -","- C12 H22 N4 O7 Zn -","- C36 H66 N12 O21 Zn3 -","3","0.5","","Ming Lv","Crystal structure of poly[[bis(2-methyl-1H-imidazole)-zinc(II)-succinato] trihydrate], Zn(C4H4O4)(C4H6N2)2 · 3H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","2","131","","","","","0.71073","MoKα","","0.0472","0.0383","","","0.0815","0.085","","","","","","1.099","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103470","4.4605","","4.4605","","9.9","","90","","90","","120","","170.582","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","B (P O4)","","- B O4 P -","- B O4 P -","- B3 O12 P3 -","3","0.5","","Haines, J.; Chateau, C.; Astier, R.; Fertey, P.; Cambon, O.","Crystal structures of alpha-quartz homeotypes boron phosphate and boron arsenate: structure - property relationships","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","32","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103513","4.583","","4.583","","5.189","","90","","90","","120","","94.387","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Kim-Zajonz, J.; Werner, S.; Schulz, H.","High pressure single crystal X-ray diffraction study on alpha-quartz","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","324","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103599","9.307","","9.307","","17.168","","90","","90","","120","","1287.86","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","(Zn (N H3)4) (I3)2","","- H12 I6 N4 Zn -","- H12 I6 N4 Zn -","- H36 I18 N12 Zn3 -","3","0.5","","Tebbe, K. F.","Untersuchungen von Polyhalogeniden, die Kristallstruktur des Tetramminzink(II)-Hexaiodids (Zn (N H3) 4) (I3)2","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","297","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","189061","2020-10-21","18:00:00",""
"8103887","5.13461","","5.13461","","11.3465","","90","","90","","120","","259.064","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Fe (P O4)","","- Fe O4 P -","- Fe O4 P -","- Fe3 O12 P3 -","3","0.5","","Haines, J.; Cambon, O.; Hull, S.","Neutron diffraction study of quartz-type Fe P O4: high-temperature behavior and alpha-beta phase transition","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","193","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103888","4.547","","4.547","","10.304","","90","","90","","120","","184.496","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","B (As O4)","","- As B O4 -","- As B O4 -","- As3 B3 O12 -","3","0.5","","Haines, J.; Cambon, O.; Chateau, C.; Astier, R.; Fertey, P.","Crystal structures of alpha-quartz homeotypes boron phosphate and boron arsenate: structure - property relationships","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","32","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104291","5.067","","5.067","","11.258","","90","","90","","120","","250.319","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Al (As O4)","","- Al As O4 -","- Al As O4 -","- Al3 As3 O12 -","3","0.5","","Baumgartner, O.; Preisinger, A.; Behmer, M.","Die Kristallstruktur von Al As O4 bei 20 C, 500 C und 750 C","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","125","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104321","7.1913","","7.1913","","17.402","","90","","90","","120","","779.372","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Mn2 (Sb2 O7)","","- Mn2 O7 Sb2 -","- Mn2 O7 Sb2 -","- Mn12 O42 Sb12 -","6","1","","Scott, H.G.","Refinement of the crystal structure of the manganous antimonate Mn2 Sb2 O7 with neutron powder diffraction data by the profile decomposition method","Zeitschrift fuer Kristallographie (149,1979-)","1990","190","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","172120","2020-10-21","18:00:00",""
"9000874","7.287","","7.287","","16.886","","90","","90","","120","","776.524","","","","","","","","","","","","","10","P 31 2 1","P 31 2""","152","","","Zirkelite","- Ca0.84 Ce0.595 Fe Na0.31 Nb0.524 O14 Ta0.316 Th0.265 Ti2.16 Zr2 -","- Ca0.84 Ce0.595 Fe Na0.31 Nb0.524 O14 Ta0.316 Th0.265 Ti2.16 Zr2 -","- Ca2.52 Ce1.785 Fe3 Na0.93 Nb1.572 O42 Ta0.948 Th0.795 Ti6.48 Zr6 -","3","0.5","","Mazzi, F.; Munno, R.","Calciobetafite (new mineral of the pyrochlore group) and related minerals from Campi Flegrei, Italy; crystal structures of polymignyte and zirkelite: comparison with pyrochlore and zirconolite Note: B(2,3) for Ti61 has been changed to satisfy symmetry constraints","American Mineralogist","1983","68","","262","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9007659","10.29","","10.29","","15.993","","90","","90","","120","","1466.53","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","","","- Ni53 S54 -","- Ni51 S54 -","- Ni51 S54 -","1","0.166667","","Collin, G.; Chavant, C.; Comes, R.","Structure and planar faults in the defective NiAs-type compound Ni17S18","Acta Crystallographica, Section B","1983","39","3","289","296","10.1107/S0108768183002426","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007717","10.464","","10.464","","13.168","","90","","90","","120","","1248.67","","","","","","","","","","","","synthetic low-temperature form","4","P 31 2 1","P 31 2""","152","","","Combeite","- Ca2 Na2 O9 Si3 -","- Ca2 Na2 O9 Si3 -","- Ca12 Na12 O54 Si18 -","6","1","","Ohsato, H.; Takeuchi, Y.; Maki, I.","Structure of Na4Ca4[Si6O18]","Acta Crystallographica, Section C","1986","42","","934","937","10.1107/S0108270186093940","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007720","10.464","","10.464","","13.176","","90","","90","","120","","1249.42","","","","","","","","","","","","synthetic low-temperature form","4","P 31 2 1","P 31 2""","152","","","Combeite","- Ca3.8 Na4.4 O18 Si6 -","- Ca3.8 Na4.4 O18 Si6 -","- Ca11.4 Na13.2 O54 Si18 -","3","0.5","","Fischer, R. X.; Tillmanns, E.","Revised data for combeite, Na2Ca2Si3O9","Acta Crystallographica, Section C","1987","43","9","1852","1854","10.1107/S010827018708987X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008050","5.03","","5.03","","11.22","","90","","90","","120","","245.844","","","","","","","","","","","","","3","P 31 2 1","","","","","Alarsite","- Al As O4 -","- Al As O4 -","- Al3 As3 O12 -","3","0.5","","Machatschki, F.","Die kristallstruktur von tiefquarz SiO2 und aluminiumorthoarsenat AlAsO4","Zeitschrift fur Kristallographie","1936","94","","222","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008088","6.966","","6.966","","6.46","","90","","90","","120","","271.475","","","","","","","","","","","","Synthetic","3","P 31 2 1","P 31 2""","152","","","Ximengite","- Bi O4 P -","- Bi O4 P -","- Bi3 O12 P3 -","3","0.5","","Mooney-Slater R C L","Polymorphic forms of bismuth phosphate","Zeitschrift fur Kristallographie","1962","117","","371","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008093","5.01","","5.01","","5.47","","90","","90","","120","","118.903","","","","923.15","","","","","","","","","2","P 31 2 1","P 31 2""","152","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Arnold, H.","Die struktur des hochquarzes Note: sample is at T = 650 deg C, under the false assumption that it is twinned","Zeitschrift fur Kristallographie","1962","117","","467","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008400","5.028","","5.028","","11.228","","90","","90","","120","","245.824","","","","","","","","0","","","","Synthetic","3","P 31 2 1","P 31 2""","152","","","Alarsite","- Al As O4 -","- Al As O4 -","- Al3 As3 O12 -","3","0.5","","Sowa, H.","The crystal structure of AlAsO4 at high pressure Note: P = 0 GPa","Zeitschrift fur Kristallographie","1991","194","","291","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008401","5.03","","5.03","","11.234","","90","","90","","120","","246.151","","","","","","","","0","","","","Synthetic","3","P 31 2 1","P 31 2""","152","","","Alarsite","- Al As O4 -","- Al As O4 -","- Al3 As3 O12 -","3","0.5","","Sowa, H.","The crystal structure of AlAsO4 at high pressure Note: P = 0 GPa, in the diamond anvil cell","Zeitschrift fur Kristallographie","1991","194","","291","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008402","4.945","","4.945","","11.135","","90","","90","","120","","235.805","","","","","","","","1810000","","","","Synthetic","3","P 31 2 1","P 31 2""","152","","","Alarsite","- Al As O4 -","- Al As O4 -","- Al3 As3 O12 -","3","0.5","","Sowa, H.","The crystal structure of AlAsO4 at high pressure Note: P = 1.81 GPa","Zeitschrift fur Kristallographie","1991","194","","291","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008403","4.873","","4.873","","11.071","","90","","90","","120","","227.672","","","","","","","","2990000","","","","Synthetic","3","P 31 2 1","P 31 2""","152","","","Alarsite","- Al As O4 -","- Al As O4 -","- Al3 As3 O12 -","3","0.5","","Sowa, H.","The crystal structure of AlAsO4 at high pressure Note: P = 2.99 GPa","Zeitschrift fur Kristallographie","1991","194","","291","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008404","4.799","","4.799","","11.003","","90","","90","","120","","219.454","","","","","","","","4870000","","","","Synthetic","3","P 31 2 1","P 31 2""","152","","","Alarsite","- Al As O4 -","- Al As O4 -","- Al3 As3 O12 -","3","0.5","","Sowa, H.","The crystal structure of AlAsO4 at high pressure Note: P = 4.87 GPa","Zeitschrift fur Kristallographie","1991","194","","291","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9009666","4.9158","","4.9158","","5.4091","","90","","90","","120","","113.199","","","","","","","","","","","","Baveno, Novara, Italy","2","P 31 2 1","P 31 2""","152","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Gualtieri, A. F.","Accuracy of XRPD QPA using the combined Rietveld-RIR method","Journal of Applied Crystallography","2000","33","","267","278","10.1107/S002188989901643X","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009779","7.228","","7.228","","16.805","","90","","90","","120","","760.336","","","","123","","","","","","","","Synthetic","6","P 31 2 1","P 31 2""","152","","","Zirconolite","- Al0.96 Ca1.538 O14 Th0.302 Ti2.6 Zr2.6 -","- Al0.96 Ca1.538 O14 Th0.302 Ti2.6 Zr2.6 -","- Al2.88 Ca4.614 O42 Th0.906 Ti7.8 Zr7.8 -","3","0.5","","Grey, I. E.; Mumme, W. G.; Ness, T. J.; Roth, R. S.; Smith, K. L.","Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Locality: synthetic Sample: T = 123 K Note: polytype Zirconolite-3T","Journal of Solid State Chemistry","2003","174","","285","295","10.1016/S0022-4596(03)00222-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010240","7.282","","7.282","","17.604","","90","","90","","120","","808.432","","","","","","","","","","","","Langban mine, Varmland, Sweden","5","P 31 2 1","P 31 2""","152","","","Ingersonite","- Ca3 Mg0.017 Mn O14 Sb3.983 -","- Ca3 Mg0.017 Mn O14 Sb3.983 -","- Ca9 Mg0.051 Mn3 O42 Sb11.949 -","3","0.5","","Bonazzi, P.; Bindi, L.","The crystal structure of ingersonite, Ca3Mn2+Sb5+4O14, and its relationships with pyrochlore Locality: Langban mine, Varmland, Sweden","American Mineralogist","2007","92","","947","953","10.2138/am.2007.2421","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010367","4.9458","","4.9458","","10.9526","","90","","90","","120","","232.018","","","","","","","","","","","","Cioclovina Cave, Romania","3","P 31 2 1","P 31 2""","152","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Onac, B. P.; Effenberger, H. S.","Re-examination of berlinite (AlPO4) from the Cioclovina Cave, Romania","American Mineralogist","2007","92","","1998","2001","10.2138/am.2007.2581","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011493","4.921","","4.921","","5.4163","","90","","90","","120","","113.59","","","","","","","","0","","","","","2","P 31 2 1","","","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Glinnemann, J.; King, H. E.; Schulz, H.; Hahn, T.; La Placa, S. J.; Dacol, F.","Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure P = room pressure","Zeitschrift fur Kristallographie","1992","198","","177","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011494","4.775","","4.775","","5.3046","","90","","90","","120","","104.744","","","","","","","","4000000","","","","","2","P 31 2 1","","","","","Quartz","- O2 Si -","- O6 Si3 -","- O6 Si3 -","","","","Glinnemann, J.; King, H. E.; Schulz, H.; Hahn, T.; La Placa, S. J.; Dacol, F.","Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure P = 4.0GPa = 40 kbar","Zeitschrift fur Kristallographie","1992","198","","177","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29",""
"9011495","4.6764","","4.6764","","5.2475","","90","","90","","120","","99.382","","","","","","","","7200000","","","","","2","P 31 2 1","","","","","Quartz","- O2 Si -","- O6 Si3 -","- O6 Si3 -","","","","Glinnemann, J.; King, H. E.; Schulz, H.; Hahn, T.; La Placa, S. J.; Dacol, F.","Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure P = 7.2GPa = 72 kbar","Zeitschrift fur Kristallographie","1992","198","","177","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29",""
"9011496","4.604","","4.604","","5.207","","90","","90","","120","","95.585","","","","","","","","10200000","","","","","2","P 31 2 1","","","","","Quartz","- O2 Si -","- O6 Si3 -","- O6 Si3 -","","","","Glinnemann, J.; King, H. E.; Schulz, H.; Hahn, T.; La Placa, S. J.; Dacol, F.","Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure P = 10.2GPa = 102 kbar","Zeitschrift fur Kristallographie","1992","198","","177","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29",""
"9011648","4.368","","4.368","","4.958","","90","","90","","120","","81.922","","","","","","","","","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011649","4.052","","4.052","","5.038","","90","","90","","120","","71.635","","","","","","","","2580000","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Sample: at P = 2.58 GPa Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011650","3.956","","3.956","","5.069","","90","","90","","120","","68.701","","","","","","","","4150000","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Sample: at P = 4.15 GPa Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011651","3.91","","3.91","","5.08","","90","","90","","120","","67.259","","","","","","","","4990000","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Sample: at P = 4.99 GPa Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011652","3.846","","3.846","","5.095","","90","","90","","120","","65.267","","","","","","","","6570000","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Sample: at P = 6.57 GPa Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011653","3.81","","3.81","","5.11","","90","","90","","120","","64.239","","","","","","","","7700000","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Sample: at P = 7.70 GPa Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011654","3.779","","3.779","","5.109","","90","","90","","120","","63.186","","","","","","","","8640000","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Sample: at P = 8.64 GPa Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012072","6.0931","","6.0931","","7.5446","","90","","90","","120","","242.574","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","Monohydrocalcite","- C H2 Ca O4 -","- C H2 Ca O4 -","- C3 H6 Ca3 O12 -","3","0.5","","Effenberger, E.","Kristallstruktur und infrarot-absorptionsspektrum von synthetischem monohydrocalcit, CaCO3*H2O Substructure","Monatshefte fur Chemie","1981","112","","899","909","10.1007/BF00905061","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012282","7.356","","7.356","","18.116","","90","","90","","120","","848.939","","","","123","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- Ca3.906 Nd0.154 O14 Ta3.78 Zr0.16 -","- Ca3.906 Nd0.154 O14 Ta3.78 Zr0.16 -","- Ca11.718 Nd0.462 O42 Ta11.34 Zr0.48 -","3","0.5","","Grey, I. E.; Mumme, W. G.; Ness, T. J.; Roth, R. S.; Smith, K. L.","Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Sample: T = 123 K, 3T weberite-type structure","Journal of Solid State Chemistry","2003","174","","285","295","10.1016/S0022-4596(03)00222-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012501","4.3662","","4.3662","","4.9536","","90","","90","","120","","81.782","","","","","","","","","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Cherin, P.; Unger, P.","The crystal structure of trigonal selenium","Inorganic Chemistry","1967","6","","1589","1591","10.1021/ic50054a037","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012512","5.036","","5.036","","11.255","","90","","90","","120","","247.199","","","","","","","","","","","","Synthetic","3","P 31 2 1","P 31 2""","152","","","Rodolicoite","- Fe O4 P -","- Fe O4 P -","- Fe3 O12 P3 -","3","0.5","","Long, G. J.; Cheetham, A. K.; Battle, P. D.","Study of the iron-phosphorus-oxygen system by Mossbauer effect, neutron diffraction, magnetic susceptibility, and analytical electron microscopy: some pitfalls and solutions in the analysis of a complex mixture","Inorganic Chemistry","1983","22","","3012","3016","10.1021/ic00163a007","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012600","4.914","","4.914","","5.406","","90","","90","","120","","113.052","","","","","","","","100","","","","Synthetic","2","P 31 2 1","P 31 2""","152","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K.","High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 1 bar","Solid State Communications","1989","72","","507","511","10.1016/0038-1098(89)90607-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012601","4.812","","4.812","","5.327","","90","","90","","120","","106.823","","","","","","","","2000000","","","","Synthetic","2","P 31 2 1","P 31 2""","152","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K.","High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 2.0 Gpa","Solid State Communications","1989","72","","507","511","10.1016/0038-1098(89)90607-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012602","4.705","","4.705","","5.25","","90","","90","","120","","100.649","","","","","","","","5100000","","","","Synthetic","2","P 31 2 1","P 31 2""","152","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K.","High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 5.1 GPa","Solid State Communications","1989","72","","507","511","10.1016/0038-1098(89)90607-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012603","4.625","","4.625","","5.216","","90","","90","","120","","96.625","","","","","","","","8000000","","","","Synthetic","2","P 31 2 1","P 31 2""","152","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K.","High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 8.0 GPa","Solid State Communications","1989","72","","507","511","10.1016/0038-1098(89)90607-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012604","4.594","","4.594","","5.2","","90","","90","","120","","95.042","","","","","","","","9500000","","","","Synthetic","2","P 31 2 1","P 31 2""","152","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K.","High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 9.5 GPa","Solid State Communications","1989","72","","507","511","10.1016/0038-1098(89)90607-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012605","4.535","","4.535","","5.17","","90","","90","","120","","92.082","","","","","","","","12500000","","","","Synthetic","2","P 31 2 1","P 31 2""","152","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K.","High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 12.5 GPa","Solid State Communications","1989","72","","507","511","10.1016/0038-1098(89)90607-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9013559","7.279","","7.279","","17.667","","90","","90","","120","","810.657","","","","","","","","100","","","","Langban mine, Varmland, Sweden","5","P 31 2 1","P 31 2""","152","","","Ingersonite","- Ca2.8 Mg0.12 Mn1.12 O14 Sb3.96 -","- Ca2.8 Mg0.12 Mn1.12 O14 Sb3.96 -","- Ca8.4 Mg0.36 Mn3.36 O42 Sb11.88 -","3","0.5","","Zanazzi, P. F.; Chelazzi, L.; Bonazzi, P.; Bindi, L.","High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: An in-situ single-crystal X-ray study Note: P = 0.0001 GPa","American Mineralogist","2009","94","","352","358","10.2138/am.2009.3030","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013560","7.243","","7.243","","17.57","","90","","90","","120","","798.251","","","","","","","","2250000","","","","Langban mine, Varmland, Sweden","5","P 31 2 1","P 31 2""","152","","","Ingersonite","- Ca2.8 Mg0.12 Mn1.12 O14 Sb3.96 -","- Ca2.8 Mg0.12 Mn1.12 O14 Sb3.96 -","- Ca8.4 Mg0.36 Mn3.36 O42 Sb11.88 -","3","0.5","","Zanazzi, P. F.; Chelazzi, L.; Bonazzi, P.; Bindi, L.","High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: An in-situ single-crystal X-ray study Note: P = 2.25 GPa","American Mineralogist","2009","94","","352","358","10.2138/am.2009.3030","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013561","7.218","","7.218","","17.51","","90","","90","","120","","790.043","","","","","","","","4230000","","","","Langban mine, Varmland, Sweden","5","P 31 2 1","P 31 2""","152","","","Ingersonite","- Ca2.8 Mg0.12 Mn1.12 O14 Sb3.96 -","- Ca2.8 Mg0.12 Mn1.12 O14 Sb3.96 -","- Ca8.4 Mg0.36 Mn3.36 O42 Sb11.88 -","3","0.5","","Zanazzi, P. F.; Chelazzi, L.; Bonazzi, P.; Bindi, L.","High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: An in-situ single-crystal X-ray study Note: P = 4.23 GPa","American Mineralogist","2009","94","","352","358","10.2138/am.2009.3030","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013562","7.204","","7.204","","17.45","","90","","90","","120","","784.284","","","","","","","","5410000","","","","Langban mine, Varmland, Sweden","5","P 31 2 1","P 31 2""","152","","","Ingersonite","- Ca2.8 Mg0.12 Mn1.12 O14 Sb3.96 -","- Ca2.8 Mg0.12 Mn1.12 O14 Sb3.96 -","- Ca8.4 Mg0.36 Mn3.36 O42 Sb11.88 -","3","0.5","","Zanazzi, P. F.; Chelazzi, L.; Bonazzi, P.; Bindi, L.","High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: An in-situ single-crystal X-ray study Note: P = 5.41 GPa","American Mineralogist","2009","94","","352","358","10.2138/am.2009.3030","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013563","7.182","","7.182","","17.465","","90","","90","","120","","780.171","","","","","","","","6380000","","","","Langban mine, Varmland, Sweden","5","P 31 2 1","P 31 2""","152","","","Ingersonite","- Ca2.8 Mg0.12 Mn1.12 O14 Sb3.96 -","- Ca2.8 Mg0.12 Mn1.12 O14 Sb3.96 -","- Ca8.4 Mg0.36 Mn3.36 O42 Sb11.88 -","3","0.5","","Zanazzi, P. F.; Chelazzi, L.; Bonazzi, P.; Bindi, L.","High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: An in-situ single-crystal X-ray study Note: P = 6.38 GPa","American Mineralogist","2009","94","","352","358","10.2138/am.2009.3030","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013564","7.17","","7.17","","17.406","","90","","90","","120","","774.94","","","","","","","","7420000","","","","Langban mine, Varmland, Sweden","5","P 31 2 1","P 31 2""","152","","","Ingersonite","- Ca2.8 Mg0.12 Mn1.12 O14 Sb3.96 -","- Ca2.8 Mg0.12 Mn1.12 O14 Sb3.96 -","- Ca8.4 Mg0.36 Mn3.36 O42 Sb11.88 -","3","0.5","","Zanazzi, P. F.; Chelazzi, L.; Bonazzi, P.; Bindi, L.","High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: An in-situ single-crystal X-ray study Note: P = 7.42 GPa","American Mineralogist","2009","94","","352","358","10.2138/am.2009.3030","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9015008","6.827","","6.827","","6.779","","90","","90","","120","","273.625","","","","","","","","","","","","Synthetic","4","P 31 2 1","P 31 2""","152","","","Stillwellite-(La)","- B4 La4 O15 Si3 -","- B3 La3 O15 Si3 -","- B3 La3 O15 Si3 -","1","0.166667","","Belokoneva, E. L.; Shuvaeva, V. A.; Antipin M Yu; Leonyuk, N. I.","Crystal structure of a high-temperature modification of LaBSiO5, a synthetic analog of stillwellite Note: T = 473 K","Zhurnal Neorganicheskoi Khimii","1996","41","","1097","1101","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015938","7.055","","7.055","","6.439","","90","","90","","120","","277.551","","","","","","","","","","","","Synthetic","4","P 31 2 1","P 31 2""","152","","","Rhabdophane-(Ce)","- Ce H2 O5 P -","- Ce H2 O5 P -","- Ce3 H6 O15 P3 -","3","0.5","","Mooney, R. C. L.","Crystal structures of a series of rare earth phosphates","Journal of Chemical Physics","1948","16","","1003","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9015968","6.8035","","6.8035","","6.6487","","90","","90","","120","","266.521","","","","","","","","","","","","Synthetic","4","P 31 2 1","P 31 2""","152","","","Stillwellite-(Nd)","- B Nd O5 Si -","- B Nd O5 Si -","- B3 Nd3 O15 Si3 -","3","0.5","","Shi, Y.; Liang, J. K.; Zhang, H.; Yang, J. L.; Zhuang, W. D.; Rao, G. H.","Crystal structure and vibrational spectra studies of stillwellite compounds NdBSiO5","Journal of Alloys and Compounds","1997","259","","163","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017201","9.404","","9.404","","15.92","","90","","90","","120","","1219.27","","","","","","","","","","","","Roosevelt mine, South Dakota, USA","6","P 31 2 1","P 31 2""","152","","","Faheyite","- Be2 Fe2 H12 Mn O22 P4 -","- Be2 Fe2 H12 Mn O22 P4 -","- Be6 Fe6 H36 Mn3 O66 P12 -","3","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of faheyite, Mn2+Fe3+2[Be2(PO4)4](H2O)6: a new twist for the [Be(PPhi4)2] chain","The Canadian Mineralogist","2015","53","","199","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017339","6.968","","6.968","","6.41","","90","","90","","120","","269.529","","","","","","","","","","","","Synthetic","4","P 31 2 1","P 31 2""","152","","","Bassanite","- Ca H1.62 O4.81 S -","- Ca H1.62 O4.81 S -","- Ca3 H4.86 O14.43 S3 -","3","0.5","","Abriel, W.","Calcium sulfat subhydrat, CaSO4.0,8H2O","Acta Crystallographica, Section C","1983","39","","956","958","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017374","6.937","","6.937","","6.345","","90","","90","","120","","264.427","","","","","","","","","","","","Synthetic","4","P 31 2 1","P 31 2""","152","","","Bassanite","- Ca H O4.5 S -","- Ca H O4.5 S -","- Ca3 H3 O13.5 S3 -","3","0.5","","Abriel, W.; Nesper, R.","Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen","Zeitschrift fur Kristallographie","1993","205","","99","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""