# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T19:58:47+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -3' 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
"1001363","14.705","0.004","14.705","0.004","7.3986","0.0005","90","","90","","120","","1385.5","","","","","","","","","","","","","4","P -3","-P 3","147","","Tetramolybdenum(III) tecto-hexaphosphodisilicate","","- Mo4 O25 P6 Si2 -","- Mo4 O25 P6 Si2 -","- Mo12 O75 P18 Si6 -","3","0.5","","Leclaire, A; Lamire, M; Raveau, B","Mo~4~ P~6~ Si~2~ O~25~, an Mo(^III^) phosphosilicate closely related to V~3~ P~5~ Si O~19~: oxygen non-stoichiometry in silicophosphates.","Acta Crystallographica C (39,1983-)","1988","44","","1181","1184","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001626","7.633","0.004","7.633","0.004","7.133","0.003","90","","90","","120","","359.9","","","","","","","","","","","","","3","P -3","-P 3","147","","Tricadmium phosphide trichloride","","- Cd3 Cl3 P -","- Cd3 Cl3 P -","- Cd6 Cl6 P2 -","2","0.333333","","Rebbah, A; Yazbeck, J; Deschanvres, A","Etude structurale des composes Cd3 Y X3 (Y=As, P, X=Cl, Br, I)","Revue de Chimie Minerale","1981","18","","43","53","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007003","12.285","0.003","12.285","0.003","5.494","0.001","90","","90","","120","","718.1","","","","","","","","","","","","","4","P -3","-P 3","147","","CADMIUM CYCLO-TRIPHOSPHATE 14-HYDRATE","","- Cd3 H28 O32 P6 -","- Cd3 H53.332 O30.333 P6 -","- Cd3 H53.332 O30.333 P6 -","1","0.166667","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Etude a basse temperature du trimetaphosphate de cadmium tetradeca- hydrate Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1533","1535","10.1107/S0567740876005712","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007004","12.197","0.002","12.197","0.002","5.47","0.001","90","","90","","120","","704.7","","","","","","","","","","","","","4","P -3","-P 3","147","","CADMIUM CYCLO-TRIPHOSPHATE 14-HYDRATE","","- Cd3 H28 O32 P6 -","- Cd3 H53.332 O30.333 P6 -","- Cd3 H53.332 O30.333 P6 -","1","0.166667","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Etude a basse temperature du trimetaphosphate de cadmium tetradeca- hydrate Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1533","1535","10.1107/S0567740876005712","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007056","12.228","0.005","12.228","0.005","5.451","0.003","90","","90","","120","","705.9","","","","","","","","","","","","","4","P -3","-P 3","147","","CADMIUM CYCLO-TRIPHOSPHATE 14-HYDRATE","","- Cd3 H28 O32 P6 -","- Cd3 H16.667 O25.333 P6 -","- Cd3 H16.667 O25.333 P6 -","1","0.166667","","Averbuch-Pouchot, M T; Durif, A; Tordjman, I","Cadmium trimetaphosphate tetradecahydrate, Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~","Crystal Structure Communications","1973","2","","89","90","","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008078","3.874","","3.874","","6.332","","90","","90","","120","","82.3","","","","","","","","","","","","","3","P -3","-P 3","147","","Europium copper(I) sulfide (.7/2/2)","","- Cu1.9998 Er0.6666 S1.9998 -","- Cu2 Er0.6667 S2 -","- Cu2 Er0.6667 S2 -","1","0.166667","","Ballestracci, R; Bertaut, E F","Etude cristallographique de nouveaux sulfures de terres rares et de cuivre(I)","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","575","579","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008188","3.898","","3.898","","6.218","","90","","90","","120","","81.8","","","","","","","","","","","","","3","P -3","-P 3","147","","Erbium copper(I) sulfide (.9/1.3/2)","","- Cu1.3333 Er0.8889 S2 -","- Cu1.3334 Er0.8889 S2 -","- Cu1.3334 Er0.8889 S2 -","1","0.166667","","Ballestracci, R; Bertaut, E F","Etude cristallographique de nouveaux sulfures de terres rares et de cuivre (I)","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","575","579","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008967","3.874","","3.874","","6.332","","90","","90","","120","","82.3","","","","","","","","","","","","","3","P -3","-P 3","147","","Erbium copper(I) sulfide (.67/2/2)","","- Cu2 Er0.667 S2 -","- Cu2 Er0.6667 S2 -","- Cu2 Er0.6667 S2 -","1","0.166667","","Ballestracci, R; Bertaut, E F","Etude cristallographique de nouveaux sulfures de terres rares et de cuivre (I)","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","575","579","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010523","5.441","0.004","5.441","0.004","6.133","0.007","90","","90","","120","","157.2","","","","","","","","","","","","","3","P -3","-P 3","147","","Sodium sulfate(IV)","","- Na2 O3 S -","- Na2 O3 S -","- Na4 O6 S2 -","2","0.333333","","Zachariasen, W H; Buckley, H E","The Crystal Lattice of Anhydrous Sodium Sulphite,Na~2~ S O~3~","Physical Review (1,1893-132,1963/141,1966-188,1969)","1931","37","","1295","1305","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011093","4.95","","4.95","","16.5","","90","","90","","120","","350.1","","","","","","","","","","","","synthetic","4","P -3","-P 3","147","","Disodium magnesium carbonate","Eitelite","- C2 Mg Na2 O6 -","- C1.83333 Mg Na2 O6 -","- C11 Mg6 Na12 O36 -","6","1","","Eitel, W; Skaliks, W","Ueber einige Doppelcarbonate der Alkalien und Erdalkalien","Zeitschrift fuer Anorganische und Allgemeine Chemie","1929","183","","263","286","10.1002/zaac.19291830119","","","","","","","","","","","","","","","","","","","","","has coordinates","202122","2020-10-21","18:00:00",""
"1100426","16.151","0.002","16.151","0.002","8.203","0.002","90","","90","","120","","1853.11","","","","","","","","","","","","","5","P -3","-P 3","147","","","","- C36 H33 B Cr3 O9 -","- C112 H99 B Cr9 O27 -","- C224 H198 B2 Cr18 O54 -","2","0.333333","","Elschenbroich, Christoph; Kühlkamp, Peter; Behrendt, Andreas; Harms, Klaus","Metall-π-Komplexe von Benzolderivaten, 49. Halbsandwichkomplexe des Trimesitylborans Mes~3~B: Darstellung und Struktur von Mes~2~B[(η^6^-Mes)Cr(CO)~3~], MesB[(η^6^-Mes)Cr(CO)~3~]~2~ und B[(η^6^-Mes)Cr(CO)~3~]~3~. Redoxverhalten und Fragen der intramolekularen Wechselwirkung","Chemische Berichte","1996","129","7","859","869","10.1002/cber.19961290720","","","","","","","","","","","","","","","","","","","","","has coordinates","177579","2020-10-21","18:00:00",""
"1501596","17.1474","0.0004","17.1474","0.0004","5.3885","0.0002","90","","90","","120","","1372.13","0.07","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P -3","-P 3","147","","","","- C24 H30 N3 O10 P -","- C24 H30 N3 O10 P -","- C48 H60 N6 O20 P2 -","2","0.333333","","Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest","Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets","Angew. Chem. Int. Ed.","2005","44","","4021","4025","10.1002/anie.200500198","","","1.54178","CuKα","","0.0773","0.0682","","","0.1984","0.2065","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501597","16.9535","0.0008","16.9535","0.0008","5.2396","0.0003","90","","90","","120","","1304.21","0.11","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -3","-P 3","147","","","","- C21 H24 N3 O10 P -","- C21 H24 N3 O10 P -","- C42 H48 N6 O20 P2 -","2","0.333333","","Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest","Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets","Angew. Chem. Int. Ed.","2005","44","","4021","4025","10.1002/anie.200500198","","","1.54178","CuKα","","0.0841","0.0772","","","0.266","0.2729","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501598","17.4823","0.0008","17.4823","0.0008","5.0683","0.0008","90","","90","","120","","1341.5","0.2","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -3","-P 3","147","","","","- C24 H24 N3 O10 P -","- C24 H24 N3 O10 P -","- C48 H48 N6 O20 P2 -","2","0.333333","","Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest","Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets","Angew. Chem. Int. Ed.","2005","44","","4021","4025","10.1002/anie.200500198","","","1.54178","CuKα","","0.1559","0.0956","","","0.2542","0.2886","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508172","22.205","0.003","22.205","0.0017","12.509","0.0011","90","0.002","90","0.002","120","0.005","5341.4","1","173","2","173","2","","","","","","","MAT ETH Zurich","3","P -3","-P 3","147","","","","- C146 H118 O11 -","- C146.001 H78 O10.986 -","- C292.002 H156 O21.972 -","2","0.333333","","Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji","A two-dimensional polymer prepared by organic synthesis.","Nature chemistry","2012","4","4","287","291","10.1038/nchem.1265","","","0.71073","MoKα","","0.1466","0.1362","","","0.3889","0.3989","","","","","","3.137","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508817","14.55145","0.00028","14.55145","","7.53483","0.00016","90","","90","","120","","1381.71","0.04","","","","","","","","","","","","4","P -3","-P 3","147","","","","- Mn5 O24 Pb S6 -","- Mn5 O24 Pb S6 -","- Mn15 O72 Pb3 S18 -","3","0.5","","West, D.V.; McQueen, T.M.; Posen, I.D.; Ke, X.; Huang, Q.; Zandbergen, H.W.; Williams, A.J.; Schiffer, P.; Cava, R.J.","The A2+Mn5(SO4)6 family of triangular lattice, ferrimagnetic sulfates","Journal of Solid State Chemistry","2009","182","6","1343","","10.1016/j.jssc.2009.03.001","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508818","14.5038","0.0005","14.5038","","7.51859","0.00027","90","","90","","120","","1369.72","0.07","","","","","","","","","","","","4","P -3","-P 3","147","","","","- Mn5 O24 S6 Sr -","- Mn5 O24 S6 Sr -","- Mn15 O72 S18 Sr3 -","3","0.5","","West, D.V.; McQueen, T.M.; Posen, I.D.; Ke, X.; Huang, Q.; Zandbergen, H.W.; Williams, A.J.; Schiffer, P.; Cava, R.J.","The A2+Mn5(SO4)6 family of triangular lattice, ferrimagnetic sulfates","Journal of Solid State Chemistry","2009","182","6","1343","","10.1016/j.jssc.2009.03.001","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509758","11.5887","","11.5887","","6.2386","","90","","90","","120","","725.583","","","","","","","","","","","","","3","P -3","-P 3","147","","Ag25 Bi2 Bi O18","","- Ag25 Bi3 O18 -","- Ag25 Bi3 O18 -","- Ag25 Bi3 O18 -","1","0.166667","","Bortz, M.; Jansen, M.","Ag25Bi3O18, eine potentiell valenzinstabile Bi(III)/ Bi(V) - Verbindung","Angewandte Chemie (German Edition)","1991","103","","841","842","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510587","12.215","","12.215","","8.509","","90","","90","","120","","1099.5","","","","","","","","","","","","","2","P -3","-P 3","147","","","","- Au7 In3 -","- Au7 In3 -","- Au42 In18 -","6","1","","Puselj, M.; Schubert, K.","Kristallstrukturen von Au9 In4 (h) und Au7 In3","Journal of the Less-Common Metals","1975","41","","33","44","10.1016/0022-5088(75)90091-0","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510824","10.9531","","10.9531","","5.9353","","90","","90","","120","","616.662","","","","","","","","","","","","","3","P -3","-P 3","147","","Ru3 U B2","","- B2 Ru3 U -","- B2 Ru3 U -","- B16 Ru24 U8 -","8","1.33333","","Rogl, P.","The crystal structure of Ru3 U B2","Journal of Nuclear Materials","1980","92","","292","298","10.1016/0022-3115(80)90113-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511335","9.456","","9.456","","6.905","","90","","90","","120","","534.699","","","","","","","","","","","","","4","P -3","-P 3","147","","Ca9.93 (P5.84 B0.16 O24) (B0.67 O1.79)","","- B0.83 Ca9.93 O25.79 P5.84 -","- B0.83 Ca9.926 O25.794 P5.838 -","- B0.83 Ca9.926 O25.794 P5.838 -","1","0.166667","","Ito, A.; Miura, N.; Akao, M.; Otsuka, R.; Tsutsumi, S.","Flux growth and crystal structure of boron-containing apatite","Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi","1988","96","","305","309","10.2109/jcersj.96.305","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511412","5.207","","5.207","","6.303","","90","","90","","120","","147.997","","","","","","","","","","","","","3","P -3","-P 3","147","","Ni W2 B15","","- B15 Ni W2 -","- B14.9994 Ni W2 -","- B14.9994 Ni W2 -","1","0.166667","","Haschke, H.; Benesovsky, F.; Nowotny, H.","Bor-reiche Wolframboride","Monatshefte fuer Chemie (-108,1977)","1967","98","","547","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511712","5.206","","5.206","","6.335","","90","","90","","120","","148.691","","","","","","","","","","","","","2","P -3","-P 3","147","","W1.83 B9","","- B9 W1.83 -","- B9 W1.83 -","- B18 W3.66 -","2","0.333333","","Benesovsky, F.; Haschke, H.; Nowotny, H.","Bor-reiche Wolframcarbide","Monatshefte fuer Chemie (-108,1977)","1967","98","","547","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512366","18.68118","0.00013","18.68118","0.00013","11.51988","0.00009","90","","90","","120","","3481.67","0.04","173","","173","","","","","","","","","5","P -3","-P 3","147","","","","- C47 H58.33 Cu2 N4 O8 -","- C46 H56 Cu2 N4 O8 -","- C138 H168 Cu6 N12 O24 -","3","0.5","","Cordes, Jens; Murray, Philip R. D.; White, Andrew J. P.; Barrett, Anthony G. M.","1,7-Diazaspiro[5.5]undecane - A Neglected Heterocycle.","Organic letters","2013","15","19","4992","4995","10.1021/ol402301g","","","1.54184","CuKα","","0.0455","0.0377","","","0.0965","0.102","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512770","13.9275","0.0012","13.9275","0.0012","8.025","0.0006","90","","90","","120","","1348.1","0.19","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C7 H9 Mg N O5 -","- C7 H9 Mg N O5 -","- C42 H54 Mg6 N6 O30 -","6","1","","Paul J. Calderone; Debasis Banerjee; Anna M. Plonka; Sun Jin Kim; John B. Parise","Temperature dependent structure formation and photoluminescence studies of a series of magnesium-based coordination networks","Inorganica Chimica Acta","2013","394","","452","458","10.1016/j.ica.2012.08.033","","","0.41328","synchrotron","","0.0742","0.0511","","","0.1465","0.1724","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512887","22.266","0.003","22.266","0.003","10.33","0.002","90","","90","","120","","4435.2","1.2","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C132 H124 Cl6 Cu6 Mn2 N24 O67 -","- C132 H108 Cl6 Cu6 Mn2 N24 O67 -","- C132 H108 Cl6 Cu6 Mn2 N24 O67 -","1","0.166667","","Xiao-Ming Shi; Chang-Xin Li; Xiao-Zeng Li; Shi Ren; Li-Na Zhu","Polynuclear complexes of a new macrocyclic oxamide metalloligand: Syntheses, crystal structures and deoxyribonucleic acid cleavage and magnetic properties","Inorganica Chimica Acta","2013","395","","197","202","10.1016/j.ica.2012.11.003","","","0.71073","MoKα","","0.0673","0.0619","","","0.1896","0.1951","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512925","8.386","0.0012","8.386","0.0012","6.8655","0.0019","90","","90","","120","","418.13","0.14","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C6 H24 Br2 Ca O6 -","- C6 H24 Br2 Ca O6 -","- C6 H24 Br2 Ca O6 -","1","0.166667","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0426","0.0399","","","0.1027","0.1038","","","","","","1.298","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513263","14.5525","0.0008","14.5525","0.0008","17.0822","0.0017","90","","90","","120","","3132.9","0.4","213","2","213","2","","","","","","","","3","P -3","-P 3","147","","","","- C24 H30 O2 -","- C24 H30 O2 -","- C144 H180 O12 -","6","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","1.5418","CuKα","","0.0813","0.0794","","","0.2672","0.2729","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513265","14.66","0.002","14.66","0.002","19.643","0.004","90","","90","","120","","3656","1","150","2","150","2","","","","","","","","3","P -3","-P 3","147","","","","- C28 H38 O2 -","- C28 H38 O2 -","- C168 H228 O12 -","6","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","0.71073","MoKα","","0.3657","0.1061","","","0.1286","0.1944","","","","","","0.939","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513877","13.0245","","13.0245","","11.15","0.08","90","","90","","120","","1638","12","122","1","122","1","","","","","","","","6","P -3","-P 3","147","","","","- C30 H30 Er I3 N4 O3 -","- C30 H30 Er I3 N4 O3 -","- C60 H60 Er2 I6 N8 O6 -","2","0.333333","","Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan","Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation","Chemical Science","2014","5","4","1650","","10.1039/c3sc53044b","","","0.71073","","","0.0959","0.0653","","","","0.1764","","","","","","1.1027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515776","16.5444","0.0008","16.5444","0.0008","11.2559","0.0011","90","","90","","120","","2668.2","0.3","125","2","125","2","","","","","","","","7","P -3","-P 3","147","","","","- C45 H43 B2 F15 Ga N9 S3 -","- C39 H34 B2 F15 Ga N6 S3 -","- C78 H68 B4 F30 Ga2 N12 S6 -","2","0.333333","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0518","0.0354","","","0.0735","0.0767","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515781","11.4967","0.0017","11.4967","0.0017","16.993","0.005","90","","90","","120","","1945.1","0.7","125","2","125","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H86 B2 Ga2 I2 N18 S6 -","- C42 H68 B2 Ga2 I2 N12 S6 -","- C42 H68 B2 Ga2 I2 N12 S6 -","1","0.166667","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0747","0.0653","","","0.1748","0.1792","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516729","13.64705","","13.64705","","14.73999","","90","","90","","120","","2377.42","","","","293","","","","","","","","","6","P -3","-P 3","147","","","?PN14?","- C51 H42 Cu I N3 P3 -","- C51 H42 Cu I N3 P3 -","- C102 H84 Cu2 I2 N6 P6 -","2","0.333333","","Maini, Lucia; Mazzeo, Paolo P.; Farinella, Francesco; Fattori, Valeria; Braga, Dario","Mechanochemical preparation of copper iodide clusters of interest for luminescent devices.","Faraday discussions","2014","170","","93","107","10.1039/c3fd00164d","powder diffraction","","1.5406","CuKα","","","","","","","","","","1.78","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517077","51.114","0.008","51.114","0.008","24.362","0.005","90","","90","","120","","55122","17","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C270.75 H371 Cd18 Cl8 N18 O105.92 Tb6 -","- C270.75 H371 Cd18 Cl8 N18 O105.917 Tb6 -","- C1624.5 H2226 Cd108 Cl48 N108 O635.5 Tb36 -","6","1","","Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J.","FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications","Faraday Discussions","2014","","","","","10.1039/C4FD00117F","","","0.710747","MoKα","","0.1155","0.069","","","0.1754","0.2225","","","","","","1.062","","1518679","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517080","51.304","0.007","51.304","0.007","24.418","0.005","90","","90","","120","","55660","16","223","1","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C273.75 H384.5 Cd18 Cl8 Eu6 N18 O109.67 -","- C273.75 H384.5 Cd18 Cl8 Eu6 N18 O109.667 -","- C1642.5 H2307 Cd108 Cl48 Eu36 N108 O658 -","6","1","","Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J.","FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications","Faraday Discussions","2014","","","","","10.1039/C4FD00117F","","","0.710747","MoKα","","0.1219","0.0754","","","0.1806","0.2142","","","","","","1.021","","1518678","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518088","9.43","0.002","9.43","0.002","7.629","0.002","90","","90","","120","","587.5","0.2","","","293","","","","","","","","","4","P -3","-P 3","147","","","","- K3 O8 P2 Sc -","- K3 O8 P2 Sc -","- K9 O24 P6 Sc3 -","3","0.5","","Efremov, V. A.; Melnikov, P. P.; Komissarova, L. N.","Sur de nouveaux composes de type glaserite","Revue de Chimie Minerale","1985","22","","666","675","","","x-ray","0.71069","MoKα","","","0.067","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518089","5.4836","0.0006","5.4836","0.0006","7.9157","0.0009","90","","90","","120","","206.13","0.04","","","293","","","","","","","","","5","P -3","-P 3","147","","","","- Cs K2 O8 P2 Sc -","- Cs0.333333 K0.666667 O2.66667 P0.666667 Sc0.333333 -","- Cs K2 O8 P2 Sc -","3","0.5","","Efremov, V. A.; Melnikov, P. P.; Komissarova, L. N.","Sur de nouveaux composes de type glaserite","Revue de Chimie Minerale","1985","22","","666","675","","","x-ray","1.542","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518678","51.305","0.007","51.305","0.007","24.419","0.005","90","","90","","120","","55664","16","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C254 H317 Cd18 Cl8 Eu6 N18 O92 -","- C254 H317 Cd18 Cl8 Eu6 N18 O92 -","- C1524 H1902 Cd108 Cl48 Eu36 N108 O552 -","6","1","","Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Brown, Katherine A.","Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications","Faraday Discuss.","2014","","","","","10.1039/C4FD00117F","","","0.710747","MoKα","","0.1043","0.069","","","0.1809","0.197","","","","","","1.126","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518679","51.114","0.007","51.114","0.007","24.362","0.005","90","","90","","120","","55122","16","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C254 H317 Cd18 Cl8 N18 O92 Tb6 -","- C254 H317 Cd18 Cl8 N18 O92 Tb6 -","- C1524 H1902 Cd108 Cl48 N108 O552 Tb36 -","6","1","","Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Brown, Katherine A.","Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications","Faraday Discuss.","2014","","","","","10.1039/C4FD00117F","","","0.710747","MoKα","","0.0939","0.0635","","","0.1819","0.1984","","","","","","1.12","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1519679","11.8398","0.0009","11.8398","0.0009","6.57","0.001","90","","90","","120","","797.6","0.15","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C6 H24 Cl2 N36 O8 Zn -","- C6 H24 Cl2 N36 O8 Zn -","- C6 H24 Cl2 N36 O8 Zn -","1","0.166667","","Wang, Kun; Zeng, Dihao; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Li, Zhi-Min; Jin, Xin","Controllable explosion: fine-tuning the sensitivity of high-energy complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12497","12501","10.1039/c5dt01462j","","","0.71073","MoKα","","0.0355","0.0289","","","0.0748","0.0795","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521069","7.223","","7.223","","8.614","","90","","90","","120","","389.198","","","","","","","","","","","","","4","P -3","-P 3","147","","Ca (Al12 Si4 O27)","","- Al12 Ca O27 Si4 -","- Al12 Ca O27 Si4 -","- Al12 Ca O27 Si4 -","1","0.166667","","Grey, I.E.; Hibberson, W.O.; Madsen, I.C.; O'Neill, H.S.C.","Ca Al12 Si4 O27, a new high-pressure phase containing Al6 O19 clusters","Journal of Solid State Chemistry","2000","153","","391","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521808","9.659","","9.659","","7.182","","90","","90","","120","","580.284","","","","","","","","","","","","","10","P -3","-P 3","147","","(Sr0.85 Ce0.06 Na0.05 Ba0.02 Nd0.02)6 (Na0.84 Nd0.12)2 (Ce0.38 La0.31 Sr0.22 Ba0.09)2 (P O4)6 F2 Cl0.021","","- Ba0.3 Ce1.12 Cl0.021 F2 La0.62 Na1.98 Nd0.36 O24 P6 Sr5.54 -","- Ba0.3 Ce1.12 Cl0.021 F2 La0.62 Na1.98 Nd0.36 O24 P6 Sr5.54 -","- Ba0.3 Ce1.12 Cl0.021 F2 La0.62 Na1.98 Nd0.36 O24 P6 Sr5.54 -","1","0.166667","","Rakovan, J.F.; Hughes, J.M.","Strontium in the apatite structure: strontian fluorapatite and belovite-(Ce)","Canadian Mineralogist","2000","38","","839","845","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524013","5.831","","5.831","","4.755","","90","","90","","120","","140.013","","","","","","","","","","","","","4","P -3","-P 3","147","","Na2 Pt (O D)6","","- D6 Na2 O6 Pt -","- D6 Na2 O6 Pt -","- D6 Na2 O6 Pt -","1","0.166667","","Bandel, G.; Muellner, M.; Troemel, M.","Die Kristallstruktur von Na2 Pt (O D)6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","453","","5","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524089","13.245","","13.245","","4.45","","90","","90","","120","","676.075","","","","","","","","","","","","","2","P -3","-P 3","147","","Mg2 Sn1.1","","- Mg2 Sn0.666667 -","- Mg2 Sn0.666667 -","- Mg18 Sn6 -","9","1.5","","Bolotina, N.B.; Bendeliani, N.A.; Dyuzheva, T.I.; Petricek, V.; Petrova, A.E.; Siminov, V.I.","Growth of crystals, composite crystal structures and electrical resistance of high-pressure phases of Mg2 B1+x (B=Sn, Ge)","Journal of Alloys Compd.","1998","278","","29","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","144753","2020-10-21","18:00:00",""
"1524090","12.53","","12.53","","4.175","","90","","90","","120","","567.661","","","","","","","","","","","","","2","P -3","-P 3","147","","Mg2 Ge1.1","","- Ge0.666667 Mg2 -","- Ge0.666667 Mg2 -","- Ge6 Mg18 -","9","1.5","","Bolotina, N.B.; Petrova, A.E.; Dyuzheva, T.I.; Bendeliani, N.A.; Petricek, V.; Siminov, V.I.","Growth of crystals, composite crystal structures and electrical resistance of high-pressure phases of Mg2 B1+x (B=Sn, Ge)","Journal of Alloys Compd.","1998","278","","29","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","144754","2020-10-21","18:00:00",""
"1524899","9.786","","9.786","","7.281","","90","","90","","120","","603.854","","","","","","","","","","","","","6","P -3","-P 3","147","","Ba4 Nd3 Na3 F2 (P O4)6","","- Ba4 F2 Na3 Nd3 O24 P6 -","- Ba4.0002 F2 Na3.0002 Nd3.0002 O24 P6 -","- Ba4.0002 F2 Na3.0002 Nd3.0002 O24 P6 -","1","0.166667","","Mathew, M.; Mayer, I.; Dickens, B.; Schroeder, L.W.","Substitution in barium-fluoride apatite: The crystal structures of Ba10 (P O4)6 F2, Ba6 La2 Na2 (P O4)6 F2 and Ba4 Nd3 Na3 (P O4)6 F2","Journal of Solid State Chemistry","1979","28","","79","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","145755","2020-10-21","18:00:00",""
"1524913","5.63","","5.63","","7.59","","90","","90","","120","","208.348","","","","","","","","","","","","","4","P -3","-P 3","147","","K2 Pb2 (Si2 O7)","","- K2 O Pb2 Si2 -","- K2 O Pb2 Si2 -","- K2 O Pb2 Si2 -","1","0.166667","","McMurdie, H.F.","X-ray studies of compounds in the system Pb O - B2 O3 and K2 O - Pb O - Si O2","Journal of Research of the National Bureau of Standards","1941","26","","489","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526146","11.4935","","11.4935","","20.99","","90","","90","","120","","2401.31","","","","","","","","","","","","","4","P -3","-P 3","147","","Sr1.143 (Ti0.857 Fe0.143) S3","","- Fe0.143 S3 Sr1.143 Ti0.857 -","- Fe0.14619 S3 Sr1.14286 Ti0.85381 -","- Fe3.07 S63 Sr24 Ti17.93 -","21","3.5","","Gourdon, O.; Whangbo Myunghwan; Evain, M.; Jeanneau, E.; Brec, R.; Jobic, S.; Koo, H.-J.","Influence of metal-metal sigma bonding on the structures and physical properties of the hexagonal perovskite-type sulfides Sr9/8 Ti S3, Sr8/7 Ti S3 and Sr8/7 (Ti6/7 Fe1/7) S3","Journal of Solid State Chemistry","2001","162","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","147264","2020-10-21","18:00:00",""
"1526151","12.746","","12.746","","9.14","","90","","90","","120","","1285.95","","","","","","","","","","","","","7","P -3","-P 3","147","","((Mn0.348 Al0.652) (P O4)) (N H (C3 H7)2)0.375 (H2 O)0.125","","- C2.25 H5.875 Al0.652 Mn0.348 N0.375 O4.125 P -","- C2.25 Al0.6525 Mn0.3475 N0.375 O4.125 P -","- C18 Al5.22 Mn2.78 N3 O33 P8 -","8","1.33333","","Novak Tusar, N.; Ristic, A.; Meden, A.; Kaucic, V.","Large-pore molecular sieve (Mn A P O)-50 : synthesis, single-crystal structure analysis and thermal stability","Microporous and Mesoporous Materials","2000","37","","303","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526451","9.7248","","9.7248","","7.1895","","90","","90","","120","","588.831","","","","","","","","","","","","","3","P -3","-P 3","147","","La9.33 (Si O4)6 O2","","- La9.33 O26 Si6 -","- La9.26 O25.96 Si6 -","- La9.26 O25.96 Si6 -","1","0.166667","","Sansom, J.E.H.; Richings, D.; Slater, P.R.","A powder neutron diffraction study of the oxide-ion-conducting apatite-type phases, La9.33 Si6 O26 and La8 Sr2 Si6 O26","Solid State Ionics","2001","139","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","147638","2020-10-21","18:00:00",""
"1526452","9.7083","","9.7083","","7.2377","","90","","90","","120","","590.769","","","","","","","","","","","","","4","P -3","-P 3","147","","(La6.9 Sr3.1) (Si O4)6 O2","","- La6.9 O26 Si6 Sr3.1 -","- La6.9 O26 Si6 Sr3.1 -","- La6.9 O26 Si6 Sr3.1 -","1","0.166667","","Sansom, J.E.H.; Richings, D.; Slater, P.R.","A powder neutron diffraction study of the oxide-ion-conducting apatite-type phases, La9.33 Si6 O26 and La8 Sr2 Si6 O26","Solid State Ionics","2001","139","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","147640","2020-10-21","18:00:00",""
"1526587","6.56","","6.56","","7.413","","90","","90","","120","","276.269","","","","","","","","","","","","","4","P -3","-P 3","147","","K (Sn (N H2)3)","","- H6 K N3 Sn -","- H6 K N3 Sn -","- H12 K2 N6 Sn2 -","2","0.333333","","Scotti, N.; Jacobs, H.","Kaliumtriamidostannat(II), K (Sn (N H2)3) - Synthese und Kristallstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","2275","2278","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527181","6.669","","6.669","","9.353","","90","","90","","120","","360.249","","","","","","","","","","","","","3","P -3","-P 3","147","","Na14 Mn2 O9","","- Mn2 Na14 O9 -","- Mn2 Na14 O9 -","- Mn2 Na14 O9 -","1","0.166667","","Brachtel, G.; Hoppe, R.","Das erste Oxomanganat(II): Na14 Mn2 O9= Na14 (Mn O4)2 O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","438","","97","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","148565","2020-10-21","18:00:00",""
"1527914","6.398","","6.398","","5.547","","90","","90","","120","","196.642","","","","","","","","","","","","","3","P -3","-P 3","147","","Li2 Th N2","","- Li2 N2 Th -","- Li2 N2 Th -","- Li6 N6 Th3 -","3","0.5","","Palisaar, A.P.; Juza, R.","Ternaere Nitride des Zirkons, Thoriums und Urans","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","384","","1","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528468","7.774","","7.774","","16.765","","90","","90","","120","","877.452","","","","","","","","","","","","","4","P -3","-P 3","147","","Ba3 Nb20.8 Si2 O44","","- Ba3 Nb20.8 O44 Si2 -","- Ba3 Nb20.79 O44 Si2 -","- Ba3 Nb20.79 O44 Si2 -","1","0.166667","","Evans, D.M.; Katz, L.","The structure of the seven layer barium niobium silicon oxide, Ba3 Nb21-X Si2 O44 (x=0.2)","Journal of Solid State Chemistry","1973","6","","459","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","150741","2020-10-21","18:00:00",""
"1528978","4.7206","","4.7206","","7.9835","","90","","90","","120","","154.07","","","","","","","","","","","","","4","P -3","-P 3","147","","K Al (S O4)2","","- Al K O8 S2 -","- Al K O8 S2 -","- Al K O8 S2 -","1","0.166667","","West, D.V.; Zandbergen, H.W.; Huang, Q.; McQueen, T.M.; Cava, R.J.","Structural disorder, octahedral coordination and two-dimensional ferromagnetism im anhydrous alums","Journal of Solid State Chemistry","2008","181","","2768","2775","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528979","4.7561","","4.7561","","8.0483","","90","","90","","120","","157.666","","","","","","","","","","","","","4","P -3","-P 3","147","","K Cr (S O4)2","","- Cr K O8 S2 -","- Cr K O8 S2 -","- Cr K O8 S2 -","1","0.166667","","West, D.V.; Zandbergen, H.W.; Huang, Q.; Cava, R.J.; McQueen, T.M.","Structural disorder, octahedral coordination and two-dimensional ferromagnetism im anhydrous alums","Journal of Solid State Chemistry","2008","181","","2768","2775","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528980","4.785","","4.785","","8.3685","","90","","90","","120","","165.937","","","","","","","","","","","","","4","P -3","-P 3","147","","Rb Cr (S O4)2","","- Cr O8 Rb S2 -","- Cr O8 Rb S2 -","- Cr O8 Rb S2 -","1","0.166667","","West, D.V.; Zandbergen, H.W.; Huang, Q.; McQueen, T.M.; Cava, R.J.","Structural disorder, octahedral coordination and two-dimensional ferromagnetism im anhydrous alums","Journal of Solid State Chemistry","2008","181","","2768","2775","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528981","14.4847","","14.4847","","7.5248","","90","","90","","120","","1367.24","","","","","","","","","","","","","4","P -3","-P 3","147","","Pb Mn5 (S O4)6","","- Mn5 O24 Pb S6 -","- Mn5 O24 Pb S6 -","- Mn15 O72 Pb3 S18 -","3","0.5","","West, D.V.; Ke, X.; McQueen, T.M.; Zandbergen, H.W.; Posen, I.D.; Huang, Q.; Cava, R.J.; Williams, A.J.; Schiffer, P.","The A(2+) Mn5 (S O4)6 family of triangular lattice, ferrimagnetic sulfates","Journal of Solid State Chemistry","2009","182","","1343","1350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528982","14.5938","","14.5938","","7.5185","","90","","90","","120","","1386.75","","","","","","","","","","","","","4","P -3","-P 3","147","","Sr Mn5 (S O4)6","","- Mn5 O24 S6 Sr -","- Mn5 O24 S6 Sr -","- Mn15 O72 S18 Sr3 -","3","0.5","","West, D.V.; McQueen, T.M.; Williams, A.J.; Posen, I.D.; Cava, R.J.; Huang, Q.; Ke, X.; Schiffer, P.; Zandbergen, H.W.","The A(2+) Mn5 (S O4)6 family of triangular lattice, ferrimagnetic sulfates","Journal of Solid State Chemistry","2009","182","","1343","1350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529190","4.2718","","4.2718","","9.9078","","90","","90","","120","","156.578","","","","","","","","","","","","","3","P -3","-P 3","147","","K (Sn2 F5)","","- F5 K Sn2 -","- F5 K Sn2 -","- F5 K Sn2 -","1","0.166667","","Yamada, K.; Ahmad, M.M.; Fuess, H.; Okuda, T.; Ohki, H.; Ehrenberg, H.","Structural phase transition of the two-dimensional fluoride ion conductor K Sn2 F5 studied by X-ray diffraction","Solid State Ionics","2004","167","","301","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529191","7.266","","7.266","","9.796","","90","","90","","120","","447.889","","","","","","","","","","","","","3","P -3","-P 3","147","","K (Sn2 F5)","","- F5 K Sn2 -","- F5.00267 K Sn2 -","- F15.008 K3 Sn6 -","3","0.5","","Yamada, K.; Ohki, H.; Ahmad, M.M.; Fuess, H.; Okuda, T.; Ehrenberg, H.","Structural phase transition of the two-dimensional fluoride ion conductor K Sn2 F5 studied by X-ray diffraction","Solid State Ionics","2004","167","","301","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529236","8.24015","0.00011","8.24015","0.00011","6.756612","0.000096","90","","90","","120","","397.31","0.009","300","","300","","","","","","","","","4","P -3","-P 3","147","","","","- C6 H15 N O4 -","- C6 H15 N O4 -","- C12 H30 N2 O8 -","2","0.333333","","M.G. Voronkov; E.A. Zelbst; A.D. Vasilev; M.S. Molokeev; G.A. Kuznetsova","Oxatrane Is a Parent Compound of a New Atrane family: Crystal and Molecular Structure of Triethanolamine N-Oxide","Doklady Chemistry","2014","458","1","172","","10.1134/S0012500814090031","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.71","3.41","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529538","5.418","","5.418","","5.579","","90","","90","","120","","141.829","","","","","","","","","","","","","4","P -3","-P 3","147","","Zr (H P O3)2","","- H2 O6 P2 Zr -","- H2 O6 P2 Zr -","- H2 O6 P2 Zr -","1","0.166667","","Alberti, G.; Constantino, U.; Perego, G.","Structural investigation on layered alpha-zirconium phosphite and zirconium phosphate-phosphites from X-ray powder data","Journal of Solid State Chemistry","1986","63","","455","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530452","15.72","","15.72","","8.772","","90","","90","","120","","1877.3","","","","","","","","","","","","","5","P -3","-P 3","147","","Na3 In (S O4)3 (H2 O)3","","- H6 In Na3 O15 S3 -","- In Na3 O15 S3 -","- In6 Na18 O90 S18 -","6","1","","Mukhtarova, N.N.; Rastsvetaeva, R.K.; Ilyukhin, V.V.; Belov, N.V.","Crystal structure of Na3 In (S O4)3 (H2 O)3","Doklady Akademii Nauk SSSR","1979","244","","602","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533168","9.5211","","9.5211","","6.8725","","90","","90","","120","","539.535","","","","","","","","","","","","","5","P -3","-P 3","147","","Ca10 (P O4)6 ((C O3)0.75 (O H)0.5)","","- C0.75 H0.5 Ca10 O26.75 P6 -","- C0.75 Ca10 O26.75 P6 -","- C0.75 Ca10 O26.75 P6 -","1","0.166667","","Fleet, M.E.; Liu Xiaoyang","Carbonate apatite type A synthesized at high pressure: new space group (P3-) and orientation of channel carbonate ion","Journal of Solid State Chemistry","2003","174","","412","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","159275","2020-10-21","18:00:00",""
"1533169","9.4917","","9.4917","","6.8758","","90","","90","","120","","536.466","","","","","","","","","","","","","5","P -3","-P 3","147","","Ca10 (P O4)6 ((C O3)0.5 (O H))","","- C0.5 H Ca10 O26.5 P6 -","- C0.5 Ca10 O26.5 P6 -","- C0.5 Ca10 O26.5 P6 -","1","0.166667","","Fleet, M.E.; Liu Xiaoyang","Carbonate apatite type A synthesized at high pressure: new space group (P3-) and orientation of channel carbonate ion","Journal of Solid State Chemistry","2003","174","","412","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533174","9.9097","","9.9097","","7.4026","","90","","90","","120","","629.558","","","","","","","","","","","","","9","P -3","-P 3","147","","Ba5.886 (Ce0.59 Nd0.26 La0.15)2 Na2.34 (P O4)6 F (F0.41 Cl0.59)","","- Ba5.886 Ce1.18 Cl0.59 F1.41 La0.3 Na2.34 Nd0.52 O24 P6 -","- Ba5.886 Ce1.18 Cl0.59 F1.41 La0.3 Na2.34 Nd0.52 O24 P6 -","- Ba5.886 Ce1.18 Cl0.59 F1.41 La0.3 Na2.34 Nd0.52 O24 P6 -","1","0.166667","","Friis, H.; Balic-Zunic, T.; Pekov, I.V.; Petersen, O.V.","Kuannersuite-(Ce), Ba6 Na2 REE2 (P O4)6 F Cl, a new member of the apatite group, from the Ilimaussaq alkaline complex, South Greenland: description and crystal chemistry","Canadian Mineralogist","2004","42","","95","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","159286","2020-10-21","18:00:00",""
"1534954","9.3962","","9.3962","","7.2225","","90","","90","","120","","552.233","","","","","","","","","","","","","2","P -3","-P 3","147","","W (N3)6","","- N18 W -","- N18 W -","- N36 W2 -","2","0.333333","","Haiges, R.; Boatz, J.A.; Bau, R.; Yousufuddin, M.; Schroer, T.; Schneider, S.; Christe, K.O.","Polyazide chemistry: the first binary group 6 azides, Mo (N3)6, W (N3)6, [Mo (N3)7]-, and [W (N3)7-, the [N W (N3)4]- and [N Mo (N3)4]-","Angew. Chem. Int. ed.","2005","44","","1860","1865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535686","6.063","","6.063","","69.7","","90","","90","","120","","2218.9","","","","","","","","","","","","","2","P -3","-P 3","147","","Fe Cl3","","- Cl3 Fe -","- Cl3 Fe -","- Cl72 Fe24 -","24","4","","Troyanov, S.I.","Crystal structure of FeCl3 polytyped modifications","Zhurnal Neorganicheskoi Khimii","1993","38","","1946","1949","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536250","3.83","","3.83","","5.4","","90","","90","","120","","68.6","","","","","","","","","","","","","2","P -3","-P 3","147","","Si H","","- H Si -","- H Si -","- H2 Si2 -","2","0.333333","","Dahn, J.R.; Way, B.M.; Tse, J.S.; Fuller, E.","Structures of siloxene and layered polysilane (Si6 H6)","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","17872","17877","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537170","23.56","","23.56","","15.3698","","90","","90","","120","","7388.38","","","","","","","","","","","","","7","P -3","-P 3","147","","Cs22 K13 (K (Eu (H2 O)2 (As W9 O33))6) (H2 O)44","","- As6 Cs22 Eu6 H112 K14 O254 W54 -","- As6 Cs21.96 Eu6 K13.96 O253.98 W54 -","- As6 Cs21.96 Eu6 K13.96 O253.98 W54 -","1","0.166667","","Fukaya, K.; Yamase, T.","Alkali-metal-controlled self-assembly of crown-shaped ring complexes of lanthanide/(alpha-(As W9 O33))(9-): (K (Eu (H2 O)2 (alpha-(As W9 O33)))6)(35-) and (Cs (Eu (H2 O)2 (alpha-(As W9 O33)))4)(23-)","Angew. Chem. Int. ed.","2003","42","","654","658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538336","10.192","","10.192","","6.5","","90","","90","","120","","584.74","","","","","","","","","","","","","3","P -3","-P 3","147","","(O2)2 (Ti7 F30)","","- F30 O4 Ti7 -","- F30 O3.6822 Ti7 -","- F30 O3.6822 Ti7 -","1","0.166667","","Mueller, B.G.","Zur Kenntnis von ((O2)2)2+ ((Ti7 F30)2-","Journal of Fluorine Chemistry","1981","17","","489","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","166805","2020-10-21","18:00:00",""
"1539669","9.601","","9.601","","7.725","","90","","90","","120","","616.683","","","","","","","","","","","","","4","P -3","-P 3","147","","K3 Lu (P O4)2","","- K3 Lu O8 P2 -","- K3 Lu O8 P2 -","- K9 Lu3 O24 P6 -","3","0.5","","Efremov, V.A.; Mel'nikov, P.P.; Komissarova, L.N.","Distortion of the glaserite structure of K3 Lu (P O4)2","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1981","7","","467","471","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540768","9.962","","9.962","","9.984","","90","","90","","120","","858.081","","","","","","","","","","","","","2","P -3","-P 3","147","","","","- C60 I3.83 -","- C60 I3.8286 -","- C60 I3.8286 -","1","0.166667","","Zhou, O.; Cox, D.E.","Structures of C60 intercalation compounds","Journal of Physics and Chemistry of Solids","1992","53","","1373","1390","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542228","10.2226","","10.2226","","7.2055","","90","","90","","120","","652.105","","","","","","","","","","","","","5","P -3","-P 3","147","","(N H4)9 (Fe (S O3)6)","","- Fe H36 N9 O18 S6 -","- Fe H36 N9 O18 S6 -","- Fe H36 N9 O18 S6 -","1","0.166667","","Larsson, L.O.; Niinisto, L.","The crystal structure of ammonium hexasulphitoferrate(III), (N H4)9 (Fe (S O)6)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","859","867","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1542912","23.023","0.004","23.023","0.004","16.459","0.003","90","","90","","120","","7555","2","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","","","- C111 H81 Br2 F18 N15 O22 Zn5 -","- C111 H81 Br2 F18 N15 O22 Zn5 -","- C222 H162 Br4 F36 N30 O44 Zn10 -","2","0.333333","","Bilbeisi, Rana A.; Prakasam, Thirumurugan; Lusi, Matteo; El Khoury, Roberto; Platas-Iglesias, Carlos; Charbonnière, Loïc J.; Olsen, John-Carl; Elhabiri, Mourad; Trabolsi, Ali","[C‒H⋯anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal‒organic structures in aqueous solutions","Chem. Sci.","2016","7","4","2524","","10.1039/C5SC04246A","","","1.54178","CuKα","","0.1205","0.0933","","","0.2711","0.2957","","","","","","1.067","","","","has coordinates","178854","2020-10-21","18:00:00",""
"1544333","5.42708","0.00005","5.42708","0.00005","6.79455","0.00007","90","","90","","120","","173.31","0.003","","","","","","","","","","","","5","P -3","-P 3","147","BaCa2MgSi2O8","","merwinite-like","- Ba Ca2 Mg O8 Si2 -","- Ba Ca2 Mg O8 Si2 -","- Ba Ca2 Mg O8 Si2 -","1","0.166667","","Park, C.-H.; Kim, T.-H.; Yonesaki, Y.; Kumada, N.","A re-investigation of the crystal structure and luminescence of BaCa2MgSi2O8:Eu2+","Journal of Solid State Chemistry","2011","184","","1566","1570","","","","","","","","","","","","","","","","","","","","","","has coordinates","187464","2020-10-21","18:00:00",""
"1544369","11.727","0.002","11.727","","20.29","0.003","90","","90","","120","","2416.5","0.5","127","2","127","2","","","","","","","","8","P -3","-P 3","147","","","","- C60 H72 Br2 F48 I6 K2 N4 O12 -","- C59.964 H72 Br2 F48 I6 K2 N4 O12 -","- C59.964 H72 Br2 F48 I6 K2 N4 O12 -","1","0.166667","","Kumar, Vijith; Pilati, Tullio; Terraneo, Giancarlo; Meyer, Franck; Metrangolo, Pierangelo; Resnati, Giuseppe","Halogen bonded Borromean networks by design: topology invariance and metric tuning in a library of multi-component systems","Chem. Sci.","2017","8","3","1801","","10.1039/C6SC04478F","","","0.71073","MoKα","","0.0419","0.0337","","","0.0887","0.0903","","","","","","1.099","","","","has coordinates,has disorder","193741","2020-10-21","18:00:00",""
"1545123","6.31","0.01","6.31","0.01","10.25","","90","","90","","120","","353.4","0.8","","","","","","","","","","","","3","P -3","-P 3","147","Zr3SO9 anhydrous zirconium oxide sulfate","","","- O9 S Zr3 -","- O9 S Zr3 -","- O18 S2 Zr6 -","2","0.333333","","Li, C.; Daimon, K.; Murase, Y.; Kato, E.","Crystal structure of anhydrous zirconium oxide sulfate","Journal of the Ceramic Society of Japan","1988","96","","980","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","190832","2020-10-21","18:00:00",""
"1548084","13.05","0.0002","13.05","0.0002","16.2992","0.0007","90","","90","","120","","2403.91","0.12","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C51 H29 N3 O13 Zn3 -","- C51 H27 N3 O13 Zn3 -","- C102 H54 N6 O26 Zn6 -","2","0.333333","","Huajun He; En Ma; Yuanjing Cui; Jiancan Yu; Yu Yang; Tao Song; Chuan-De Wu; Xueyuan Chen; Banglin Chen; Guodong Qian","Polarized three-photon-pumped laser in a single MOF microcrystal","Nature Communications","2016","7","","11087","","10.1038/ncomms11087","","","0.71073","MoKα","","0.1279","0.0567","","","0.1294","0.1448","","","","","","1.019","","","","has coordinates","203267","2020-10-21","18:00:00",""
"1548211","5.3043","0.0009","5.3043","0.0009","6.9915","0.0008","90","","90","","120","","170.36","0.05","","","","","","","","","","","","5","P -3","-P 3","147","Na2BaMgP2O8","","","- Ba Mg Na2 O8 P2 -","- Ba Mg Na2 O8 P2 -","- Ba Mg Na2 O8 P2 -","1","0.166667","","Yonesaki, Y.; Matsuda, C.","Crystal structure of Na2MMgP2O8 (M: Ba, Sr, Ca) orthophosphates and their luminescence properties activated by Eu2+; analogous structural behaviors of glaserite-type phosphats and silicates","Journal of Solid State Chemistry","2011","184","","3247","3252","","","","","","","","","","","","","","","","","","","","","","has coordinates","203596","2020-10-21","18:00:00",""
"1551740","12.2874","0.0004","12.2874","0.0004","10.8085","0.0005","90","","90","","120","","1413.24","0.09","183","2","183","2","","","","","","","","5","P -3","-P 3","147","","(tris(2-(3-methyl-2-oxy-benzylideneamino)ethyl)amine)terbium(III)","","- C30 H33 N4 O3 Tb -","- C30 H33 N4 O3 Tb -","- C60 H66 N8 O6 Tb2 -","2","0.333333","","NAGAHARA, Keiko; KANESATO, Masatoshi; SATO, Ken-ichi; GOTO, Midori","Synthesis and Crystal Structure of a Terbium(III) Complex of Tris(2-(2-hydroxy-3-methylbenzylideneamino)ethyl)amine","X-ray Structure Analysis Online","2011","27","","9","","10.2116/xraystruct.27.9","","","0.71073","MoKα","","0.0165","0.0161","","","0.0422","0.0426","","","","","","1.113","","","","has coordinates","216352","2020-10-21","18:00:00",""
"1552872","35.1836","0.0007","35.1836","0.0007","9.7068","0.0002","90","","90","","120","","10406.1","0.4","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C60 H45 N3 P4 -","- C60 H45 N3 P4 -","- C480 H360 N24 P32 -","8","1.33333","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0501","0.0426","","","0.1076","0.1112","","","","","","1.02","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1556478","14.4547","0.0003","14.4547","0.0003","8.7666","0.0003","90","","90","","120","","1586.28","0.07","130","2","130","2","","","","","","","","5","P -3","-P 3","147","","","","- C66 H84 N6 O6 Sn2 -","- C66 H84 N6 O6 Sn2 -","- C66 H84 N6 O6 Sn2 -","1","0.166667","","Zeckert, K.","Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate","Inorganics","2016","4","","19","","10.3390/inorganics4020019","","x-ray","0.71073","MoKα","","0.042","0.0321","","","0.06","0.0621","","","","","","1.056","","","","has coordinates","244961","2020-10-21","18:00:00",""
"1561564","5.2887","0.0007","5.2887","0.0007","7.3026","0.0015","90","","90","","120","","176.89","0.05","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- Ba Li2 Mn O8 V2 -","- Ba Li2 Mn O8 V2 -","- Ba Li2 Mn O8 V2 -","1","0.166667","","Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.","Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase","Journal of Solid State Chemistry","2016","236","","61","68","10.1016/j.jssc.2015.07.039","","","0.71073","MoKα","","0.0207","0.0207","","","0.055","0.0551","","","","","","1.19","","","","has coordinates","263978","2021-04-08","08:40:14",""
"1561680","12.0074","0.0001","12.0074","0.0001","7.8979","0.0001","90","","90","","120","","986.144","0.017","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- K Mo O7 Te1.67 -","- K Mo O7 Te1.66667 -","- K6 Mo6 O42 Te10 -","6","1","","Fukina, D.G.; Suleimanov, E.V.; Nezhdanov, A.V.; Istomin, L.A.","The new tellurium compounds: Na1.5Te2Mo0.5O6.25 and K6(Te94+Te6+)Mo6O42","Journal of Solid State Chemistry","2019","277","","337","345","10.1016/j.jssc.2019.06.024","","","0.71073","MoKα","","0.0331","0.0331","","","0.0711","0.0711","","","","","","1.202","","","","has coordinates,has disorder","264080","2021-04-13","08:37:15",""
"1561967","22.2664","0.0005","22.2664","0.0005","12.561","0.0005","90","","90","","120","","5393.3","0.3","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C108 H160 Cu6 Mo36 N48 O130 P3 -","- C108 H159.96 Cu6 Mo36 N48 O129.98 P3 -","- C108 H159.96 Cu6 Mo36 N48 O129.98 P3 -","1","0.166667","","Li, Na; Mu, Bao; Lv, Lei; Huang, Rudan","Assembly of new polyoxometalate‒templated metal‒organic frameworks based on flexible ligands","Journal of Solid State Chemistry","2015","226","","88","93","10.1016/j.jssc.2015.02.005","","","0.71073","MoKα","","0.1458","0.0909","","","0.2222","0.2604","","","","","","1.036","","","","has coordinates,has disorder","264372","2021-04-21","09:47:08",""
"1561968","22.2807","0.0009","22.2807","0.0009","12.6044","0.0007","90","","90","","120","","5418.9","0.4","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C108 H160 Cu6 Mo36 N48 O122 P3 -","- C108 H159.96 Cu6 Mo36 N48 O121.96 P3 -","- C108 H159.96 Cu6 Mo36 N48 O121.96 P3 -","1","0.166667","","Li, Na; Mu, Bao; Lv, Lei; Huang, Rudan","Assembly of new polyoxometalate‒templated metal‒organic frameworks based on flexible ligands","Journal of Solid State Chemistry","2015","226","","88","93","10.1016/j.jssc.2015.02.005","","","0.71073","MoKα","","0.134","0.0854","","","0.2107","0.2544","","","","","","1.048","","","","has coordinates,has disorder","264372","2021-04-21","09:47:09",""
"1561969","22.2555","0.0009","22.2555","0.0009","12.5854","0.0008","90","","90","","120","","5398.5","0.5","293","2","293","2","","","","","","","","8","P -3","-P 3","147","","","","- C108 H156 Cl Mo36 N48 Ni6 O126 P3 -","- C108 H156 Cl Mo36 N48 Ni6 O126.02 P3 -","- C108 H156 Cl Mo36 N48 Ni6 O126.02 P3 -","1","0.166667","","Li, Na; Mu, Bao; Lv, Lei; Huang, Rudan","Assembly of new polyoxometalate‒templated metal‒organic frameworks based on flexible ligands","Journal of Solid State Chemistry","2015","226","","88","93","10.1016/j.jssc.2015.02.005","","","0.71073","MoKα","","0.1749","0.0973","","","0.2307","0.2978","","","","","","1.025","","","","has coordinates,has disorder","264372","2021-04-21","09:47:09",""
"1562089","14.3563","0.0003","14.3563","0.0003","8.2827","0.0004","90","","90","","120","","1478.39","0.08","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C7 H9 Cd N O5 -","- C7 H9 Cd N O5 -","- C42 H54 Cd6 N6 O30 -","6","1","","Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian","Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids","Journal of Solid State Chemistry","2015","223","","44","52","10.1016/j.jssc.2014.06.006","","","0.71073","MoKα","","0.0448","0.0299","","","0.0742","0.1052","","","","","","1.088","","","","has coordinates","264531","2021-04-26","08:13:49",""
"1563548","13.606","0.0011","13.606","0.0011","6.6411","0.0006","90","","90","","120","","1064.71","0.16","110","2","110","2","","","","","","","","4","P -3","-P 3","147","","Potassium Thorium Hexanitrate","","- K2 N6 O18 Th -","- K2 N6 O18 Th -","- K6 N18 O54 Th3 -","3","0.5","","Sigmon, Ginger E.; Burns, Peter C.","Crystal chemistry of thorium nitrates and chromates","Journal of Solid State Chemistry","2010","183","7","1604","1608","10.1016/j.jssc.2010.04.042","","","0.71073","MoKα","","0.0328","0.0226","","","0.0598","0.0681","","","","","","0.711","","","","has coordinates","266530","2021-06-17","09:16:20",""
"1563701","9.7973","0.0008","9.7973","0.0008","7.3056","0.0008","90","","90","","120","","607.29","0.1","293","2","295.15","","","","","","","","","4","P -3","-P 3","147","","","","- B1.5 O26 P5.5 Sr10 -","- B1.49998 O26 P5.50002 Sr10 -","- B1.49998 O26 P5.50002 Sr10 -","1","0.166667","","Chen, Shuang; Hoffmann, Stefan; Carrillo-Cabrera, Wilder; Akselrud, Lev G.; Prots, Yurii; Schwarz, Ulrich; Zhao, Jing-Tai; Kniep, Rüdiger","Sr10[(PO4)5.5(BO4)0.5](BO2): Growth and crystal structure of a strontium phosphate orthoborate metaborate closely related to the apatite-type crystal structure","Journal of Solid State Chemistry","2010","183","3","658","661","10.1016/j.jssc.2009.12.026","","","0.71073","MoKα","","0.0522","0.0447","","","0.0765","0.0787","","","","","","1.188","","","","has coordinates","266680","2021-06-25","09:34:42",""
"1563736","4.3581","0.0006","4.3581","0.0006","10.1704","0.0014","90","","90","","120","","167.29","0.04","","","","","","","","","","","","3","P -3","-P 3","147","","Rubidium pentafluorodistannate(II) - alpha","","- F5 Rb Sn2 -","- F4.998 Rb Sn2 -","- F4.998 Rb Sn2 -","1","0.166667","","Berastegui, P.; Hull, S.; Eriksson, S.G.","A high temperature superionic phase of CsSn2F5","Journal of Solid State Chemistry","2010","183","2","373","378","10.1016/j.jssc.2009.11.020","","","","","","0.0059","","","","","","","","","","","","","","","has coordinates","266735","2021-06-28","09:44:27",""
"1565174","17.5321","0.0014","17.5321","0.0014","10.9885","0.001","90","","90","","120","","2925.1","0.4","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C19 H25 Co N2 O6 -","- C19 H25 Co N2 O6 -","- C114 H150 Co6 N12 O36 -","6","1","","Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S.","Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant","Catalysis Science & Technology","2022","12","1","282","299","10.1039/D1CY01991K","","","0.71073","MoKα","","0.0903","0.0512","","","0.0983","0.1081","","","","","","1.028","","","","has coordinates,has disorder","272555","2022-02-04","19:03:18",""
"1565814","31.1312","0.0004","31.1312","0.0004","15.5307","0.0003","90","","90","","120","","13035.1","0.3","173","2","173","","","","","","","","","6","P -3","-P 3","147","","","","- C77 H81.33 Cl4.17 Co2 N8 O1.67 -","- C77 H81.3332 Cl4.16667 Co2 N8 O1.66667 -","- C462 H487.999 Cl25 Co12 N48 O10 -","6","1","","Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.","Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand","Chemical Science","2022","13","3","692","697","10.1039/D1SC06514A","","","1.54178","CuKα","","0.0803","0.0605","","","0.1669","0.182","","","","","","1.028","","","","has coordinates","272591","2022-02-04","19:14:56",""
"1568541","16.454","0.0005","16.454","0.0005","9.7316","0.0006","90","","90","","120","","2281.7","0.17","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C9 H0 La0.67 N O4 S -","- C9 La0.666667 N O4 S -","- C54 La4 N6 O24 S6 -","6","1","","Zhao, Xu; Sun, Lu; Zhai, Zhouxiao; Tian, Di; Wang, Ying; Zou, Xiaoqin; Min, Chungang; Zhuang, Changfu","An ultrastable La-MOF for catalytic hydrogen transfer of furfural: <i>in situ</i> activation of the surface.","Nanoscale","2023","15","14","6645","6654","10.1039/d2nr07151g","","","0.71073","MoKα","","0.0744","0.0744","","","0.2083","0.2083","","","","","","1.175","","","","has coordinates","283370","2023-05-05","02:50:25",""
"1568707","18.2429","0.0014","18.2429","0.0014","7.8233","0.0007","90","","90","","120","","2254.8","0.3","250","2","250","2","","","","","","","","5","P -3","-P 3","147","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C78 H84 Fe3 N6 O18 -","3","0.5","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.0933","0.0504","","","0.1213","0.1384","","","","","","1.04","","","","has coordinates,has disorder","283184","2023-05-05","01:11:30",""
"1568709","18.092","0.001","18.092","0.001","7.801","0.0004","90","","90","","120","","2211.3","0.2","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C78 H84 Fe3 N6 O18 -","3","0.5","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.0765","0.0525","","","0.1132","0.1232","","","","","","1.037","","","","has coordinates,has disorder","283184","2023-05-05","01:11:30",""
"1569485","10.9907","0.0008","10.9907","0.0008","23.1929","0.0016","90","","90","","120","","2426.3","0.3","178","","178","","","","","","","","","7","P -3","-P 3","147","","","","- C18 H10 Cl Cu F6 N3 P -","- C19.5 H42 Cl Cu F6 N3 P -","- C78 H168 Cl4 Cu4 F24 N12 P4 -","4","0.666667","","Nakano, Akiyuki; Raut, Vivek S.; Asao, Naoki; Ando, Akane; Fujisawa, Kiyoshi; Higashimura, Hideyuki","Enzyme-inspired catalysts with high activity and selectivity for oxidative polymerization of 2-phenylphenol","Catalysis Science & Technology","2023","13","17","4968","4977","10.1039/D3CY00170A","","","0.71073","MoKα","","0.1336","0.1213","","","0.3052","0.3133","","","","","","1.048","","","","has coordinates","286023","2023-09-05","18:45:57",""
"1569909","19.8544","0.0009","19.8544","0.0009","16.6635","0.0011","90","","90","","120","","5688.7","0.5","170","","170","","","","","","","","","3","P -3","-P 3","147","","","","- C39 H27 N3 -","- C39 H27 N3 -","- C312 H216 N24 -","8","1.33333","","Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng","Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif","Energy & Environmental Science","2023","16","11","5231","5242","10.1039/D3EE02601A","","","1.34139","GaKα","","0.151","0.0927","","","0.2314","0.263","","","","","","1.024","","","","has coordinates","288812","2024-01-06","08:18:03",""
"1570054","9.8109","0.0006","9.8109","0.0006","14.8403","0.0012","90","","90","","120","","1237.06","0.15","293","2","293","2","","","","","","","","3","P -3","-P 3","147","","","","- O25 P6 Pb10 -","- O25 P6 Pb10 -","- O50 P12 Pb20 -","2","0.333333","","Krivovichev, Sergey V.; Engel, Günther","The Crystal Structure of Pb10(PO4)6O Revisited: The Evidence of Superstructure","Crystals","2023","13","9","1371","","10.3390/cryst13091371","","","0.71073","MoKα","","0.0544","0.0413","","","0.0749","0.0771","","","","","","0.866","","","","has coordinates","286823","2023-10-06","06:51:17",""
"1570268","13.35","0.004","13.35","0.004","7.308","0.004","90","","90","","120","","1128","0.8","293","2","293","2","","","","","","","","4","P -3","-P 3","147","Cd5P2SmCl7","","","- Cd5 Cl7 P2 Sm -","- Cd5 Cl7 P2 Sm -","- Cd15 Cl21 P6 Sm3 -","3","0.5","","Qiu, Zhi-Xin; Zheng, Zhe-Xiong; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd<sub>4</sub>P<sub>2</sub>][CdBr<sub>4</sub>].","Chemical science","2023","14","46","13568","13573","10.1039/d3sc04818g","","","0.71073","MoKα","","0.0786","0.0611","","","0.1643","0.181","","","","","","1.005","","","","has coordinates","288739","2024-01-06","07:21:43",""
"2002151","5.5693","0.0004","5.5693","0.0004","7.2706","0.0006","90","","90","","120","","195.3","","","","","","","","","","","","","5","P -3","-P 3","147","","Disilver barium maganese bis(vandate)","","- Ag2 Ba Mn O8 V2 -","- Ag2 Ba Mn O8 V2 -","- Ag2 Ba Mn O8 V2 -","1","0.166667","","Rettich, R; Mueller-Buschbaum, H","Zur Kristallchemie der Silber-Mangan-Oxovanadate Ag2 Ba Mn V2 O8 und (Ag Ca2) Mn2 (V O4)3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","291","295","","","","","","","0.0307","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002226","5.416","","5.416","","6.64","","90","","90","","120","","168.7","","","","","","","","","","","","","4","P -3","-P 3","147","","Strontium chromium(IV) manganese(IV) oxide (3/1.5/1.5/9)","","- Cr1.5 Mn1.5 O9 Sr3 -","- Cr1.5 Mn1.5 O9 Sr3 -","- Cr1.5 Mn1.5 O9 Sr3 -","1","0.166667","","Sander, K; Mueller-Buschbaum, Hk","Zur Kenntnis von Sr2 Cr Mn O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","451","","31","34","10.1002/zaac.19794510105","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003387","21.792","0.004","21.792","0.004","12.566","0.002","90","","90","","120","","5168","1.6","295","2","295","2","","","","","","","chemical synthesis (Sannicol\'o, 1994).","3","P -3","","","","spiro-[4H-cyclopenta[2,1-b:3,4-b']dithiophene-4,1'-cyclopentane]","","- C13 H12 S2 -","- C13 H12 S2 -","- C234 H216 S36 -","18","3","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.034","","","0.035","","","","","1.654","1.654","","","","","has coordinates","266226","2021-06-07","13:35:46",""
"2003540","13.5737","0.0004","13.5737","0.0004","6.6624","0.0003","90","","90","","120","","1063.06","0.07","293","","","","","","","","","","see text","4","P -3","-P 3","147","","","","- Ce K2 N6 O18 -","- Ce K2 N6 O18 -","- Ce3 K6 N18 O54 -","3","0.5","DU1103","Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D.","Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~","Acta Crystallographica Section C","1995","51","6","1029","1032","10.1107/S0108270194014927","","","0.71073","MoKα","","","0.045","","","0.051","","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003788","12.195","0.001","12.1952","","6.713","0.002","90","","90","","120","","864.6","0.3","293","","293","","","","","","","","The literature synthesis (Peringer, 1980) produced (1) in crystalline form","6","P -3","-P 3","147","","","","- C14 H36 F6 Hg O12 S8 -","- C14 H36 F6 Hg O12 S8 -","- C14 H36 F6 Hg O12 S8 -","1","0.166667","HR1049","Hook, J. M.; Dean, P. A. W.; Hockless, D. C. R.","Hexakis(dimethyl sulfoxide)mercury(II) Trifluoromethanesulfonate, a Standard for Solid-State ^199^Hg NMR","Acta Crystallographica Section C","1995","51","8","1547","1549","10.1107/S010827019500196X","","","1.5418","CuKalpha","","","0.036","","","0.046","","","","","2.69","2.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006328","9.672","0.003","9.672","0.003","9.834","0.003","90","","90","","120","","796.7","0.4","298","","298","","","","","","","","","5","P -3","-P 3","147","manganese fluorosilicate hexahydrate","manganese hexafluorosilicate-water (1/6)","","- F6 H12 Mn O6 Si -","- F6 H12 Mn O6 Si -","- F18 H36 Mn3 O18 Si3 -","3","0.5","OH1098","Torii, Akira; Ogawa, Kazuhide; Tamura, Hatsue; Osaki, Kenji","Room-Temperature Form of Manganese Hexafluorosilicate Hexahydrate: a New Model with Submicroscopic Twinning","Acta Crystallographica Section C","1997","53","7","833","836","10.1107/S0108270196015454","","","1.5418","CuKα","","","0.04","","","0.04","","","","","1.39","1.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008115","14.936","0.001","14.936","0.001","9.913","0.001","90","","90","","120","","1915.2","0.3","293","","293","","","","","","","","","5","P -3","-P 3","147","","(1,4,7-Tris(3-tert-butyl-5-methyl-2-hydroxybenzyl)-1,4, 7-triazacyclononanato-N,N',N'',O,O',O'')chromium(III)","","- C42 H60 Cr N3 O3 -","- C42 H60 Cr N3 O3 -","- C84 H120 Cr2 N6 O6 -","2","0.333333","SK1214","Martin, Lisandra L.; Taylor, Max R.; Bei Wu","[1,4,7-Tris(3-<i>tert</i>-butyl-5-methyl-2-hydroxybenzyl)-1,4,7-triazacyclononanato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>,<i>O</i>',<i>O</i>'']chromium(III)","Acta Crystallographica Section C","1999","55","1","41","43","10.1107/S0108270198010956","","","0.71073","MoKα","","0.074","0.062","","0.095","0.091","","","","1.237","1.247","1.247","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2012544","10.178","0.0014","10.178","0.0014","8.098","0.0016","90","","90","","120","","726.5","0.2","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","hexakis(pyrazole-N^2^)copper(II) bis(hexafluoroarsenate)","","- C18 H24 As2 Cu F12 N12 -","- C18 H24 As2 Cu F12 N12 -","- C18 H24 As2 Cu F12 N12 -","1","0.166667","BJ1038","Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean","A copper(II)‒pyrazole complex cation with f̱ øverline 3 imposed symmetry","Acta Crystallographica Section C","2002","58","3","m182","m185","10.1107/S010827010200152X","","","0.71073","MoKα","","0.045","0.036","","","0.093","0.097","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012545","9.995","0.001","9.995","0.001","8.052","0.001","90","","90","","120","","696.63","0.13","173","2","173","2","","","","","","","","8","P -3","-P 3","147","","hexakis(pyrazole-N^2^)copper(II) hexafluorophosphate perchlorate","","- C18 H24 Cl0.714 Cu F7.716 N12 O2.86 P1.29 -","- C18 H24 Cl0.714 Cu F7.716 N12 O2.856 P1.286 -","- C18 H24 Cl0.714 Cu F7.716 N12 O2.856 P1.286 -","1","0.166667","BJ1038","Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean","A copper(II)‒pyrazole complex cation with f̱ øverline 3 imposed symmetry","Acta Crystallographica Section C","2002","58","3","m182","m185","10.1107/S010827010200152X","","","0.71073","MoKα","","0.043","0.037","","","0.092","0.096","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012802","14.882","0.002","14.882","0.002","6.4052","0.0011","90","","90","","120","","1228.5","0.3","150","","150","","","","","","","","","5","P -3","-P 3","147","[Fe(phox)~3~]","Tris[2-(2'-oxazolinyl)-phenolato]iron(II)","","- C27 H24 Fe N3 O6 -","- C27 H24 Fe N3 O6 -","- C54 H48 Fe2 N6 O12 -","2","0.333333","FG1649","Kooijman, Huub; Spek, Anthony L.; Hoogenraad, Marcel; Bouwman, Elisabeth; Haasnoot, Jaap G.; Reedijk, Jan","Tris[2-(2-oxazolin-2-yl)phenolato]iron(III)","Acta Crystallographica Section C","2002","58","7","m390","m392","10.1107/S0108270102009435","","","0.71073","MoKa","","0.1151","0.0741","","","0.1514","0.1681","","","","","","1.188","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013079","14.462","0.002","14.462","0.002","13.902","0.003","90","","90","","120","","2518.1","0.7","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","trans-Carbonyliodotris(triphenylstibine-κSb)rhodium(I)","","- C55 H45 I O Rh Sb3 -","- C55 H45 I O Rh Sb3 -","- C110 H90 I2 O2 Rh2 Sb6 -","2","0.333333","JZ1526","Otto, Stefanus; Roodt, Andreas","<i>trans</i>-Carbonyliodotris(triphenylstibine-κ<i>Sb</i>)rhodium(I)","Acta Crystallographica Section C","2002","58","12","m565","m566","10.1107/S0108270102018747","","","0.71073","MoKα","","0.112","0.031","","","0.047","0.056","","","","","","0.864","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013767","20.983","0.0002","20.983","0.0002","7.6436","0.0001","90","","90","","120","","2914.5","0.05","110","2","110","2","","","","","","","","4","P -3","-P 3","147","","cyclohexanone oxime","","- C6 H11 N O -","- C6 H11 N O -","- C108 H198 N18 O18 -","18","3","FG1726","Lutz, Martin; Spek, Anthony L.; Dabirian, Reza; van Walree, Cornelis A.; Jenneskens, Leonardus W.","Twinning by merohedry in cyclohexanone oxime: a revised structure","Acta Crystallographica Section C","2004","60","2","o127","o129","10.1107/S0108270103029196","","","0.71073","MoKα","","0.0463","0.0366","","","0.0899","0.0972","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013768","20.983","0.0003","20.983","0.0003","7.621","0.0001","90","","90","","120","","2905.88","0.07","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","cyclohexanone oxime","","- C6 H11 N O -","- C6 H11 N O -","- C108 H198 N18 O18 -","18","3","FG1726","Lutz, Martin; Spek, Anthony L.; Dabirian, Reza; van Walree, Cornelis A.; Jenneskens, Leonardus W.","Twinning by merohedry in cyclohexanone oxime: a revised structure","Acta Crystallographica Section C","2004","60","2","o127","o129","10.1107/S0108270103029196","","","0.71073","MoKα","","0.0412","0.0344","","","0.0849","0.0891","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015212","10.292","0.001","10.292","0.001","8.1271","0.0008","90","","90","","120","","745.53","0.13","298","2","299","2","","","","","","","","4","P -3","-P 3","147","","tetrapotassium cobalt tetramolybdate","","- Co K4 Mo4 O15 -","- Co K4 Mo4 O15 -","- Co2 K8 Mo8 O30 -","2","0.333333","SQ1222","Engel, Jens; Ehrenberg, Helmut; Fuess, Hartmut","The K~2<i>n~</i>CoMo~2+<i>n~</i>O~7+4<i>n~</i> family of structures, with <i>n</i> = 2, 3 or 5","Acta Crystallographica Section C","2005","61","11","i111","i112","10.1107/S0108270105025242","","","0.71073","MoKα","","0.0663","0.045","","","0.0878","0.0938","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017665","9.9962","0.0001","9.9962","0.0001","15.5364","0.0003","90","","90","","120","","1344.47","0.03","293","","293","","","","","","","","","4","P -3","-P 3","147","","silver thallium molybdenum selenide","","- Ag2.535 Mo12 Se15 Tl2 -","- Ag2.535 Mo12 Se15 Tl2 -","- Ag5.07 Mo24 Se30 Tl4 -","2","0.333333","FN3050","Gougeon, P.; Gall, P.; Gautier, R.; Potel, M.","Ag~2.54~Tl~2~Mo~12~Se~15~: a new structure type containing Mo~6~ and Mo~9~ clusters","Acta Crystallographica Section C","2010","66","6","i67","i70","10.1107/S0108270110018536","","","0.71069","MoKα","","0.0807","0.0476","","","0.0732","0.0794","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017835","8.8941","0.00011","8.8941","0.00011","9.68482","0.00013","90","","90","","120","","663.478","0.015","110","2","110","2","","","","","","","","6","P -3","-P 3","147","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O4 S Zn -","- C12 H48 N12 O8 S2 Zn2 -","2","0.333333","GG3243","Lutz, Martin","Twinned low-temperature structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section C","2010","66","11","m330","m335","10.1107/S0108270110041466","","","0.71073","MoKα","","0.0157","0.0153","","","0.0374","0.0375","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020184","7.817","","7.817","","5.235","","90","","90","","120","","277.03","","","","","","","","","","","","","4","P -3","-P 3","147","","Ni (Br O4)2 (H2 O)6","","- Br2 H12 Ni O14 -","- Br2 H12 Ni O14 -","- Br2 H12 Ni O14 -","1","0.166667","","Gallucci, J.C.; Gerkin, R.E.; Reppart, W.J.","Structure of nickel(II) perbromate hexahydrate at 169K","Acta Crystallographica C (39,1983-)","1988","44","","1345","1348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020269","17.593","","17.593","","6.238","","90","","90","","120","","1672.07","","","","","","","","","","","","","3","P -3","-P 3","147","","Th (Mo O4)2","","- Mo2 O8 Th -","- Mo2 O8 Th -","- Mo18 O72 Th9 -","9","1.5","","Larson, E.M.; Eller, P.G.; Cremers, T.L.; Penneman, R.A.; Herrick, C.C.","Structure of trigonal thorium molybdate","Acta Crystallographica C (39,1983-)","1989","45","","1669","1672","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2100563","17.55","0.02","17.55","0.02","8.08","0.01","90","","90","","120","","2155","4","293","2","293","2","","","","","","","","3","P -3","-P 3","147","","","","- C4 H10 O -","- C4 H10 O -","- C72 H180 O18 -","18","3","WS5038","P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark","Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)","Acta Crystallographica, Section B","2006","62","4","599","605","10.1107/S0108768106015424","","","0.71073","MoKα","","0.2147","0.115","","","0.2598","0.2947","","","","","","1.015","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100564","18.0946","0.0013","18.0946","0.0013","8.4041","0.0009","90","","90","","120","","2383","0.4","220","2","220","2","","","","","","","","3","P -3","-P 3","147","","","","- C4 H10 O -","- C4 H10 O -","- C72 H180 O18 -","18","3","WS5038","P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark","Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C~4~H~10~O)","Acta Crystallographica Section B","2006","62","4","599","605","10.1107/S0108768106015424","","","0.71073","MoKα","","0.057","0.044","","","0.1221","0.1307","","","","","","1.069","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100567","17.4389","","17.4389","","8.021","","90","","90","","120","","2112.5","","","","","","","","","","","","","3","P -3","-P 3","147","","","","- C4 H10 O -","- C72 H180 O18 -","- C72 H180 O18 -","","","WS5038","P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark","Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)","Acta Crystallographica, Section B","2006","62","4","599","605","10.1107/S0108768106015424","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100568","17.5898","","17.5898","","8.1014","","90","","90","","120","","2170.76","","","","","","","","","","","","","3","P -3","-P 3","147","","","","- C4 H10 O -","- C72 H180 O18 -","- C72 H180 O18 -","","","WS5038","P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark","Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)","Acta Crystallographica, Section B","2006","62","4","599","605","10.1107/S0108768106015424","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102131","16.131","0.002","16.131","0.002","7.175","0.002","90","","90","","120","","1616.9","0.5","293","2","293","2","","","","","","","","4","P -3","-P 3","147","","","","- K3 Nd O17 Si7 -","- K3 Nd O17 Si7 -","- K12 Nd4 O68 Si28 -","4","0.666667","BS0011","Haile, S. M.; Wuensch, B. J.","X-ray diffraction study of K~3~NdSi~7~O~17~: a new framework silicate with a linear Si—O—Si bond","Acta Crystallographica Section B","2000","56","5","773","779","10.1107/S0108768100006704","","","0.71073","MoKα","","0.0264","0.026","","0.071","0.0702","","","","1.265","1.277","1.277","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103212","11.522","","11.522","","7.933","","90","","90","","120","","912.061","","","","","","","","","","","","","6","P -3","-P 3","147","","","","- C12 H10 B Mn N6 O3 -","- C12 B Mn N6 O3 -","- C24 B2 Mn2 N12 O6 -","2","0.333333","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199499","2020-10-21","18:00:00",""
"2103213","11.464","","11.464","","8.091","","90","","90","","120","","920.885","","","","","","","","","","","","","6","P -3","-P 3","147","","","","- C12 H10 B N6 O3 Tc -","- C12 H13 B N6 O3 Tc -","- C24 H26 B2 N12 O6 Tc2 -","2","0.333333","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199499","2020-10-21","18:00:00",""
"2103343","12.038","","12.038","","14.342","","90","","90","","120","","1799.9","","","","","","","","","","","","","6","P -3","","","","","","- C48 H76 Fe5 N12 O2 S18 -","- C48 Fe5 N12 O6 S18 -","- C48 Fe5 N12 O6 S18 -","1","0.166667","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",""
"2103344","27.171","","27.171","","12.225","","90","","90","","120","","7816.11","","","","","","","","","","","","","4","P -3","","","","","","- C7 H29 B11 N2 -","- C7 B11 N2 -","- C126 B198 N36 -","18","3","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",""
"2105421","9.734","","9.734","","7.279","","90","","90","","120","","597.29","","","","","","","","","","","","","5","P -3","-P 3","147","","Sr9.402 Na0.209 B0.996 O2 (P O4)6","","- B0.996 Na0.209 O26 P6 Sr9.402 -","- B Na0.208 O26 P6 Sr9.402 -","- B Na0.208 O26 P6 Sr9.402 -","1","0.166667","","Calvo, C.; Faggiani, R.; Krishnamachari, N.","The crystal structure of sodium strontium boron dioxide hexaphosphate - a deviant apatite","Acta Crystallographica B (24,1968-38,1982)","1975","31","","188","192","10.1107/S0567740875002336","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106039","6.66","","6.66","","5.77","","90","","90","","120","","221.643","","","","","","","","","","","","","4","P -3","-P 3","147","","Rb2 (Sn (N H2)6)","","- H12 N6 Rb2 Sn -","- H12 N6 Rb2 Sn -","- H12 N6 Rb2 Sn -","1","0.166667","","Chevalier, P.; Ritsma, J.; Rouxel, J.","Structure de Rb2 Sn (N H2)6 et K2 Sn (N H2)6","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1076","1079","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2106141","5.18","","5.18","","7.67","","90","","90","","120","","178.232","","","","","","","","","","","","","4","P -3","-P 3","147","","Ca Zn2 (P O4)2","","- Ca O2 P2 Zn2 -","- Ca O2 P2 Zn2 -","- Ca O2 P2 Zn2 -","1","0.166667","","Czaya, R.","Dehydration and transformation phases of Scholzite Ca Zn2 (P O4)2 (H2 O)2","Acta Crystallographica B (24,1968-38,1982)","1972","28","","322","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106538","4.045","","4.045","","9.9","","90","","90","","120","","140.282","","","","","","","","","","","","","3","P -3","-P 3","147","","Bi2 U O6","","- Bi2 O6 U -","- Bi2 O6 U -","- Bi2 O6 U -","1","0.166667","","Koster, A.S.; Renaud, J.P.P.; Rieck, G.D.","The crystal structures at 295 and 1275 K of bismuth uranate, Bi2 U O6","Acta Crystallographica B (24,1968-38,1982)","1975","31","","127","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106786","6.3073","","6.3073","","7.8907","","90","","90","","120","","271.852","","","","","","","","","","","","","4","P -3","-P 3","147","","K Na Th F6","","- F6 K Na Th -","- F6 K Na Th -","- F12 K2 Na2 Th2 -","2","0.333333","","Brunton, G.","The crystal structure of K Na Th F6","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1185","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107217","6.279","","6.279","","7.069","","90","","90","","120","","241.362","","","","","","","","","","","","","3","P -3","-P 3","147","","K2 (Te O3)","","- K2 O3 Te -","- K2 O3 Te -","- K4 O6 Te2 -","2","0.333333","","Andersen, L.; Langer, V.; Stroemberg, A.; Stroemberg, D.","The structure of K2 Te O3 - an experimental and theoretical study","Acta Crystallographica B (39,1983-)","1989","45","","344","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108073","20.1281","0.0007","20.1281","0.0007","8.9942","0.0003","90","","90","","120","","3155.72","0.19","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1095","0.0572","","","0.1359","0.152","","","","","","0.993","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108074","20.255","0.002","20.255","0.002","9.0132","0.001","90","","90","","120","","3202.4","0.6","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1241","0.0702","","","0.1674","0.1865","","","","","","1.005","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108075","20.3624","0.001","20.3624","0.001","9.0045","0.0005","90","","90","","120","","3233.3","0.3","175","2","175","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1447","0.0726","","","0.1862","0.2044","","","","","","1.049","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108076","20.4697","0.0014","20.4697","0.0014","9.0166","0.0006","90","","90","","120","","3271.9","0.4","200","2","200","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1444","0.0707","","","0.1727","0.1985","","","","","","0.889","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108077","20.688","0.003","20.688","0.003","9.0563","0.0015","90","","90","","120","","3356.7","0.9","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Br4 Co N2 O4 -","- C38 H46 Br4 Co N2 O4 -","- C114 H138 Br12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1516","0.0745","","","0.2007","0.2271","","","","","","1","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108078","20.0094","0.0013","20.0094","0.0013","8.8987","0.0007","90","","90","","120","","3085.5","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1283","0.0951","","","0.24","0.2564","","","","","","1.084","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108079","20.166","0.003","20.166","0.003","8.9271","0.001","90","","90","","120","","3144","0.7","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1778","0.1063","","","0.2802","0.3127","","","","","","1.037","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108080","20.243","0.005","20.243","0.005","8.933","0.005","90","0.005","90","0.005","120","0.005","3170","2","175","2","175","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1692","0.1051","","","0.2779","0.3073","","","","","","1.063","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108081","20.334","0.005","20.334","0.005","8.945","0.005","90","0.005","90","0.005","120","0.005","3203","2","200","2","200","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.1447","0.093","","","0.2479","0.273","","","","","","1.033","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108082","20.643","0.018","20.643","0.018","9.015","0.007","90","","90","","120","","3327","5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C38 H46 Cl4 Co N2 O4 -","- C38 H46 Cl4 Co N2 O4 -","- C114 H138 Cl12 Co3 N6 O12 -","3","0.5","","Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.","Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes","Acta Crystallographica Section B","2017","73","2","304","312","10.1107/S2052520616019235","","","0.56085","AgKα","","0.2478","0.1195","","","0.294","0.35","","","","","","0.869","","","","has coordinates,has Fobs","199049","2020-10-21","18:00:00",""
"2108981","12.3686","0.0002","12.3686","0.0002","21.1962","0.0004","90","","90","","120","","2808.21","0.08","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C6 H24 Co2 N6 O15 -","- C6 H24 Co2 N6 O15 -","- C36 H144 Co12 N36 O90 -","6","1","YH5018","Filatov, Evgeny; Lagunova, Varvara; Kochetygov, Ilia; Plyusnin, Pavel; Kuratieva, Natalia; Kostin, Gennadiy; Korenev, Sergey","Synthesis and investigation of the thermal properties of [Co(NH~3~)~6~][Co(C~2~O~4~)~3~]·3H~2~O and [Ir(NH~3~)~6~][Ir(C~2~O~4~)~3~]","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S205252062200405X","","x-ray","0.71073","MoKα","","0.0474","0.0318","","","0.0795","0.0843","","","","","","1.058","","","","has coordinates,has Fobs","275738","2022-06-02","02:14:54",""
"2200787","15.5665","0.0011","15.5665","0.0011","6.7777","0.0006","90","","90","","120","","1422.31","0.19","297","2","297","2","","","","","","","","5","P -3","-P 3","147","[CdBr4] [CdBr3] + 3 DEAH","","","- C12 H36 Br7 Cd2 N3 -","- C12 H36 Br7 Cd2 N3 -","- C24 H72 Br14 Cd4 N6 -","2","0.333333","WN6067","Willett, Roger D.; Twamley, Brendan","Diethylammonium heptabromidedicadmium(II)","Acta Crystallographica Section E","2001","57","12","m573","m575","10.1107/S1600536801018852","","","0.71073","MoKα","","0.0699","0.0389","","","","0.082","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203798","13.0562","0.0003","13.0562","0.0003","10.4754","0.0005","90","","90","","120","","1546.45","0.09","173","2","173","2","","","","","","","","7","P -3","-P 3","147","","fac-Triaqua[tris(2-pyridyl)amine]chromium(III) trifluoromethanesulfonate","","- C18 H18 Cr F9 N4 O12 S3 -","- C18 H18 Cr F9 N4 O12 S3 -","- C36 H36 Cr2 F18 N8 O24 S6 -","2","0.333333","OB6366","Terasaki, Yukiko; Fujihara, Takashi; Nagasawa, Akira; Kaizaki, Sumio","<i>fac</i>-Triaqua[tris(2-pyridyl)amine-κ^3^<i>N</i>]chromium(III) tris(trifluoromethanesulfonate)","Acta Crystallographica Section E","2004","60","6","m854","m856","10.1107/S1600536804011912","","","0.71073","MoKα","","0.0338","0.0324","","","0.0878","0.0888","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208363","12.334","0.006","12.334","0.006","7.03","0.008","90","","90","","120","","926.2","1.2","149","2","149","2","","","","","","","","7","P -3","-P 3","147","","Hexakis(N,N-dimethylacetamide)nickel(II) bis(tetrafluoroborate) 0.17-hydrate","","- C24 H54.34 B2 F8 N6 Ni O6.17 -","- C24 H54.342 B2 F8 N6 Ni O6.17 -","- C24 H54.342 B2 F8 N6 Ni O6.17 -","1","0.166667","IS6285","Suzuki, Honoh; Ishiguro, Shin-ichi","Hexakis(<i>N</i>,<i>N</i>-dimethylacetamide)nickel(II) bis(tetrafluoroborate) 0.17-hydrate","Acta Crystallographica Section E","2006","62","3","m505","m507","10.1107/S1600536806004612","","","0.71069","MoKα","","0.0665","0.0605","","","0.1475","0.1529","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208804","13.564","0.002","13.564","","6.0108","0.0009","90","","90","","120","","957.7","0.2","295","2","295","2","","","","","","","","7","P -3","-P 3","147","","Hemi{tris(picolinic acid-κ^2^<i>N</i>,<i>O</i>)iron(II)/tris(picolinato- κ^2^<i>N</i>,<i>O</i>)iron(II)} hemi(tetrafluoroborate)","","- C18 H13.5 B0.5 F2 Fe N3 O6 -","- C18 H13.5 B0.5 F2.01 Fe N3 O6 -","- C36 H27 B F4.02 Fe2 N6 O12 -","2","0.333333","BT2049","Onggo, Djulia; Martak, Fatimah; Ismunandar; Yamin, Bohari M.; Ng, Seik Weng","Hemi{tris(picolinic acid-κ^2^<i>N</i>,<i>O</i>)iron(II)/tris(picolinato-κ^2^<i>N</i>,<i>O</i>)iron(II)} hemi(tetrafluoroborate)","Acta Crystallographica Section E","2006","62","5","m1112","m1113","10.1107/S1600536806014000","","","0.71073","MoKα","","0.071","0.065","","","0.151","0.154","","","","","","1.21","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2215413","13.5514","0.0003","13.5514","0.0003","11.4588","0.0006","90","","90","","120","","1822.38","0.11","100","0.1","100","0.1","","","","","","","","7","P -3","-P 3","147","Iodotris(<i>N</i>-butylthiourea-<i>κS</i>) copper(I) 0.6-hydrate","Iodidotris(<i>N</i>,<i>N</i>'-dibutylthiourea-<i>κS</i>)copper(I) 0.6-hydrate","","- C27 H61.2 Cu I N6 O0.6 S3 -","- C27 H60 Cu I N6 O0.6 S3 -","- C54 H120 Cu2 I2 N12 O1.2 S6 -","2","0.333333","CI2443","Islam Ullah Khan; Muhammad Mufakkar; Saeed Ahmad; Hoong-Kun Fun; Suchada Chantrapromma","Tris(<i>N</i>,<i>N</i>'-dibutylthiourea-<i>{κ</i>S})iodidocopper(I) 0.6-hydrate","Acta Crystallographica Section E","2007","63","10","m2550","m2551","10.1107/S1600536807044649","","","0.71073","MoKα","","0.0972","0.0616","","","0.1564","0.1734","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2217419","25.5045","0.0009","25.5045","0.0009","10.0984","0.0007","90","","90","","120","","5688.7","0.5","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","Tris(piperazinediium) bis[tris(pyridine-2,6-dicarboxylato)neodymiumate(III)] 15.33-hydrate","","- C27 H42.33 N6 Nd O20 -","- C27 H42 N6 Nd O20 -","- C162 H252 N36 Nd6 O120 -","6","1","BQ2054","Derikvand, Zohreh; Aghabozorg, Hossein; Nemati, Andya; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar","Tris(piperazinediium) bis[tris(pyridine-2,6-dicarboxylato)neodymate(III)] 15.33-hydrate","Acta Crystallographica Section E","2008","64","2","m350","m351","10.1107/S1600536807068328","","","0.71073","MoKα","","0.0769","0.063","","","0.1808","0.1982","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2223448","18.4405","0.0008","18.4405","0.0008","11.4828","0.0008","90","","90","","120","","3381.6","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","Methyl 9-(4-bromophenyl)-8a,9,9a,10,11,12,13,14a-octahydro-8<i>H</i>- benzo[<i>f</i>]chromeno[3,4-<i>b</i>]indolizine-8a-carboxylate","","- C27 H26 Br N O3 -","- C27 H26 Br N O3 -","- C162 H156 Br6 N6 O18 -","6","1","IS2463","Gunasekaran, B.; Kathiravan, S.; Raghunathan, R.; Chakkaravarthi, G.; Manivannan, V.","Methyl 9-(4-bromophenyl)-8a,9,9a,10,11,12,13,14a-octahydro-8<i>H</i>-benzo[<i>f</i>]chromeno[3,4-<i>b</i>]indolizine-8a-carboxylate","Acta Crystallographica Section E","2009","65","10","o2550","","10.1107/S1600536809037994","","","0.71073","MoKα","","0.1102","0.0423","","","0.0946","0.1075","","","","","","0.849","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225244","18.4876","0.001","18.4876","0.001","11.5021","0.0007","90","","90","","120","","3404.6","0.3","180","2","180","2","","","","","","","","5","P -3","-P 3","147","","Tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')molybdenum(III)","","- C15 H3 F18 Mo O6 -","- C15 H3 F18 Mo O6 -","- C90 H18 F108 Mo6 O36 -","6","1","GK2257","Champouret, Yohan; Poli, Rinaldo; Daran, Jean-Claude","Tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')molybdenum(III)","Acta Crystallographica Section E","2010","66","3","m299","m300","10.1107/S1600536810005489","","","0.71073","MoKα","","0.0716","0.0302","","","0.0555","0.0677","","","","","","0.966","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227630","13.9739","0.0002","13.9739","0.0002","8.1188","0.0001","90","","90","","120","","1372.96","0.03","295","2","295","2","","","","","","","","5","P -3","-P 3","147","","Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^: <i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>- dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^2^<i>O</i>:<i>O</i>') trimagnesium(II)]","","- C7 H9 Mg N O5 -","- C7 H9 Mg N O5 -","- C42 H54 Mg6 N6 O30 -","6","1","HY2348","Yeh, Chun-Ting; Liu, Hsin-Kuan; Lin, Chia-Jing; Lin, Chia-Her","Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^2^<i>O</i>:<i>O</i>')trimagnesium(II)]","Acta Crystallographica Section E","2010","66","10","m1289","","10.1107/S1600536810035907","","","0.71073","MoKα","","0.0793","0.078","","","0.2136","0.214","","","","","","1.396","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228504","14.47","0.004","14.47","0.004","6.284","0.002","90","","90","","120","","1139.5","0.6","153","2","153","2","","","","","","","","5","P -3","-P 3","147","Hexaaquazinc(II)bis[tris(5-carboxypyridine-6-carboxylato)zincate(II)]","Hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate(II)]","","- C42 H36 N6 O30 Zn3 -","- C42 H36 N6 O30 Zn3 -","- C42 H36 N6 O30 Zn3 -","1","0.166667","OM2373","Gharagozlou, Mehrnaz; Langer, Vratislav; Nemati, Andya","Hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate(II)]","Acta Crystallographica Section E","2010","66","12","m1606","m1607","10.1107/S1600536810047252","","","0.71073","MoKα","","0.092","0.0609","","","0.1423","0.158","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2235708","12.2138","0.0004","12.2138","0.0004","9.909","0.0008","90","","90","","120","","1280.15","0.12","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","Tris[hexaamminecobalt(III)] bis[trioxalatocobaltate(II)] chloride dodecahydrate","","- C12 H78 Cl Co5 N18 O36 -","- C12 H78 Cl Co5 N18 O36 -","- C12 H78 Cl Co5 N18 O36 -","1","0.166667","YK2060","Tian, Ruijng; Yan, Yan; Zhang, Cailing; Wang, Liyan; Pan, Qinhe","Tris[hexaamminecobalt(III)] bis[trioxalatocobaltate(II)] chloride dodecahydrate","Acta Crystallographica Section E","2012","68","7","m914","m915","10.1107/S1600536812026414","","","0.71073","MoKα","","0.0491","0.0362","","","0.0993","0.1078","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235825","14.5775","0.0016","14.5775","0.0016","6.3506","0.0016","90","","90","","120","","1168.7","0.3","120","2","120","2","","","","","","","","5","P -3","-P 3","147","","Guanidinium hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate]","","- C43.3 H36 N9.9 O26.1 Zn2.35 -","- C43.3 H36 N9.9 O26.1 Zn2.35 -","- C43.3 H36 N9.9 O26.1 Zn2.35 -","1","0.166667","HB6768","Tabatabaee, Masoumeh; Derikvand, Zohreh; Attar Gharamaleki, Jafar","Guanidinium hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate]","Acta Crystallographica Section E","2012","68","8","m1035","","10.1107/S160053681202987X","","","0.71073","MoKα","","0.0649","0.0447","","","0.0997","0.1055","","","","","","1","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2238712","13.8594","0.0017","13.8594","0.0017","8.01","0.0014","90","","90","","120","","1332.5","0.3","153","2","153","2","","","","","","","","5","P -3","-P 3","147","","Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>')trizinc(II)]","","- C21 H27 N3 O15 Zn3 -","- C21 H27 N3 O15 Zn3 -","- C42 H54 N6 O30 Zn6 -","2","0.333333","CV5429","Sim, Jaeung; Kim, Taemin; Yang, Jin Kuk","Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>')trizinc(II)]","Acta Crystallographica Section E","2013","69","11","m619","","10.1107/S1600536813028687","","","0.71073","MoKα","","0.0543","0.0398","","","0.078","0.0893","","","0.809","","","0.809","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239992","11.9776","0.0008","11.9776","0.0008","7.3455","0.0007","90","","90","","120","","912.62","0.12","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","<i>catena</i>-Poly[[potassium-tri-μ-dimethylacetamide-κ^6^<i>O</i>:<i>O</i>] iodide]","","- C12 H27 I K N3 O3 -","- C12 H27 I K N3 O3 -","- C24 H54 I2 K2 N6 O6 -","2","0.333333","ZL2601","Comanescu, Cezar-Catalin; Oliver, Allen G.","Crystal structure of <i>catena</i>-poly[[potassium-tri-μ-dimethylacetamide-κ^6^<i>O</i>:<i>O</i>] iodide]","Acta Crystallographica Section E","2014","70","10","196","198","10.1107/S1600536814020005","","","0.71073","MoKα","","0.0252","0.024","","","0.0586","0.0594","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240231","10.253","0.0014","10.253","0.0014","8.425","0.0017","90","","90","","120","","767","0.2","123","1","123","1","","","","","","","","5","P -3","-P 3","147","","Iodidotris(tetrahydrofuran-κ<i>O</i>)lithium","","- C12 H24 I Li O3 -","- C12 H24 I Li O3 -","- C24 H48 I2 Li2 O6 -","2","0.333333","WM5091","Gärtner, Stefanie; Gärtner, Tobias; Gschwind, Ruth-Maria; Korber, Nikolaus","About the polymorphism of [Li(C~4~H~8~O)~3~]I: crystal structures of trigonal and tetragonal polymorphs","Acta Crystallographica Section E","2014","70","12","555","558","10.1107/S160053681402529X","","","0.71073","MoKα","","0.0399","0.0287","","","0.0651","0.0672","","","","","","1.01","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2241548","19.0095","0.0005","19.0095","0.0005","31.9862","0.001","90","","90","","120","","10010","0.5","110","","110","","","","","","","","","6","P -3","-P 3","147","","Bis[tetrakis(triphenylphosphane-κ<i>P</i>)silver(I)] (nitrilotriacetato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')(triphenylphosphane-κ<i>P</i>)argentate(I) methanol monosolvate","","- C168 H141 Ag3 N O6 P9 -","- C168 H141 Ag3 N O6 P9 -","- C336 H282 Ag6 N2 O12 P18 -","2","0.333333","PK2571","Noll, Julian; Korb, Marcus; Lang, Heinrich","Crystal structure of bis[tetrakis(triphenylphosphane-κ<i>P</i>)silver(I)] (nitrilotriacetato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')(triphenylphosphane-κ<i>P</i>)argentate(I) with an unknown amount of methanol as solvate","Acta Crystallographica Section E","2016","72","3","318","321","10.1107/S2056989016001262","","","0.71073","MoKα","","0.0969","0.0664","","","0.1849","0.1972","","","","","","1.048","","","","has coordinates,has Fobs","176362","2020-10-21","18:00:00",""
"2310068","7.636","","7.636","","2.8197","","90","","90","","120","","142.385","","","","","","","","","","","","","2","P -3","-P 3","147","","","","- Ag1.5 Zn1.5 -","- Ag1.5 Zn1.5 -","- Ag4.5 Zn4.5 -","3","0.5","","Qurashi, M.M.; Edmunds, I.G.","The structure of the zeta phase in the silver-zinc system","Acta Crystallographica (1,1948-23,1967)","1951","4","","417","427","10.1107/S0365110X51001379","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310811","6.815","","6.815","","4.136","","90","","90","","120","","166.358","","","","","","","","","","","","","2","P -3","-P 3","147","","U3 O8","","- O8 U3 -","- O8 U3 -","- O8 U3 -","1","0.166667","","Siegel, S.","The crystal structure of trigonal U3 O8","Acta Crystallographica (1,1948-23,1967)","1955","8","","617","619","","","","","","","","","","","","","","","","","","","","","","has coordinates","161931","2020-10-21","18:00:00",""
"2311717","56.98","0.0003","56.98","0.0003","44.055","0.002","90","","90","","120","","123871","6","393","","393","","","","","","","","","2","P -3","-P 3","147","","","","- Cu3.311 Si -","- Cu3.31123 Si -","- Cu7788 Si2352 -","2352","392","BP5097","Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš","Crystal structures of η''-Cu<sub>3+x</sub>Si and η'''-Cu<sub>3+x</sub>Si.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 4","767","774","10.1107/S2052520617006163","","","0.71073","MoKα","","0.2613","0.1192","","","0.1308","0.1366","","","","","","2.93","","","","has coordinates","246093","2020-10-21","18:00:00",""
"3000325","24.3521","","24.3521","","9.4964","","90","","90","","120","","4877.11","","100","","100","","","","","","","","","5","P -3","-P 3","","","","","- C29 H28 Fe0.667 O8 P4 -","","","","","","Matous Kloda; Jan Hynek; Petr Brazda; Tomas Plechacek; Petr Chalupsky; Jan Rohlicek; Jan Demel","Phosphinate MOF formed from tetratopic ligands as high proton conductivity materials","To be published in Journal of Materials Chemistry A","","","","","","","","electron","0.0335","electron","","0.2692","0.1234","","","0.1171","0.1261","","","","3.36","3.36","2.12","","","","","271328","2021-12-10","14:44:10","2022-05-10"
"3000326","27.8429","","27.8429","","9.047","","90","","90","","120","","6073.85","","100","","100","","","","","","","","","5","P -3","-P 3","","","","","- C38 H40 Fe0.667 O8 P4 -","","","","","","Matous Kloda; Jan Hynek; Petr Brazda; Tomas Plechacek; Petr Chalupsky; Jan Rohlicek; Jan Demel","Phosphinate MOF formed from tetratopic ligands as high proton conductivity materials","To be published in Journal of Materials Chemistry A","","","","","","","","electron","0.0251","electron","","0.4303","0.1488","","","0.1578","0.1883","","","","0","0","2.03","","","","","271329","2021-12-10","14:47:32","2022-05-10"
"4002544","17.227","","17.227","","10.5","","90","","90","","120","","2698.6","","","","","","","","","","","","","4","P -3","-P 3","147","","(N H3)5.72 Na2 C60","","- C60 H17.16 N5.72 Na2 -","- C60 N5.718 Na2 -","- C180 N17.154 Na6 -","3","0.5","","Claridge, J.B.; Fowkes, A.J.; Rosseinsky, M.J.; Watts, I.D.","Cation-site and anion charge ordering in body-centered cubic-packedfullerides with complex counterions","Chemistry of Materials (1,1989-)","2003","15","","1497","1504","","","","","","","","","","","","","","","","","","","","","","has coordinates","158561","2020-10-21","18:00:00",""
"4002748","16.657","0.002","16.657","0.002","13.173","0.003","90","","90","","120","","3165.3","0.9","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C19 H12 N4 Ni O6 -","- C19 H11 N4 Ni O6 -","- C114 H66 N24 Ni6 O36 -","6","1","","Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo","Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks","Chemistry of Materials","2017","29","9","3899","","10.1021/acs.chemmater.6b05277","","","0.67","synchrotron","","0.1898","0.1364","","","0.3774","0.4123","","","","","","1.422","","","","has coordinates,has disorder","197392","2020-10-21","18:00:00",""
"4002869","18.9153","0.0018","18.9153","0.0018","4.3783","0.0004","90","","90","","120","","1356.6","0.2","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- Ag11.86 Se7 Tl2 -","- Ag11.864 Se7 Tl2 -","- Ag35.592 Se21 Tl6 -","3","0.5","","Shi, Yixuan; Assoud, Abdeljalil; Sankar, Cheriyedath Raj; Kleinke, Holger","Tl2Ag12Se7: A New pnp Conduction Switching Material with Extraordinarily Low Thermal Conductivity","Chemistry of Materials","2017","29","21","9565","","10.1021/acs.chemmater.7b04015","","","0.71073","MoKα","","0.0859","0.0492","","","0.0938","0.1078","","","","","","1.163","","","","has coordinates","203983","2020-10-21","18:00:00",""
"4023257","13.6249","0.0007","13.6249","0.0007","11.3765","0.0014","90","","90","","120","","1829","0.3","150","2","150","2","","","","","","","synthesis as described","4","P -3","-P 3","147","","","","- C24 H48 N12 O6 -","- C24 H48 N12 O6 -","- C48 H96 N24 O12 -","2","0.333333","","Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel","Postsynthetic Modification of C~3~-Symmetric Aza-β^3^-Cyclohexapeptides","Journal of Organic Chemistry","2008","73","","1306","1310","10.1021/jo7021394","","x-ray","0.71073","MoKα","","0.1417","0.0754","","","0.171","0.1977","","","","","","1.035","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4024182","29.938","0.003","29.938","0.003","17.0369","0.0016","90","","90","","120","","13224","2","113","2","113","2","","","","","","","","6","P -3","-P 3","147","","","","- C80 H100.17 F12 N2 O17.08 P2 -","- C80 H99 F12 N2 O17.0933 P2 -","- C480 H594 F72 N12 O102.56 P12 -","6","1","","Tao Han; Chuan-Feng Chen","Selective Templated Complexation of a Cylindrical Macrotricyclic Host with Neutral Guests: Three Cation-Controlled Switchable Processes","Journal of Organic Chemistry","2007","72","","7287","7293","10.1021/jo071195x","","","0.7107","MoKα","","0.0834","0.076","","","0.2017","0.2127","","","","","","1.062","","","","has coordinates,has disorder","178420","2020-10-21","18:00:00",""
"4026930","18.0254","0.0006","18.0254","0.0006","11.0413","0.0005","90","","90","","120","","3106.9","0.2","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C71 H57 Br3 N6 O6 -","- C71.01 H45 Br3 N6 O6 -","- C142.02 H90 Br6 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0508","0.0365","","","0.0912","0.0999","","","","","","1.026","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026932","17.9406","0.0006","17.9406","0.0006","10.8992","0.0005","90","","90","","120","","3038.1","0.2","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C71 H57 Cl3 N6 O6 -","- C71.01 H45 Cl3 N6 O6 -","- C142.02 H90 Cl6 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0659","0.0532","","","0.1456","0.1577","","","","","","0.969","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026933","17.9054","0.0008","17.9054","0.0008","11.0374","0.0007","90","","90","","120","","3064.5","0.3","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C74 H66 N6 O6 -","- C74.01 H54 N6 O6 -","- C148.02 H108 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0753","0.0557","","","0.1472","0.1611","","","","","","1.024","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026934","17.6734","0.0006","17.6734","0.0006","11.0022","0.0004","90","","90","","120","","2976.12","0.18","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C70.5 H57 Cl3 N6 O6 -","- C69.51 H54 Cl3.03 N6 O6 -","- C139.02 H108 Cl6.06 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0674","0.0424","","","0.0986","0.1125","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026981","15.4491","0.0018","15.4491","0.0018","11.464","0.003","90","","90","","120","","2369.6","0.7","200","2","200","2","","","","","","","","5","P -3","-P 3","147","","","","- C45 H39 I3 N5 O9 -","- C45 H39 I3 N5 O9 -","- C90 H78 I6 N10 O18 -","2","0.333333","","Ashutosh S. Singh; Shih-Sheng Sun","Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality","Journal of Organic Chemistry","2012","77","","1880","1890","10.1021/jo202502f","","","0.71073","MoKα","","0.0813","0.0489","","","0.1308","0.1484","","","","","","0.839","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026982","15.421","0.0009","15.421","0.0009","11.4661","0.0016","90","","90","","120","","2361.4","0.4","200","2","200","2","","","","","","","","5","P -3","-P 3","147","","","","- C45 H39 Cl3 N5 O9 -","- C45 H39 Cl3 N5 O9 -","- C90 H78 Cl6 N10 O18 -","2","0.333333","","Ashutosh S. Singh; Shih-Sheng Sun","Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality","Journal of Organic Chemistry","2012","77","","1880","1890","10.1021/jo202502f","","","0.71073","MoKα","","0.1173","0.0561","","","0.1375","0.1571","","","","","","0.989","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026983","15.3378","0.0005","15.3378","0.0005","11.3656","0.0003","90","","90","","120","","2315.52","0.12","150","0.1","150","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C92 H78 Br6 Cl1.98 N10 O18 -","- C92 H78 Br6 Cl1.98 N10 O18 -","- C92 H78 Br6 Cl1.98 N10 O18 -","1","0.166667","","Ashutosh S. Singh; Shih-Sheng Sun","Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality","Journal of Organic Chemistry","2012","77","","1880","1890","10.1021/jo202502f","","","0.71073","MoKα","","0.0511","0.0389","","","0.1008","0.1061","","","","","","1.069","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4027732","12.885","0.01","12.885","0.01","7.477","0.006","90","","90","","120","","1075","1.5","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C22 H24 Cl N3 O4 -","- C22 H24 Cl N3 O4 -","- C44 H48 Cl2 N6 O8 -","2","0.333333","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.1021","0.0677","","","0.1785","0.2064","","","","","","1.022","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027916","11.9712","0.0012","11.9712","0.0012","9.9653","0.0013","90","","90","","120","","1236.8","0.2","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- C30 H30 O4.5 -","- C30 H29.97 O4.5 -","- C60 H59.94 O9 -","2","0.333333","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.0867","0.0619","","","0.1715","0.196","","","","","","1.013","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027917","12.0399","0.0007","12.0399","0.0007","9.8716","0.0007","90","","90","","120","","1239.26","0.13","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- C H O -","- C1.61111 H1.665 O0.166667 -","- C58 H59.94 O6 -","36","6","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.1068","0.0798","","","0.2343","0.2696","","","","","","1.023","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027918","11.9","0.0009","11.9","0.0009","9.9832","0.0007","90","","90","","120","","1224.32","0.16","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- C20 H20 O2.67 -","- C19.9933 H19.98 O2.66667 -","- C59.98 H59.94 O8 -","3","0.5","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.0715","0.0592","","","0.1851","0.197","","","","","","1.076","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4030181","4.8246","0.0008","4.8246","0.0008","9.226","0.002","90","","90","","120","","185.98","0.06","","","293","","","","","","","","","4","P -3","-P 3","147","","","","- Cs O8 P2 Sb -","- Cs O8 P2 Sb -","- Cs O8 P2 Sb -","1","0.166667","","Oyetola, S.; Verbaere, A.; Piffard, Y.; Tournoux, M.","The layered compounds AM(V)(PO4)2 (A = K, Rb, Cs and M = Sb, Nb, Ta)","European Journal of Solid State and Inorganic Chemistry","1988","25","","259","278","","","x-ray","0.71069","MoKα","","","0.028","","","0.032","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030842","3.862","0.001","3.862","0.001","6.822","0.001","90","","90","","120","","88.12","0.03","","","298","","","","","","","","","4","P -3","-P 3","147","","","","- Cu1.5 Na S2 V0.5 -","- Cu1.542 Na S2 V0.456 -","- Cu1.542 Na S2 V0.456 -","1","0.166667","","Mujica, C.; Llanos, J.; Carvajal, G.; Wittke, O.","Synthesis and crystal structure of Na2Cu3VS4","European Journal of Solid State and Inorganic Chemistry","1996","33","","987","992","","","x-ray","0.71073","MoKα","","","0.054","","","0.088","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030912","13.495","0.002","13.495","0.002","9.396","0.002","90","","90","","120","","1481.9","0.4","","","293","","","","","","","","","6","P -3","-P 3","147","","","","- C12 H66 Fe8 N6 O62 P14 -","- C12 Fe8 N6 O62 P14 -","- C12 Fe8 N6 O62 P14 -","1","0.166667","","Korzenski, M. B.; Schimek, G. L.; Kolis, J. W.","Hydrothermal synthesis and structural determination of a three-dimensional microporous iron(III)phosphate [H~3~N(CH~2~)~4~NH~3~]~3~[Fe~8~(HPO~4~)~12~(PO~4~)~2~(H~2~O)~6~]","European Journal of Solid State and Inorganic Chemistry","1998","35","2","143","160","10.1016/S0992-4361(98)80193-8","","x-ray","0.71073","MoKα","","","0.044","","","0.048","","","","","","","1.08","","","","has coordinates","182188","2020-10-21","18:00:00",""
"4031160","4.01395","","4.01395","","9.5423","","90","","90","","120","","133.146","","","","","","","","","","","","","4","P -3","-P 3","147","","Bi2.34 U0.33 La0.33 O5","","- Bi2.34 La0.33 O5 U0.33 -","- Bi2.333 La0.334 O5.04 U0.333 -","- Bi2.333 La0.334 O5.04 U0.333 -","1","0.166667","","Amarilla, J.M.; Alonso, J.A.; Rojas, R.M.","Structural study of the trigonal Bi2.34 U0.33 La0.33 O5 oxide ion conductor: Rietveld refinement of X-ray and neutron powder diffraction data","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1999","1999","","1137","1141","","","","","","","","","","","","","","","","","","","","","","has coordinates","140321","2020-10-21","18:00:00",""
"4031231","10.59","","10.59","","6.56","","90","","90","","120","","637.128","","","","","","","","","","","","","5","P -3","-P 3","147","","Fe (N C H)6 (Fe Br4)2","","- C6 H6 Br8 Fe3 N6 -","- C6 Br8 Fe3 N6 -","- C6 Br8 Fe3 N6 -","1","0.166667","","Constant, G.; Daran, J.C.; Jeannin, Y.P.","Etude structurale du tetrabromoferrate(III) d'hexaformonitrilefer(II)","Journal of Inorganic and Nuclear Chemistry","1973","35","","4093","4102","","","","","","","","","","","","","","","","","","","","","","has coordinates","148715","2020-10-21","18:00:00",""
"4031319","15.8651","0.0005","15.8651","0.0005","15.0224","0.0005","90","","90","","120","","3274.58","0.18","296","2","296","2","","","","","","","","4","P -3","-P 3","147","ye218","","","- C22 H24 N2 O4.4 -","- C22 H24 N2 O4.5 -","- C132 H144 N12 O27 -","6","1","","Xuan, Zi; Kim, Ju Hyun; Lee, Sang-Gi","Tandem Blaise/Palladium-Catalyzed Ullmann Coupling for the One-Pot Synthesis of Enamino Ester-Functionalized Biaryls from Nitriles.","The Journal of organic chemistry","2015","80","15","7824","7829","10.1021/acs.joc.5b01375","","","0.71073","","","0.1913","0.072","","","0.1744","0.2404","","","","","","0.95","","","","has coordinates","154690","2020-10-21","18:00:00",""
"4031634","14.604","","14.604","","13.667","","90","","90","","120","","2524.34","","","","","","","","","","","","","4","P -3","-P 3","147","","Cs3 (Cr (N O3)6)","","- Cr Cs3 N6 O18 -","- Cr Cs3 N6 O18 -","- Cr6 Cs18 N36 O108 -","6","1","","Fedorova, A.A.; Chizhov, P.S.; Morozov, I.V.; Troyanov, S.I.","Synthesis and Crystal Structures of New Iron(III) and Chromium(III) Nitrate Complexes Cs[Fe(NO3)4], Cs2[Cr(NO3)5], and Cs3[Cr(NO3)6]","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","2002","47","","1845","1852","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4033232","22.1776","0.0007","22.1776","0.0007","7.4995","0.0003","90","","90","","120","","3194.42","0.19","110","2","110","2","","","","","","","","4","P -3","-P 3","147","","","","- C27 H21 B S2 -","- C27 H21 B S2 -","- C162 H126 B6 S12 -","6","1","","Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik; Tovar, John D.","Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds.","The Journal of organic chemistry","2017","82","24","13440","13448","10.1021/acs.joc.7b02512","","","0.71073","MoKα","","0.0559","0.0436","","","0.1085","0.1169","","","","","","1.045","","","","has coordinates","204802","2020-10-21","18:00:00",""
"4033655","19.8149","0.0006","19.8149","0.0006","13.6041","0.0006","90","","90","","120","","4625.8","0.3","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C77 H41 Cl15 F12 -","- C77 H41 Cl15 F12 -","- C154 H82 Cl30 F24 -","2","0.333333","","Van Raden, Jeff M.; Leonhardt, Erik J.; Zakharov, Lev N.; Pérez-Guardiola, A; Pérez-Jiménez, A J; Marshall, Checkers R.; Brozek, Carl K.; Sancho-García, J C; Jasti, Ramesh","Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02340","","","1.54178","CuKα","","0.1466","0.0829","","","0.2261","0.2475","","","","","","1.033","","","","has coordinates","220512","2020-10-21","18:00:00",""
"4034235","14.3935","0.0008","14.3935","0.0008","17.2887","0.001","90","","90","","120","","3101.9","0.3","90","2","90","2","","","","","","","","5","P -3","-P 3","147","","","","- C57 H57 F18 N8 P3 -","- C57 H57 F18 N8 P3 -","- C114 H114 F36 N16 P6 -","2","0.333333","","Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria","Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.","The Journal of organic chemistry","2019","84","7","4221","4228","10.1021/acs.joc.9b00219","","","0.71073","MoKα","","0.3218","0.2754","","","0.7053","0.7483","","","","","","1.218","","","","has coordinates","222778","2020-10-21","18:00:00",""
"4034236","14.654","0.0013","14.654","0.0013","17.5993","0.0016","90","","90","","120","","3272.9","0.5","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C57 H57 F18 N8 P3 -","- C57 H57 F18 N8 P3 -","- C114 H114 F36 N16 P6 -","2","0.333333","","Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria","Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.","The Journal of organic chemistry","2019","84","7","4221","4228","10.1021/acs.joc.9b00219","","","0.71073","MoKα","","0.3357","0.2496","","","0.6483","0.7363","","","","","","1.134","","","","has coordinates","222779","2020-10-21","18:00:00",""
"4036590","17.377","0.0006","17.377","0.0006","17.411","0.0006","90","","90","","120","","4553.1","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C174 H252 B18 N18 O3 -","- C174 H252 B18 N18 O3 -","- C174 H252 B18 N18 O3 -","1","0.166667","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.0636","0.0567","","","0.1772","0.1848","","","","","","1.069","","","","has coordinates","234918","2020-10-21","18:00:00",""
"4060681","26.2521","0.0006","26.2521","0.0006","33.2008","0.0008","90","","90","","120","","19815.6","0.7","473.2","","473.2","","","","","","","","synthesized by authors","5","P -3","-P 3","147","","","","- C114 H102 Ir6 Mo6 O24 -","- C36 Ir2 Mo2 O8 -","- C216 Ir12 Mo12 O48 -","6","1","","Nigel T. Lucas; Eleni G. A. Notaras; Marie P. Cifuentes; Mark G. Humphrey","Mixed-Metal Cluster Chemistry. 21. Synthesis and Crystallographic and Electrochemical Studies of Alkyne-Coordinated Group 6-Iridium Clusters Linked by Phenylenevinylene Groups","Organometallics","2003","22","","284","301","10.1021/om020203r","","","0.7107","MoKα","","0.1039","0.1039","","0.1548","","0.1548","","","3.609","","","3.609","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061625","14.7149","0.0003","14.7149","0.0003","10.1605","0.0004","90","","90","","120","","1905.29","0.09","298","2","298","2","","","","","","","","7","P -3","-P 3","147","","","","- C22 H32 B N6 O0.5 Ru S3 -","- C21.9 H31.81 B N6 O0.51 Ru S3 -","- C43.8 H63.62 B2 N12 O1.02 Ru2 S6 -","2","0.333333","","Seah Ling Kuan, Weng Kee Leong; Lai Yoong Goh, Richard D. Webster","Redox Dependent Isomerization of Organometallic RuII/RuIII Compounds Containing the Hydrotris(Methimazolyl)Borate Ligand. An Electrochemical Square Scheme Mechanism.","Organometallics","2005","","","","","10.1021/om050432o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063825","20.603","0.003","20.603","","11.6729","0.0019","90","","90","","120","","4291.1","0.9","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C29 H36 Cl Cr N2 O -","- C29 H36 Cl Cr N2 O -","- C174 H216 Cl6 Cr6 N12 O6 -","6","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0474","0.0328","","","0.086","0.0909","","","","","","1.066","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4064533","11.3823","0.0007","11.3823","0.0007","7.8487","0.001","90","","90","","120","","880.62","0.14","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C12 H10 B Mn N6 O3 -","- C12 H9 B Mn N6 O3 -","- C24 H18 B2 Mn2 N12 O6 -","2","0.333333","","Swennenhuis, Bert H. G.; Poland, Ross; DeYonker, Nathan J.; Webster, Charles Edwin; Darensbourg, Donald J.; Bengali, Ashfaq A.","Ligand Displacement from TpMn(CO)2L Complexes: A Large Rate Enhancement in Comparison to the CpMn(CO)2L Analogues","Organometallics","2011","30","11","3054","","10.1021/om200161g","","","0.71073","MoKα","","0.0308","0.0286","","","0.0835","0.0843","","","","","","1.09","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4065764","23.367","0.002","23.367","0.002","9.183","0.002","90","","90","","120","","4342.3","1.1","100","0.1","100","0.1","","","","","","","synthesis as described","6","P -3","-P 3","147","","","","- C25 H35 Mo2 O2 P Se3 -","- C25 H35 Mo2 O2 P Se3 -","- C150 H210 Mo12 O12 P6 Se18 -","6","1","","Esther García, M.; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 6. C−E Bond Formation and C−O Bond Cleavage Processes in the Reactions of [Mo2(η5-C5H5)2(μ-COMe)(μ-PCy2)(μ-CO)] with Severalp-Block Elements (E) and Their Hydride Derivatives","Organometallics","2010","29","9","2157","","10.1021/om100117a","","x-ray","0.71073","MoKα","","0.0593","0.0384","","","0.0888","0.0956","","","","","","1.002","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4069777","28.299","0.007","28.299","0.007","13.302","0.003","90","","90","","120","","9225","4","293","2","293","2","","","","","","","","4","P -3","-P 3","147","","","","- C56 H80 N4 Zn2 -","- C56 H80 N4 Zn2 -","- C336 H480 N24 Zn12 -","6","1","","Liu, Yanyan; Li, Shaoguang; Yang, Xiao-Juan; Yang, Peiju; Gao, Jing; Xia, Yana; Wu, Biao","Synthesis and Structure of a Zinc−Zinc-Bonded Compound with a Monoanionic α-Diimine Ligand, [LZn−ZnL] (L = [(2,6-iPr2C6H3)NC(Me)]2−)","Organometallics","2009","28","17","5270","","10.1021/om900408a","","","0.71073","MoKα","","0.2533","0.0964","","","0.2604","0.3584","","","","","","0.951","","","","has coordinates","178586","2020-10-21","18:00:00",""
"4069809","25.8527","0.0014","25.8527","0.0014","9.6397","0.0013","90","","90","","120","","5579.6","0.9","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C58.67 H68 Cl9.33 O3 P2 Pd2 -","- C56.6667 H64 Cl5.32667 O3 P2 Pd2 -","- C170 H192 Cl15.98 O9 P6 Pd6 -","3","0.5","","Ding, Yi; Chiang, Minyi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Synthesis, Coordination Characteristics, Conformational Behavior, and Bond Reactivity Studies of a Novel Chiral Phosphapalladacycle Complex","Organometallics","2009","28","15","4358","","10.1021/om900423f","","","0.71073","MoKα","","0.1156","0.0807","","","0.2404","0.2754","","","","","","1.061","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4071007","23.367","0.002","23.367","0.002","9.183","0.002","90","","90","","120","","4342.3","1.1","100","0.1","100","0.1","","","","","","","synthesis as described","6","P -3","-P 3","147","","","","- C25 H35 Mo2 O2 P Se3 -","- C25 H35 Mo2 O2 P Se3 -","- C150 H210 Mo12 O12 P6 Se18 -","6","1","","García-Vivó, Daniel; García, M. Esther; Ruiz, Miguel A.","Multisite Reactivity of the Unsaturated Methoxycarbyne Complex [Mo2(η5-C5H5)2(µ-COMe)(µ-PCy2)(µ-CO)]","Organometallics","2008","27","2","169","","10.1021/om701200q","","x-ray","0.71073","MoKα","","0.0593","0.0384","","","0.0888","0.0956","","","","","","1.002","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4074130","18.133","0.001","18.133","0.001","15.654","0.001","90","","90","","120","","4457.5","0.4","198","2","198","2","","","","","","","","5","P -3","-P 3","147","","","","- C38.33 H35.33 N0.22 O Zr -","- C38.34 H35.35 N0.223333 O Zr -","- C230.04 H212.1 N1.34 O6 Zr6 -","6","1","","Chen, Liyi; Nie, Wan-Li; Paradies, Jan; Kehr, Gerald; Fröhlich, Roland; Wedeking, Katrin; Erker, Gerhard","Insertion Reactions at Cyclobutylene-Bridgedansa-Metallocene Complexes: A Quest for the Influence of Covering Phenylene Units","Organometallics","2006","25","22","5333","","10.1021/om0604268","","","0.71073","MoKα","","0.0611","0.0403","","","0.0922","0.1002","","","","","","1.043","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074191","25.041","0.004","25.041","0.004","13.099","0.003","90","","90","","120","","7113","2","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","","","- C45.08 H27.08 Ag Cl11.75 N P Pt -","- C45.0833 H27.0833 Ag Cl11.75 N P Pt -","- C270.5 H162.5 Ag6 Cl70.5 N6 P6 Pt6 -","6","1","","Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier","Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes","Organometallics","2006","25","18","4331","","10.1021/om0604526","","","0.71073","MoKα","","0.0363","0.0338","","","0.0863","0.0877","","","","","","1.051","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4077281","29.95","0.004","29.95","0.004","12.983","0.001","90","","90","","120","","10086","2","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C26 H42 Cl2 Li O2 Yb -","- C26 H42 Cl2 Li O2 Yb -","- C312 H504 Cl24 Li12 O24 Yb12 -","12","2","","Zi, Guofu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Tetramethylcyclopentadienyl vs Cyclopentadienyl Substituents. Synthesis and Structural Characterization of Organolanthanide Compounds Derived from the Versatile Ligand Me2Si(C5Me4H)(C2B10H11)","Organometallics","2001","20","11","2359","","10.1021/om010031i","","","0.71073","MoKα","","0.1241","0.0846","","","0.2043","0.2309","","","","","","1.192","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00",""
"4078499","28.966","0.006","28.966","0.006","9.561","0.002","90","","90","","120","","6947","3","153","2","153","2","","","","","","","","6","P -3","-P 3","147","","","","- C43 H40 Cl3 O2 P4 Rh3 -","- C43 H40 Cl3 O2 P4 Rh3 -","- C258 H240 Cl18 O12 P24 Rh18 -","6","1","","Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki","Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane","Organometallics","2012","31","11","4283","","10.1021/om300278k","","","0.7107","MoKα","","","0.0677","","","","0.2075","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080971","24.751","0.004","24.751","0.004","8.7198","0.0017","90","","90","","120","","4626.2","1.4","113","2","113","2","","","","","","","","6","P -3","-P 3","147","","","","- C28 H28 Fe2 N2 O6 Se2 -","- C28 H28 Fe2 N2 O6 Se2 -","- C168 H168 Fe12 N12 O36 Se12 -","6","1","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71073","MoKα","","0.0857","0.0723","","","0.1859","0.196","","","","","","1.034","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4081508","16.066","0.0016","16.066","0.0016","5.9225","0.0006","90","","90","","120","","1323.9","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","","","","- C30 H28 Fe3 Si -","- C30 H28 Fe3 Si -","- C60 H56 Fe6 Si2 -","2","0.333333","","Herrero, Marta; Sevilla, Raquel; Casado, Carmen M.; Losada, José; Garc\?ía-Armada, Pilar; Rodr\?íguez-Diéguez, Antonio; Briones, David; Alonso, Beatriz","Synthesis and Electrochemistry of ((Diferrocenylsilyl)propyl)- and ((Triferrocenylsilyl)propyl)triethoxysilanes","Organometallics","2013","32","20","5826","","10.1021/om400387c","","","0.71069","MoKα","","0.0615","0.0572","","","0.1537","0.1576","","","","","","1.02","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081569","20.6355","0.0003","20.6355","0.0003","13.6658","0.0002","90","","90","","120","","5039.6","0.13","123","1","123","1","","","","","","","","7","P -3","-P 3","147","","","","- C56 H57 B6 F27 Mo6 N16 O12 -","- C56 H56.997 B6.001 F27.006 Mo6 N16 O12 -","- C112 H113.994 B12.002 F54.012 Mo12 N32 O24 -","2","0.333333","","Cai, Xu-Min; Höhne, Dominik; Köberl, Mathias; Cokoja, Mirza; Pöthig, Alexander; Herdtweck, Eberhardt; Haslinger, Stefan; Herrmann, Wolfgang A.; Kühn, Fritz E.","Synthesis and Characterization of Dimolybdenum(II) Complexes Connected by Carboxylate Linkers","Organometallics","2013","32","20","6004","","10.1021/om400518f","","","0.71073","MoKα","","0.045","0.0437","","","0.1199","0.1207","","","","","","1.063","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081942","16.5688","0.0015","16.5688","0.0015","8.23","0.0015","90","","90","","120","","1956.6","0.4","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C39.25 H21.25 Cl0.75 F15 Ge2 -","- C39.25 H21.25 Cl0.75 F15 Ge2 -","- C78.5 H42.5 Cl1.5 F30 Ge4 -","2","0.333333","","Zaitsev, Kirill V.; Kapranov, Andrey A.; Churakov, Andrei V.; Poleshchuk, Oleg Kh.; Oprunenko, Yuri F.; Tarasevich, Boris N.; Zaitseva, Galina S.; Karlov, Sergey S.","“Donor‒Acceptor” Oligogermanes: Synthesis, Structure, and Electronic Properties","Organometallics","2013","32","21","6500","","10.1021/om4008218","","","0.71073","MoKα","","0.0638","0.0484","","","0.1556","0.1635","","","","","","1.185","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081969","24.4","0.006","24.4","0.006","8.7778","0.0018","90","","90","","120","","4525.8","1.8","113","2","113","2","","","","","","","","5","P -3","-P 3","147","","","","- C28 H37 B N2 O2 -","- C28 H37 B N2 O2 -","- C168 H222 B6 N12 O12 -","6","1","","Xie, Liang; Zhang, Jianying; Hu, Hongfan; Cui, Chunming","Synthesis and Reactions of π-Conjugated Iminoboranes Stabilized by Intramolecular Imine Groups","Organometallics","2013","32","23","6875","","10.1021/om4008407","","","0.71073","MoKα","","0.0692","0.0553","","","0.1558","0.1641","","","","","","1.116","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4084576","13.0779","0.0003","13.0779","0.0003","16.1921","0.0005","90","","90","","120","","2398.33","0.11","200","2","200","2","","","","","","","","6","P -3","-P 3","147","","","","- C54.5 H43 Cl F P3 Sn -","- C54 H42 F P3 Sn -","- C108 H84 F2 P6 Sn2 -","2","0.333333","","Kameo, Hajime; Kawamoto, Tatsuya; Sakaki, Shigeyoshi; Nakazawa, Hiroshi","Can One σ*-Antibonding Orbital Interact with Six Electrons of Lewis Bases? Analysis of a Multiply Interacting σ* Orbital","Organometallics","2014","33","21","5960","","10.1021/om500951e","","","0.7107","MoKα","","0.0644","0.0506","","","0.1193","0.128","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084869","19.028","0.003","19.028","0.003","26.297","0.004","90","","90","","120","","8246","2","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C72 H62 P4 Ru -","- C72 H62.0001 P4 Ru -","- C432 H372.001 P24 Ru6 -","6","1","","Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.","Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation","Organometallics","2014","33","24","7279","","10.1021/om5010572","","","0.71073","MoKα","","0.2414","0.0908","","","0.2071","0.2932","","","","","","1.015","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4085025","23.4826","0.0006","23.4826","0.0006","13.0911","0.0004","90","","90","","120","","6251.7","0.3","180","2","180","2","","","","","","","synthesis as described","3","P -3","-P 3","147","","","","- C16 H20 Zr -","- C16 H20 Zr -","- C288 H360 Zr18 -","18","3","","Hu, Yimu; Romero, Nuria; Dinoi, Chiara; Vendier, Laure; Mallet-Ladeira, Sonia; McGrady, John E.; Locati, Abel; Maseras, Feliu; Etienne, Michel","β-H Abstraction/1,3-CH Bond Addition as a Mechanism for the Activation of CH Bonds at Early Transition Metal Centers","Organometallics","2014","33","24","7270","","10.1021/om501056b","","x-ray","0.71073","MoKα","","0.0283","0.0254","","","0.065","0.0678","","","","","","1.066","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085747","22.537","0.003","22.537","0.003","8.829","0.002","90","","90","","120","","3883.6","1.1","273","2","273","2","","","","","","","","6","P -3","-P 3","147","","","","- C23 H29 Co I N P2 -","- C23 H29 Co I N P2 -","- C138 H174 Co6 I6 N6 P12 -","6","1","","Zhou, Hongwei; Sun, Hongjian; Zhang, Shumiao; Li, Xiaoyan","Synthesis and Reactivity of a Hydrido CNC Pincer Cobalt(III) Complex and Its Application in Hydrosilylation of Aldehydes and Ketones","Organometallics","2015","34","8","1479","","10.1021/om5011929","","","0.71073","MoKα","","0.1114","0.0439","","","0.0991","0.1147","","","","","","0.861","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085929","12.2741","0.0019","12.2741","0.0019","14.995","0.003","90","","90","","120","","1956.4","0.6","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C15 H23 Fe0.33 O -","- C15 H23 Fe0.333333 O -","- C90 H138 Fe2 O6 -","6","1","","Bellow, James A.; Yousif, Maryam; Cabelof, Alyssa C.; Lord, Richard L.; Groysman, Stanislav","Reactivity Modes of an Iron Bis(alkoxide) Complex with Aryl Azides: Catalytic Nitrene Coupling vs Formation of Iron(III) Imido Dimers","Organometallics","2015","34","12","2917","","10.1021/acs.organomet.5b00231","","","0.71073","MoKα","","0.0788","0.0457","","","0.1011","0.1096","","","","","","0.961","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086584","18.6016","0.0007","18.6016","0.0007","14.2012","0.0006","90","","90","","120","","4255.6","0.3","100","","100","","","","","","","","","5","P -3","-P 3","147","","","","- C76 H100 Cl4 Ir P4 -","- C76 H100 Cl4 Ir P4 -","- C152 H200 Cl8 Ir2 P8 -","2","0.333333","","Miura-Akagi, Preston M.; Nakashige, Mika L.; Maile, Caitlin K.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Royappa, A. Timothy; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","Synthesis of a Tris(phosphaalkene)phosphine Ligand and Fundamental Organometallic Reactions on Its Sterically Shielded Metal Complexes","Organometallics","2016","35","13","2224","","10.1021/acs.organomet.6b00250","","","0.71073","MoKα","","0.0437","0.0327","","","0.0799","0.0847","","","","","","1.028","","","","has coordinates,has disorder","184361","2020-10-21","18:00:00",""
"4086987","18.4199","0.001","18.4199","0.001","21.9233","0.0011","90","","90","","120","","6441.9","0.6","120","2","120","2","","","","","","","","7","P -3","-P 3","147","","","","- C104 H74 Ag6 F18 O9 P6 S3 -","- C104 H74 Ag6 F18 O9 P6 S3 -","- C208 H148 Ag12 F36 O18 P12 S6 -","2","0.333333","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0536","0.0483","","","0.1113","0.1139","","","","","","1.068","","","","has coordinates,has disorder","191288","2020-10-21","18:00:00",""
"4100480","26.815","0.0015","26.815","0.0015","23.7356","0.0018","90","","90","","120","","14780.4","1.6","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C83 H128 Cl2 N4 O17.33 Zn -","- C83 H128 Cl1.96433 N4 O17.1907 Zn -","- C498 H768 Cl11.786 N24 O103.144 Zn6 -","6","1","","Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051299u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100893","16.8079","0.0012","16.8079","0.0012","11.5301","0.0017","90","","90","","120","","2820.9","0.5","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C24 H60 B12 O12 -","- C24 H60 B12 O12 -","- C72 H180 B36 O36 -","3","0.5","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101022","17.955","0.005","17.955","0.005","17.601","0.004","90","","90","","120","","4914","2","293","2","293","2","","","","","","","","9","P -3","-P 3","147","","","","- C90 H90 Ag2 B2 Cu3 F8 N9 P6 S6 -","- C90 H90 Ag2 B2 Cu3 F8 N9 P6 S6 -","- C180 H180 Ag4 B4 Cu6 F16 N18 P12 S12 -","2","0.333333","","Lorenzo Barbieri; Claudia Graiff; Lisa Elviri; Maurizio Lanfranchi; Roberto Pattacini; Alessandro Stercoli; Antonio Tiripicchio","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0554110","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101035","15.8927","0.0008","15.8927","0.0008","14.4775","0.0015","90","","90","","120","","3166.8","0.4","183","2","193","2","","","","","","","","6","P -3","-P 3","147","[Na(THF)3)][NNb(N[Np]Ar)3]","","","- C51 H84 N4 Na Nb O3 -","- C51 H84 N4 Na Nb O3 -","- C102 H168 N8 Na2 Nb2 O6 -","2","0.333333","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056408j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101302","13.041","0.006","13.041","0.006","11.672","0.011","90","","90","","120","","1719.1","1.9","173","2","173","2","","","","","","","","7","P -3","-P 3","147","","","","- C36 H72 K2 N4 O12 Pb12 Pt -","- C36 H72 K2 N4 O12 Pb12 Pt -","- C36 H72 K2 N4 O12 Pb12 Pt -","1","0.166667","","Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan","The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.","Journal of the American Chemical Society","2006","128","28","9178","9186","10.1021/ja061842m","","","0.71073","MoKα","","0.073","0.0352","","","0.0825","0.0959","","","","","","1.055","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101716","20.4393","0.001","20.4393","0.001","14.4731","0.0013","90","","90","","120","","5236.3","0.6","163","2","163","2","","","","","","","","5","P -3","-P 3","147","","","","- C81 H144 La3 N15 Si6 -","- C81 H144 La3 N15 Si6 -","- C162 H288 La6 N30 Si12 -","2","0.333333","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.","Journal of the American Chemical Society","2008","130","1","16","17","10.1021/ja077298e","","","0.71073","MoKα","","0.0291","0.0255","","","0.0742","0.0772","","","","","","1.143","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4102277","12.8528","0.0014","12.8528","0.0014","8.5383","0.0018","90","","90","","120","","1221.5","0.3","193","2","193","2","","","","","","","","6","P -3","-P 3","147","","","","- C21 H21 Br3 In O3 P -","- C21 H21 Br3 In O3 P -","- C42 H42 Br6 In2 O6 P2 -","2","0.333333","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0279","0.0238","","","0.0592","0.0613","","","","","","1.06","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4103945","17.7905","0.001","17.7905","0.001","15.6247","0.0017","90","","90","","120","","4282.7","0.6","155","2","155","2","","","","","","","","5","P -3","-P 3","147","","","","- C26 H48 La N Si2 -","- C26 H48 La N Si2 -","- C156 H288 La6 N6 Si12 -","6","1","","William J. Evans; Thomas J. Mueller; Joseph W. Ziller","Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2","Journal of the American Chemical Society","2009","131","","2678","2686","10.1021/ja808763y","","","0.71073","MoKα","","0.034","0.0289","","","0.0718","0.0763","","","","","","1.098","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4104839","14.707","0.0002","14.707","0.0002","10.8676","0.0003","90","","90","","120","","2035.69","0.07","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C36 H84 Cu8 F12 O12 P8 Se12 -","- C36 H84 Cu8 F12 O12 P8 Se12 -","- C36 H84 Cu8 F12 O12 P8 Se12 -","1","0.166667","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0723","0.041","","","0.1062","0.119","","","","","","1.017","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4106185","18.5892","0.0003","18.5892","0.0003","5.4184","0.0012","90","","90","","120","","1621.5","0.4","293","2","293","2","","","","","","","","3","P -3","-P 3","147","1,6-bis-(4-hydroxyphenyl)-3-hexen-1,5-diyne","","","- C24 H24 O2 -","- C24 H24 O2 -","- C72 H72 O6 -","3","0.5","","Ana Pérez; José Luis Serrano; Teresa Sierra; Alfredo Ballesteros; Diana de Saá; José Barluenga","Control of Self-Assembly of a 3-Hexen-1,5-diyne Derivative: Toward Soft Materials with an Aggregation-Induced Enhancement in Emission","Journal of the American Chemical Society","2011","133","","8110","8113","10.1021/ja2018898","","","1.54184","CuKα","","0.0984","0.07","","","0.2007","0.2357","","","","","","0.925","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4109998","13.862","0.005","13.862","0.005","13.784","0.005","90","","90","","120","","2293.8","1.4","173","2","173","2","","","","","","","","6","P -3","-P 3","147","[Ni(tame)2]1(PES)2","bis(1,1,1-tris(aminomethyl)ethane)nickel(II)di(2-phenylethynesulfonate)","","- C26 H39.94 N6 Ni O6 S2 -","- C26 H39.94 N6 Ni O6 S2 -","- C78 H119.82 N18 Ni3 O18 S6 -","3","0.5","","Sean A. Dalrymple; George K. H. Shimizu","Crystal Engineering of a Permanently Porous Network Sustained Exclusively by Charge-Assisted Hydrogen Bonds","Journal of the American Chemical Society","2007","129","","12114","12116","10.1021/ja076094v","","","0.71069","MoKα","","0.0689","0.0398","","","0.0989","0.1127","","","","","","1.045","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4112389","11.098","0.002","11.098","0.002","10.3496","0.0019","90","0.004","90","0.004","120","0.004","1103.9","0.3","298","2","298","2","","","","","","","","3","P -3","-P 3","147","","","","- Al56 Ge3 Mn14 -","- Al56 Ge3 Mn14 -","- Al56 Ge3 Mn14 -","1","0.166667","","Li-Ming Wu; Dong-Kyun Seo","Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented ""Half-Broken"" Mackay Icosahedra as Building Units","Journal of the American Chemical Society","2004","126","","4398","4403","10.1021/ja039154f","","","0.71073","MoKα","","0.0465","0.0431","","","0.0848","0.0865","","","","","","1.072","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112390","11.1018","0.0013","11.1018","0.0013","10.3501","0.0017","90","","90","","120","","1104.7","0.3","298","2","298","2","","","","","","","","3","P -3","-P 3","147","","","","- Al56.31 Ge2.69 Mn14 -","- Al56.33 Ge2.67 Mn14 -","- Al56.33 Ge2.67 Mn14 -","1","0.166667","","Li-Ming Wu; Dong-Kyun Seo","Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented ""Half-Broken"" Mackay Icosahedra as Building Units","Journal of the American Chemical Society","2004","126","","4398","4403","10.1021/ja039154f","","","0.71073","MoKα","","0.0255","0.0234","","","0.0505","0.0514","","","","","","1.036","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112391","11.103","0.002","11.103","0.002","10.3537","0.0019","90","0.004","90","0.004","120","0.004","1105.4","0.3","298","2","298","2","","","","","","","","3","P -3","-P 3","147","","","","- Al56.61 Ge2.39 Mn14 -","- Al56.612 Ge2.388 Mn14 -","- Al56.612 Ge2.388 Mn14 -","1","0.166667","","Li-Ming Wu; Dong-Kyun Seo","Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented ""Half-Broken"" Mackay Icosahedra as Building Units","Journal of the American Chemical Society","2004","126","","4398","4403","10.1021/ja039154f","","","0.71073","MoKα","","0.0454","0.0376","","","0.065","0.0679","","","","","","1.077","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112706","14.973","0.009","14.973","0.009","9.96","0.008","90","","90","","120","","1934","2","183","2","183","2","","","","","","","","6","P -3","-P 3","147","NW(N[i-Pr]Ar)3","","","- C36 H57 N4 O0.5 Si W -","- C36 H57 N4 O0.5 Si W -","- C72 H114 N8 O Si2 W2 -","2","0.333333","","Christopher R. Clough; Jane B. Greco; Joshua S. Figueroa; Paula L. Diaconescu; William M. Davis; Christopher C. Cummins","Organic Nitriles from Acid Chlorides: An Isovalent N for (O)Cl Exchange Reaction Mediated by a Tungsten Nitride Complex","Journal of the American Chemical Society","2004","126","","7742","7743","10.1021/ja0492438","","","0.71073","MoKα","","0.0264","0.025","","","0.0583","0.0587","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112968","19.439","0.003","19.439","0.003","6.5573","0.0019","90","","90","","120","","2145.9","0.8","233","2","476","2","","","","","","","","3","P -3","-P 3","147","","","","- C9 Mo3 S22 -","- C9 Mo3 S22 -","- C18 Mo6 S44 -","2","0.333333","","Rosa Llusar; Santiago Uriel; Cristian Vicent; Juan M. Clemente-Juan; Eugenio Coronado; Carlos J. Gómez-García; Benoit Braïda; Enric Canadell","Single-Component Magnetic Conductors Based on Mo3S7 Trinuclear Clusters with Outer Dithiolate Ligands","Journal of the American Chemical Society","2004","126","","12076","12083","10.1021/ja0474244","","","0.71073","MoKα","","0.1189","0.0824","","","0.2412","0.2688","","","","","","1.092","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4114012","12.469","0.002","12.469","0.002","12.778","0.002","90","","90","","120","","1720.5","0.5","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C55 H76 Cl2 N12 Ni6 O33 Sr -","- C55 H72 Cl2 N12 Ni6 O33.02 Sr -","- C55 H72 Cl2 N12 Ni6 O33.02 Sr -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0789","0.0397","","","0.0856","0.0952","","","","","","0.911","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114013","12.5041","0.0008","12.5041","0.0008","12.8523","0.0011","90","","90","","120","","1740.3","0.2","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C55 H76 Ba Cl2 N12 Ni6 O33 -","- C55 H72 Ba Cl2 N12 Ni6 O33.02 -","- C55 H72 Ba Cl2 N12 Ni6 O33.02 -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0501","0.0277","","","0.0605","0.0669","","","","","","0.961","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114014","12.4549","0.0011","12.4549","0.0011","12.736","0.002","90","","90","","120","","1711","0.3","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 Cl3 La N12 Ni6 O36 -","- C54 H72 Cl3 La N12 Ni6 O36 -","- C54 H72 Cl3 La N12 Ni6 O36 -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0846","0.0748","","","0.205","0.226","","","","","","1.075","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114015","12.4792","0.0009","12.4792","0.0009","12.7432","0.0009","90","","90","","120","","1718.6","0.2","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 Ce Cl3 N12 Ni6 O36 -","- C54 H72 Ce Cl3 N12 Ni6 O36 -","- C54 H72 Ce Cl3 N12 Ni6 O36 -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0536","0.0358","","","0.0978","0.107","","","","","","1.023","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114016","12.4276","0.0012","12.4276","0.0012","12.753","0.002","90","","90","","120","","1705.8","0.4","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 Cl3 N12 Ni6 O36 Pr -","- C54 H72 Cl3 N12 Ni6 O36.04 Pr -","- C54 H72 Cl3 N12 Ni6 O36.04 Pr -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0632","0.045","","","0.123","0.1367","","","","","","1.027","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114017","12.4749","0.0007","12.4749","0.0007","12.7257","0.0008","90","","90","","120","","1715.09","0.17","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 Cl3 N12 Nd Ni6 O36 -","- C54 H72 Cl3 N12 Nd Ni6 O36 -","- C54 H72 Cl3 N12 Nd Ni6 O36 -","1","0.166667","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0421","0.0339","","","0.0934","0.0991","","","","","","1.071","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114022","17.008","0.002","17.008","0.002","25.054","0.005","90","","90","","120","","6276.5","1.6","203","2","203","2","","","","","","","","7","P -3","-P 3","147","","","","- C84 H124 Cl3 N18 Na4 Ni9 O53.5 -","- C84 H108 Cl3 N18 Na4.01 Ni9 O53.45 -","- C168 H216 Cl6 N36 Na8.02 Ni18 O106.9 -","2","0.333333","","Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder","Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties","Journal of the American Chemical Society","2003","125","","9476","9483","10.1021/ja0341438","","","0.71073","MoKα","","0.0904","0.0696","","","0.179","0.199","","","","","","0.959","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114408","15.29","0.0009","15.29","0.0009","6.905","0.0003","90","","90","","120","","1398.01","0.13","145","2","145","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Ag6 Fe3 N24 O2 -","- C48 H24 Ag6 Fe3 N24 O2 -","- C48 H24 Ag6 Fe3 N24 O2 -","1","0.166667","","Ana Galet; Virginie Niel; M. Carmen Muñoz; José A. Real","Synergy between Spin Crossover and Metallophilicity in Triple Interpenetrated 3D Nets with the NbO Structure Type","Journal of the American Chemical Society","2003","125","","14224","14225","10.1021/ja0377347","","","0.71073","MoKα","","0.0637","0.0333","","","0.0629","0.0693","","","","","","0.961","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114409","15.707","0.0009","15.707","0.0009","7.204","0.0003","90","","90","","120","","1539.19","0.14","240","2","240","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Ag6 Fe3 N24 O2 -","- C48 Ag6 Fe3 N24 O2 -","- C48 Ag6 Fe3 N24 O2 -","1","0.166667","","Ana Galet; Virginie Niel; M. Carmen Muñoz; José A. Real","Synergy between Spin Crossover and Metallophilicity in Triple Interpenetrated 3D Nets with the NbO Structure Type","Journal of the American Chemical Society","2003","125","","14224","14225","10.1021/ja0377347","","","0.71073","MoKα","","0.1382","0.0879","","","0.2393","0.2725","","","","","","1.017","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4115743","8.298","0.001","8.298","0.001","10.519","0.002","90","","90","","120","","627.27","0.16","150","2","150","2","","","","","","","'hydrothermal synthesis at 180 deg C for 3 days'","6","P -3","-P 3","147","csen","mu-ethylenediaminododecahydroxodisulfatooctacobalt(II)-6-water","","- C H16 Co4 N O13 S -","- C0.99 H9.96 Co4 N0.99 O12.97 S -","- C1.98 H19.92 Co8 N1.98 O25.94 S2 -","2","0.333333","","Apinpus Rujiwatra; Cameron J. Kepert; John B. Claridge; Matthew J. Rosseinsky; Hitoshi Kumagai; Mohamedally Kurmoo","Layered Cobalt Hydroxysulfates with Both Rigid and Flexible Organic Pillars: Synthesis, Structure, Porosity, and Cooperative Magnetism","Journal of the American Chemical Society","2001","123","","10584","10594","10.1021/ja0109848","","","0.71073","MoKα","","0.0881","0.0859","","","0.2179","0.2193","","","","","","1.321","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4116760","11.3735","0.0002","11.3735","0.0002","7.7134","0.0002","90","","90","","120","","864.1","0.03","213","2","213","2","","","","","","","","7","P -3","-P 3","147","","","","- C12 H13 B Cl2 N7 O Os -","- C10.5 H11.5 B Cl2.01 N6.99 O0.99 Os -","- C21 H23 B2 Cl4.02 N13.98 O1.98 Os2 -","2","0.333333","","Thomas J. Crevier; Scott Lovell; James M. Mayer; Arnold L. Rheingold; Ilia A. Guzei","Chalcogen Atom Transfer to a Metal Nitrido. The First Transition Metal Selenonitrosyl Complex","Journal of the American Chemical Society","1998","120","","6607","6608","10.1021/ja980992x","","","0.71073","MoKα","","0.0465","0.042","","0.1403","0.1218","","","","1.164","1.047","1.047","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4118364","49.576","0.005","49.576","0.005","9.938","0.002","90","","90","","120","","21153","5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C298 H0 Co14 In18 N14 O224 -","- C270 Co14 In18 O224 -","- C270 Co14 In18 O224 -","1","0.166667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.1685","0.1244","","","0.3342","0.3596","","","","","","1.069","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118365","49.59","0.0003","49.59","0.0003","9.9168","0.0011","90","","90","","120","","21120","2","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C298 H284 In18 N14 Ni14 O224 -","- C270 In18 Ni14 O224 -","- C270 In18 Ni14 O224 -","1","0.166667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.2947","0.1427","","","0.3323","0.3656","","","","","","1.028","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118366","49.4418","0.0006","49.4418","0.0006","10.0065","0.0003","90","","90","","120","","21183.7","0.7","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C298 H284 In18 Mn14 N14 O224 -","- C270 In18 Mn14 O224 -","- C270 In18 Mn14 O224 -","1","0.166667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.1609","0.134","","","0.3697","0.3827","","","","","","1.357","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4119755","22.3054","0.0013","22.3054","0.0013","6.6297","0.0005","90","","90","","120","","2856.6","0.3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H114 N18 O72 U6 -","- C60 H114 N18 O72 U6 -","- C60 H114 N18 O72 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0213","0.0198","","","0.0562","0.0569","","","","","","1.109","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119756","22.4622","0.0009","22.4622","0.0009","6.592","0.0004","90","","90","","120","","2880.4","0.2","210","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0283","0.0232","","","0.0621","0.0643","","","","","","1.075","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119757","22.6821","0.001","22.6821","0.001","6.5371","0.0004","90","","90","","120","","2912.6","0.3","210","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O60 U6 -","- C60 H102 N18 O60 U6 -","- C60 H102 N18 O60 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0184","0.0161","","","0.0459","0.0468","","","","","","1.095","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119758","22.6972","0.0007","22.6972","0.0007","6.5275","0.0002","90","","90","","120","","2912.21","0.16","210","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O60 U6 -","- C60 H102 N18 O60 U6 -","- C60 H102 N18 O60 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0215","0.0172","","","0.0448","0.0463","","","","","","1.086","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119759","22.5338","0.001","22.5338","0.001","6.5999","0.0004","90","","90","","120","","2902.3","0.3","210","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0201","0.0183","","","0.054","0.0547","","","","","","1.091","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119760","22.6097","0.0011","22.6097","0.0011","6.5888","0.0004","90","","90","","120","","2916.9","0.3","293","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0248","0.0196","","","0.0538","0.0559","","","","","","1.089","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119911","51.623","0.007","51.623","0.007","24.455","0.005","90","","90","","120","","56440","16","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C254 H317 Cd18 Cl8 N18 Nd6 O92 -","- C254 H317 Cd18 Cl8 N18 Nd6 O92 -","- C1524 H1902 Cd108 Cl48 N108 Nd36 O552 -","6","1","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.152","0.0808","","","0.1926","0.2268","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119912","51.282","0.007","51.282","0.007","24.391","0.005","90","","90","","120","","55551","16","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C254 H317 Cd18 Cl8 Gd6 N18 O92 -","- C254 H317 Cd18 Cl8 Gd6 N18 O92 -","- C1524 H1902 Cd108 Cl48 Gd36 N108 O552 -","6","1","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.1026","0.0674","","","0.1765","0.1926","","","","","","1.102","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119941","29.053","0.001","29.053","0.001","9.752","0.001","90","","90","","120","","7128.6","0.8","150","0.1","150","0.1","","","","","","","","5","P -3","-P 3","147","","","","- C50 H46 B2 P4 S2 -","- C50 H46 B2 P4 S2 -","- C300 H276 B12 P24 S12 -","6","1","","Hadrien Heuclin; Samuel Y.-F. Ho; Xavier F. Le Goff; Cheuk-Wai So; Nicolas Mézailles","Facile B-H Bond Activation of Borane by Stable Carbenoid Species","Journal of the American Chemical Society","2013","135","","8774","8777","10.1021/ja401763c","","","0.71069","MoKα","","0.124","0.0885","","","0.2147","0.2357","","","","","","1.038","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4120778","14.0183","0.0005","14.0183","0.0005","11.3948","0.0005","90","","90","","120","","1939.22","0.13","100","2","100","2","","","","","","","","5","P -3","-P 3","147","in,in-bis(hydrosilane)","","","- C43 H36 Cl3 S3 Si2 -","- C43 H36 Cl3 S3 Si2 -","- C86 H72 Cl6 S6 Si4 -","2","0.333333","","Jie Zong; Joel T. Mague; Robert A. Pascal","Exceptional Steric Congestion in an in,in-Bis(hydrosilane)","Journal of the American Chemical Society","2013","135","","13235","13237","10.1021/ja407398w","","","1.54178","CuKα","","0.0905","0.0822","","","0.2456","0.2544","","","","","","1.094","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4121089","13.849","0.0016","13.849","0.0016","19.84","0.002","90","","90","","120","","3295.4","0.6","180","2","180","2","","","","","","","","4","P -3","-P 3","147","rubidium germanium tridecaniobate","","","- Ge Nb13 O60 Rb13 -","- Ge Nb12.99 O60.49 Rb13 -","- Ge2 Nb25.98 O120.98 Rb26 -","2","0.333333","","Yu Hou; Lev N. Zakharov; May Nyman","Observing Assembly of Complex Inorganic Materials from Polyoxometalate Building Blocks","Journal of the American Chemical Society","2013","135","","16651","16657","10.1021/ja4086484","","","0.71073","MoKα","","0.0599","0.0489","","","0.129","0.1383","","","","","","1.065","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121312","13.735","0.002","13.735","0.002","11.4476","0.0017","90","","90","","120","","1870.3","0.5","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C37 H15 B F16 N3 S3 Zn -","- C37.06 H15.06 B F16 N3 S3 Zn -","- C74.12 H30.12 B2 F32 N6 S6 Zn2 -","2","0.333333","","Wesley Sattler; Serge Ruccolo; Gerard Parkin","Synthesis, Structure, and Reactivity of a Terminal Organozinc Fluoride Compound: Hydrogen Bonding, Halogen Bonding, and Donor-Acceptor Interactions","Journal of the American Chemical Society","2013","135","","18714","18717","10.1021/ja408733f","","","0.71073","MoKα","","0.1362","0.0399","","","0.0698","0.1015","","","","","","1.12","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121814","25.2432","0.0006","25.2432","0.0006","11.6336","0.0003","90","","90","","120","","6420","0.3","100","0.2","100","0.2","","","","","","","","4","P -3","-P 3","147","","","","- C84 H54 O14 Zn4 -","- C84 H54 O13.9999 Zn4 -","- C168 H108 O27.9998 Zn8 -","2","0.333333","","Zhang, Mei; Feng, Guangxue; Song, Zhegang; Zhou, Yu-Peng; Chao, Hsiu-Yi; Yuan, Daqiang; Tan, Tristan T. Y.; Guo, Zhengang; Hu, Zhigang; Tang, Ben Zhong; Liu, Bin; Zhao, Dan","Two-dimensional metal-organic framework with wide channels and responsive turn-on fluorescence for the chemical sensing of volatile organic compounds.","Journal of the American Chemical Society","2014","136","20","7241","7244","10.1021/ja502643p","","","1.54184","CuKα","","0.0819","0.0723","","","0.1986","0.2077","","","","","","1.108","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121815","25.2435","0.0014","25.2435","0.0014","11.6675","0.0006","90","","90","","120","","6438.8","0.6","100","0.2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C84 H54 O13 Zn4 -","- C84 H54 O13 Zn4 -","- C168 H108 O26 Zn8 -","2","0.333333","","Zhang, Mei; Feng, Guangxue; Song, Zhegang; Zhou, Yu-Peng; Chao, Hsiu-Yi; Yuan, Daqiang; Tan, Tristan T. Y.; Guo, Zhengang; Hu, Zhigang; Tang, Ben Zhong; Liu, Bin; Zhao, Dan","Two-dimensional metal-organic framework with wide channels and responsive turn-on fluorescence for the chemical sensing of volatile organic compounds.","Journal of the American Chemical Society","2014","136","20","7241","7244","10.1021/ja502643p","","","1.54184","CuKα","","0.1327","0.0949","","","0.24","0.2752","","","","","","0.923","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4124741","10.879","0.002","10.879","0.002","21.208","0.004","90","","90","","120","","2173.7","0.7","123","2","123","2","","","","","","","","6","P -3","-P 3","147","NiInL","","","- C39 H60 In N4 Ni P3 -","- C39 H60 In N4 Ni P3 -","- C78 H120 In2 N8 Ni2 P6 -","2","0.333333","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","0.71073","MoKα","","0.0774","0.0489","","","0.1045","0.1131","","","","","","0.977","","","","has coordinates","170012","2020-10-21","18:00:00",""
"4124750","27.7832","0.0014","27.7832","0.0014","13.6222","0.0008","90","","90","","120","","9106.3","0.8","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C38.64 H41.3 N1.5 Ni2 O14.91 -","- C38.62 H41.24 N1.5 Ni2 O14.9133 -","- C231.72 H247.44 N9 Ni12 O89.48 -","6","1","","Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying","Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.","Journal of the American Chemical Society","2015","137","48","15066","15069","10.1021/jacs.5b07925","","","0.71073","MoKα","","0.2043","0.1037","","","0.2265","0.2638","","","","","","1.004","","","","has coordinates,has disorder","173579","2020-10-21","18:00:00",""
"4124751","27.593","0.003","27.593","0.003","13.6745","0.0017","90","","90","","120","","9016.5","1.8","220","2","220","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H31 N Ni2 O13 -","- C33 H31 N Ni2 O13 -","- C198 H186 N6 Ni12 O78 -","6","1","","Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying","Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.","Journal of the American Chemical Society","2015","137","48","15066","15069","10.1021/jacs.5b07925","","","0.71073","MoKα","","0.1477","0.0729","","","0.144","0.1548","","","","","","0.953","","","","has coordinates,has disorder","173579","2020-10-21","18:00:00",""
"4125197","11.66","0.005","11.66","0.005","13.306","0.005","90","","90","","120","","1566.7","1.1","110","2","110","2","","","","","","","","6","P -3","-P 3","147","","","","- C31 H46 B Li N4 O2 -","- C30.9999 H45.9999 B Li N4 O1.9998 -","- C61.9998 H91.9998 B2 Li2 N8 O3.9996 -","2","0.333333","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1271","0.0755","","","0.191","0.2199","","","","","","1.074","","","","has coordinates","187921","2020-10-21","18:00:00",""
"4125681","37.979","0.001","37.979","0.001","22.4734","0.0007","90","","90","","120","","28072.8","1.4","100","2","100","2","","","","","","","","5","P -3","-P 3","147","PgC3OH, DMF, Ni","C-propan-3-ol pyrogallol[4]arene, dimethylformamide, nickel","","- C246 H204 N2 Ni24 O138 -","- C246 H204 N2 Ni24 O138 -","- C738 H612 N6 Ni72 O414 -","3","0.5","","Zhang, Chen; Patil, Rahul S.; Liu, Chong; Barnes, Charles L.; Atwood, Jerry L.","Controlled 2D Assembly of Nickel-Seamed Hexameric Pyrogallol[4]arene Nanocapsules.","Journal of the American Chemical Society","2017","139","8","2920","2923","10.1021/jacs.7b00037","","","1.54178","CuKα","","0.2247","0.1573","","","0.4324","0.5132","","","","","","1.984","","","","has coordinates","193078","2020-10-21","18:00:00",""
"4126489","10.302","0.002","10.302","0.002","19.677","0.004","90","","90","","120","","1808.6","0.6","100","2","100","2","","","","","","","","5","P -3","-P 3","147","WTL-67","","","- C33 H50 B Fe N7 -","- C33.0001 H50.0001 B Fe N7 -","- C66.0002 H100 B2 Fe2 N14 -","2","0.333333","","Martinez, Jorge L.; Lin, Hsiu-Jung; Lee, Wei-Tsung; Pink, Maren; Chen, Chun-Hsing; Gao, Xinfeng; Dickie, Diane A.; Smith, Jeremy M.","Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08704","","","0.71073","MoKα","","0.1633","0.0848","","","0.1987","0.2492","","","","","","0.996","","","","has coordinates","201377","2020-10-21","18:00:00",""
"4127720","35.4911","0.0014","35.4911","0.0014","9.9547","0.0004","90","","90","","120","","10859.2","0.7","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C34 H23 N O3.12 -","- C34 H23 N O3.11633 -","- C612 H414 N18 O56.094 -","18","3","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0556","0.0416","","","0.0899","0.0964","","","","","","1.033","","","","has coordinates,has disorder","220904","2020-10-21","18:00:00",""
"4129716","13.0171","0.0007","13.0171","0.0007","29.7312","0.0016","90","","90","","120","","4362.9","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C86 H137 Co2 K2 N12 O19.44 -","- C85.632 H136.26 Co2 K2 N11.98 O19.316 -","- C171.264 H272.52 Co4 K4 N23.96 O38.632 -","2","0.333333","","Stauber, Julia M.; Bloch, Eric D.; Vogiatzis, Konstantinos D.; Zheng, Shao-Liang; Hadt, Ryan G.; Hayes, Dugan; Chen, Lin X.; Gagliardi, Laura; Nocera, Daniel G.; Cummins, Christopher C.","Pushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated Co-O-Co Unit.","Journal of the American Chemical Society","2015","137","49","15354","15357","10.1021/jacs.5b09827","","","0.71073","MoKα","","0.1359","0.0994","","","0.2298","0.2539","","","","","","1.066","","","","has coordinates,has disorder","240384","2020-10-21","18:00:00",""
"4129979","47.21","0.002","47.21","0.002","9.9682","0.0004","90","","90","","120","","19240.5","1.4","150","2","150","2","","","","","","","","4","P -3","-P 3","147","CAU-17","","","- C81 H27 Bi9 O63 -","- C81 H27 Bi9 O63 -","- C486 H162 Bi54 O378 -","6","1","","Inge, A. Ken; Köppen, Milan; Su, Jie; Feyand, Mark; Xu, Hongyi; Zou, Xiaodong; O'Keeffe, Michael; Stock, Norbert","Unprecedented Topological Complexity in a Metal-Organic Framework Constructed from Simple Building Units.","Journal of the American Chemical Society","2016","138","6","1970","1976","10.1021/jacs.5b12484","","","0.6889","","","0.1985","0.1061","","","0.2053","0.2623","","","","","","1.043","","","","has coordinates","240586","2020-10-21","18:00:00",""
"4130074","11.0056","0.001","11.0056","0.001","15.0573","0.0019","90","","90","","120","","1579.4","0.3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H50 B N4 P -","- C33 H50 B N4 P -","- C66 H100 B2 N8 P2 -","2","0.333333","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0515","0.0432","","","0.114","0.1205","","","","","","1.08","","","","has coordinates,has disorder","240658","2020-10-21","18:00:00",""
"4132140","23.4333","0.0011","23.4333","0.0011","9.796","0.0005","90","","90","","120","","4658.5","0.4","100","","100","","","","","","","","","8","P -3","-P 3","147","","","","- C87.5 H64 Cl F9 Fe3 N12 O13 S3 -","- C87.5001 H64.0002 Cl1.0002 F9 Fe3 N12 O13 S3 -","- C175 H128 Cl2.0004 F18 Fe6 N24 O26 S6 -","2","0.333333","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","0.71073","MoKα","","0.0886","0.0626","","","0.1678","0.1836","","","","","","1.033","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132303","19.4179","0.0017","19.4179","0.0017","4.9668","0.0004","90","","90","","120","","1621.9","0.2","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C27.36 H7.44 F12 N12 O0.36 -","- C27.36 H7.44 F12 N12 O0.36 -","- C54.72 H14.88 F24 N24 O0.72 -","2","0.333333","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","0.40651","synchrotron","","0.0707","0.0492","","","0.1499","0.1635","","","","","","1.024","","","","has coordinates,has disorder","242301","2020-10-21","18:00:00",""
"4132971","36.371","0.003","36.371","0.003","9.5002","0.0006","90","","90","","120","","10883.6","1.4","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H23 N O2 S -","- C33 H23 N O2 S -","- C594 H414 N18 O36 S18 -","18","3","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0726","0.0576","","","0.1355","0.1432","","","","","","1.072","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4132972","36.213","0.002","36.213","0.002","9.4339","0.0006","90","","90","","120","","10714","1.1","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C33 H23 N O3 -","- C33 H23 N O3 -","- C594 H414 N18 O54 -","18","3","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.1172","0.0691","","","0.1514","0.1721","","","","","","1.053","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4300033","15.677","0.003","15.677","0.003","16.021","0.002","90","","90","","120","","3409.9","1","183","2","183","2","","","","","","","","5","P -3","-P 3","147","","(mu)-nitrido tris-thioadamantyl tris-(N-tert-butyl anilido) dimolybdenum(IV, V)","","- C60 H87 Mo2 N4 S3 -","- C60 H87 Mo2 N4 S3 -","- C120 H174 Mo4 N8 S6 -","2","0.333333","","Theodor Agapie; Aaron L. Odom; Christopher C. Cummins","In Pursuit of the Molybdenum(III) Tris(thiolate) Fragment: Unusual Structure of a Dimolybdenum μ-Nitrido Complex","Inorganic Chemistry","2000","39","","174","179","10.1021/ic9904891","","","0.71073","MoKα","","0.0702","0.0588","","0.211","0.1823","","","","1.11","1.1","1.1","","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4300221","19.159","0.003","19.159","0.003","20.717","0.004","90","","90","","120","","6585.7","1.9","183","2","183","2","","","","","","","","7","P -3","-P 3","147","[(CF3)2Tp]Ga-GaI3.2(toluene)","","","- C29 H20 B F18 Ga2 I3 N6 -","- C29 H3 B F18 Ga2 I3 N6 -","- C174 H18 B6 F108 Ga12 I18 N36 -","6","1","","H. V. Rasika Dias; Wiechang Jin","Low-Valent Gallium, Indium, and Tin Compounds That Contain a Highly Fluorinated Tris(pyrazolyl)borate Ligand: Syntheses and Characterization of [HB(3,5-(CF3)2Pz)3]Ga, [HB(3,5-(CF3)2Pz)3]In, and [HB(3,5-(CF3)2Pz)3]Sn(CF3SO3)","Inorganic Chemistry","2000","39","","815","819","10.1021/ic9912171","","","0.71073","MoKα","","0.0854","0.0624","","","0.1505","0.1628","","","","","","1.085","","","","has coordinates","120081","2020-10-21","18:00:00",""
"4300690","15.4284","0.0011","15.4284","0.0011","15.8947","0.0016","90","","90","","120","","3276.6","0.5","100","2","100","2","","","","","","","","6","P -3","-P 3","147","boracalix[3]arene_1b","","","- C60 H48 B3 I6 N3 O6 -","- C60 H48 B3 I6 N3 O6 -","- C120 H96 B6 I12 N6 O12 -","2","0.333333","","Victor Barba","","Inorganic Chemistry","2006","","","","","10.1021/ic051850o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4301938","9.2409487","0.0000006","9.2409487","0.0000006","8.5197163","0.0000007","90","","90","","120","","630.07","0.00008","298","2","298","2","","","","","","","","3","P -3","-P 3","147","","dirubidium hexatungsten octadecachloride","","- Cl18 Rb2 W6 -","- Cl18 Rb1.99998 W6 -","- Cl18 Rb1.99998 W6 -","1","0.166667","","Sonja Tragl; Markus Ströbele; Jochen Glaser; Cristian Vicent; Rosa Llusar; H.-Jürgen Meyer","Compounds with the Electron-Rich [W6Cl18]2- Cluster Anion","Inorganic Chemistry","2009","48","","3825","3831","10.1021/ic8019843","powder diffraction","","","X-ray","","","","","","","","","8.1421","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303479","14.1477","0.0004","14.1477","0.0004","18.8263","0.0007","90","","90","","120","","3263.38","0.18","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C54 H72 Fe N22 O13 S -","- C54 H60 Fe N22 O13 S -","- C108 H120 Fe2 N44 O26 S2 -","2","0.333333","","Fuyu Zhuge; Biao Wu; Jianjun Liang; Jin Yang; Yanyan Liu; Chuandong Jia; Christoph Janiak; Ning Tang; Xiao-Juan Yang","Full- or Half-Encapsulation of Sulfate Anion by a Tris(3-pyridylurea) Receptor: Effect of the Secondary Coordination Sphere","Inorganic Chemistry","2009","48","","10249","10256","10.1021/ic9012685","","","0.71073","MoKα","","0.1202","0.0685","","","0.1935","0.235","","","","","","0.996","","","","has coordinates","179072","2020-10-21","18:00:00",""
"4303503","31.122","0.003","31.122","0.003","14.5433","0.0018","90","","90","","120","","12199","2","223","2","223","2","","","","","","","","5","P -3","-P 3","147","","","","- C72 H97 O8 Sb Si -","- C68 H87 O6 Sb Si -","- C408 H522 O36 Sb6 Si6 -","6","1","","Daniel Mendoza-Espinosa; Tracy A. Hanna","Facile Synthesis of Bismuth(III) and Antimony(III) Complexes Supported by Silylated Calix[5]arenes.","Inorganic Chemistry","2009","48","","10312","10325","10.1021/ic9014477","","","0.71073","MoKα","","0.0753","0.0488","","","0.1311","0.1432","","","","","","0.969","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4303753","13.0863","0.0005","13.0863","0.0005","9.9023","0.0004","90","","90","","120","","1468.59","0.1","110","2","110","","","","","","","","","7","P -3","-P 3","147","","","","- C22 H42 F2 Ga6 N6 O42.49 P8 -","- C21.9996 H42 F2 Ga6 N6 O43.4938 P8 -","- C21.9996 H42 F2 Ga6 N6 O43.4938 P8 -","1","0.166667","","Sarah J. Choyke; Samuel M. Blau; Abigail A. Larner; Amy Narducci Sarjeant; Jeongho Yeon; P. Shiv Halasyamani; Alexander J. Norquist","Noncentrosymmetry in New Templated Gallium Fluorophosphates","Inorganic Chemistry","2009","48","","11277","11282","10.1021/ic901770e","","","0.71073","MoKα","","0.0373","0.0307","","0.0742","0.069","0.0674","","","","","","1.0145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306395","12.8734","0.0006","12.8734","0.0006","18.3364","0.0009","90","","90","","120","","2631.7","0.2","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C55 H46.5 Cl Mn3 N9.5 O11 -","- C55 H46.53 Cl Mn3 N9.5 O11 -","- C110 H93.06 Cl2 Mn6 N19 O22 -","2","0.333333","","Chen-I Yang; Wolfgang Wernsdorfer; Kai-Hung Cheng; Motohiro Nakano; Gene-Hsiang Lee; Hui-Lien Tsai","A [MnIII3O]7+ Single-Molecule Magnet: the Anisotropy Barrier Enhanced by Structural Distortion","Inorganic Chemistry","2008","47","","10184","10186","10.1021/ic8012238","","","0.71073","MoKα","","0.0862","0.0762","","","0.1684","0.1731","","","","","","1.285","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306440","18.69","0.001","18.69","0.001","7.766","0.001","90","","90","","120","","2349.3","0.4","173","2","173","2","","","","","","","","7","P -3","-P 3","147","","","","- C23 H40 As7 Cl4 F42 N35 S21 -","- C22.98 H39.96 As7 Cl3.98 F42 N35.04 S21 -","- C22.98 H39.96 As7 Cl3.98 F42 N35.04 S21 -","1","0.166667","","Carsten Knapp; Paul G. Watson; Enno Lork; Daniel H. Friese; Rüdiger Mews; Andreas Decken","Trithiatetrazocine Cations, [RCN4S3]+; Planar Sulfur-Nitrogen 10π Aromatics","Inorganic Chemistry","2008","47","","10618","10625","10.1021/ic801253f","","","0.71073","MoKα","","0.1001","0.0615","","","0.1496","0.1723","","","","","","1.021","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4307165","13.3","0.004","13.3","0.004","11.247","0.007","90","","90","","120","","1722.9","1.3","120","2","120","2","","","","","","","","7","P -3","-P 3","147","","","","- C27.5 H16.5 B Br6 Cl1.5 N6 Tl -","- C27 H16 B Br6 N6 Tl -","- C54 H32 B2 Br12 N12 Tl2 -","2","0.333333","","Glen P. A. Yap; Fernando Jove; Juan Urbano; Eleuterio Alvarez; Swiatoslaw Trofimenko; M. Mar Díaz-Requejo; Pedro J. Pérez","Unusual Polybrominated Polypyrazolylborates and Their Copper(I) Complexes: Synthesis, Characterization, and Catalytic Activity","Inorganic Chemistry","2007","46","","780","787","10.1021/ic061714z","","","0.71073","MoKα","","0.0411","0.0309","","","0.0605","0.0629","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4307166","13.153","0.002","13.153","0.002","12.841","0.005","90","","90","","120","","1923.9","0.9","120","2","120","2","","","","","","","","7","P -3","-P 3","147","","","","- C32 H30 B Br6 N6 O2 Tl -","- C30 H22 B Br6 N6 Tl -","- C60 H44 B2 Br12 N12 Tl2 -","2","0.333333","","Glen P. A. Yap; Fernando Jove; Juan Urbano; Eleuterio Alvarez; Swiatoslaw Trofimenko; M. Mar Díaz-Requejo; Pedro J. Pérez","Unusual Polybrominated Polypyrazolylborates and Their Copper(I) Complexes: Synthesis, Characterization, and Catalytic Activity","Inorganic Chemistry","2007","46","","780","787","10.1021/ic061714z","","","0.71073","MoKα","","0.0181","0.0173","","","0.0429","0.0432","","","","","","1.028","","","","has coordinates,has disorder","179109","2020-10-21","18:00:00",""
"4308171","10.9686","0.0003","10.9686","0.0003","8.6941","0.0005","90","","90","","120","","905.85","0.06","100","2","100","2","","","","","","","","7","P -3","-P 3","147","Fe(4ditz)3(PF6)2.0.75(CH3OH) xx2","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol)","","- C18.75 H33 F12 Fe N24 O0.75 P2 -","- C18.786 H30 F12 Fe N24 O0.786 P2 -","- C18.786 H30 F12 Fe N24 O0.786 P2 -","1","0.166667","","Matthias Bartel; Alina Absmeier; Guy N. L. Jameson; Franz Werner; Kenichi Kato; Masaki Takata; Roman Boca; Miki Hasegawa; Kurt Mereiter; Andrea Caneschi; Wolfgang Linert","Modification of Spin Crossover Behavior through Solvent Assisted Formation and Solvent Inclusion in a Triply Interpenetrating Three-Dimensional Network","Inorganic Chemistry","2007","46","","4220","4229","10.1021/ic070173q","","","0.71073","MoKα","","0.0216","0.0215","","","0.0552","0.0553","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308172","10.963","0.002","10.963","0.002","8.6978","0.0016","90","","90","","120","","905.3","0.3","100","2","100","2","","","","","","","","7","P -3","-P 3","147","Fe(4ditz)3(PF6)2.0.75(CH3OH) xx1","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol)","","- C18.75 H33 F12 Fe N24 O0.75 P2 -","- C18.766 H30 F12 Fe N24 O0.768 P2 -","- C18.766 H30 F12 Fe N24 O0.768 P2 -","1","0.166667","","Matthias Bartel; Alina Absmeier; Guy N. L. Jameson; Franz Werner; Kenichi Kato; Masaki Takata; Roman Boca; Miki Hasegawa; Kurt Mereiter; Andrea Caneschi; Wolfgang Linert","Modification of Spin Crossover Behavior through Solvent Assisted Formation and Solvent Inclusion in a Triply Interpenetrating Three-Dimensional Network","Inorganic Chemistry","2007","46","","4220","4229","10.1021/ic070173q","","","0.71073","MoKα","","0.0332","0.0307","","","0.0783","0.0798","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308173","10.9726","0.0004","10.9726","0.0004","8.6916","0.0007","90","","90","","120","","906.25","0.09","100","2","100","2","","","","","","","","7","P -3","-P 3","147","Fe(4ditz)3(PF6)2.0.25(C2H5OH) xx2","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (ethanol)","","- C18.5 H31.5 F12 Fe N24 O0.25 P2 -","- C18.51 H30 F12 Fe N24 O0.258 P2 -","- C18.51 H30 F12 Fe N24 O0.258 P2 -","1","0.166667","","Matthias Bartel; Alina Absmeier; Guy N. L. Jameson; Franz Werner; Kenichi Kato; Masaki Takata; Roman Boca; Miki Hasegawa; Kurt Mereiter; Andrea Caneschi; Wolfgang Linert","Modification of Spin Crossover Behavior through Solvent Assisted Formation and Solvent Inclusion in a Triply Interpenetrating Three-Dimensional Network","Inorganic Chemistry","2007","46","","4220","4229","10.1021/ic070173q","","","0.71073","MoKα","","0.0334","0.0293","","","0.0729","0.0766","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308174","10.9697","0.0005","10.9697","0.0005","8.6824","0.0008","90","","90","","120","","904.82","0.1","100","2","100","2","","","","","","","","7","P -3","-P 3","147","Fe(4ditz)3(PF6)2.0.25(C2H5OH) xx1","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (ethanol)","","- C18.5 H31.5 F12 Fe N24 O0.25 P2 -","- C18.504 H30 F12 Fe N24 O0.252 P2 -","- C18.504 H30 F12 Fe N24 O0.252 P2 -","1","0.166667","","Matthias Bartel; Alina Absmeier; Guy N. L. Jameson; Franz Werner; Kenichi Kato; Masaki Takata; Roman Boca; Miki Hasegawa; Kurt Mereiter; Andrea Caneschi; Wolfgang Linert","Modification of Spin Crossover Behavior through Solvent Assisted Formation and Solvent Inclusion in a Triply Interpenetrating Three-Dimensional Network","Inorganic Chemistry","2007","46","","4220","4229","10.1021/ic070173q","","","0.71073","MoKα","","0.0372","0.0333","","","0.078","0.0803","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309132","11.719","0.0009","11.719","0.0009","7.8041","0.0008","90","","90","","120","","928.19","0.14","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C24 H36 Cl2 Fe N18 O8 -","- C24 H36 Cl2 Fe N18 O8 -","- C24 H36 Cl2 Fe N18 O8 -","1","0.166667","","Robert Bronisz","1,4-Di(1,2,3-triazol-1-yl)butane as Building Block for the Preparation of the Iron(II) Spin-Crossover 2D Coordination Polymer","Inorganic Chemistry","2005","44","","4463","4465","10.1021/ic050449z","","","0.71073","MoKα","","0.0922","0.0567","","","0.1048","0.1143","","","","","","1.224","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309133","11.6562","0.0012","11.6562","0.0012","7.7453","0.0009","90","","90","","120","","911.35","0.17","130","2","130","2","","","","","","","","6","P -3","-P 3","147","","","","- C24 H36 Cl2 Fe N18 O8 -","- C24 H36 Cl2 Fe N18 O8 -","- C24 H36 Cl2 Fe N18 O8 -","1","0.166667","","Robert Bronisz","1,4-Di(1,2,3-triazol-1-yl)butane as Building Block for the Preparation of the Iron(II) Spin-Crossover 2D Coordination Polymer","Inorganic Chemistry","2005","44","","4463","4465","10.1021/ic050449z","","","0.71073","MoKα","","0.0841","0.069","","","0.1077","0.1123","","","","","","1.195","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309134","11.6138","0.0009","11.6138","0.0009","7.7724","0.001","90","","90","","120","","907.89","0.15","135","2","135","2","","","","","","","","6","P -3","-P 3","147","","","","- C24 H36 Cl2 Fe N18 O8 -","- C24 H36 Cl2 Fe N18 O8 -","- C24 H36 Cl2 Fe N18 O8 -","1","0.166667","","Robert Bronisz","1,4-Di(1,2,3-triazol-1-yl)butane as Building Block for the Preparation of the Iron(II) Spin-Crossover 2D Coordination Polymer","Inorganic Chemistry","2005","44","","4463","4465","10.1021/ic050449z","","","0.71073","MoKα","","0.1114","0.0808","","","0.105","0.1103","","","","","","1.439","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309462","19.0136","0.0003","19.0136","0.0003","8.5131","0.0002","90","","90","","120","","2665.31","0.09","180","2","180","2","","","","","","","","7","P -3","-P 3","147","","","","- C72 H66 Cs2 N12 Ni12 O40 S12 -","- C72 H56 Cs2.02 N12 Ni12 O39.98 S12 -","- C72 H56 Cs2.02 N12 Ni12 O39.98 S12 -","1","0.166667","","Simon M. Humphrey; Richard A. Mole; Mary McPartlin; Eric J. L. McInnes; Paul T. Wood","Isolated Magnetic Clusters of Co(II) and Ni(II) within 3-Dimensional Organic Frameworks of 6-Mercaptonicotinic Acid: Unique Structural Topologies Based on Selectivity for Hard and Soft Coordination Environments","Inorganic Chemistry","2005","44","","5981","5983","10.1021/ic050768q","","","0.71073","MoKα","","0.0327","0.0299","","","0.0708","0.072","","","","","","1.042","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4310287","11.258","0.006","11.258","0.006","8.948","0.006","90","","90","","120","","982.2","1","300","1","300","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12.328 Fe N24 O1.236 P2 -","- C18 H30 F12.328 Fe N24 O1.236 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0514","0.0487","","","0.1382","0.1416","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310288","10.989","0.003","10.989","0.003","8.702","0.002","90","","90","","120","","910.1","0.4","100","1","100","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.072 P2 -","- C18 H30 F12 Fe N24 O1.072 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.035","0.0337","","","0.0712","0.0718","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310289","10.995","0.005","10.995","0.005","8.714","0.004","90","","90","","120","","912.3","0.7","140","1","140","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.06 P2 -","- C18 H30 F12 Fe N24 O1.06 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0389","0.0363","","","0.0756","0.0768","","","","","","1.136","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310290","10.997","0.008","10.997","0.008","8.714","0.005","90","","90","","120","","912.6","1.1","150","1","150","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.056 P2 -","- C18 H30 F12 Fe N24 O1.056 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0406","0.0361","","","0.0779","0.0798","","","","","","1.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310291","11.076","0.004","11.076","0.004","8.762","0.003","90","","90","","120","","930.9","0.6","160","1","160","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.274 P2 -","- C18 H30 F12 Fe N24 O1.274 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0339","0.0313","","","0.0768","0.0782","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310292","11.126","0.003","11.126","0.003","8.795","0.003","90","","90","","120","","942.9","0.5","165","1","165","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.228 P2 -","- C18 H30 F12 Fe N24 O1.228 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0526","0.0442","","","0.0944","0.0984","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310293","11.2","0.008","11.2","0.008","8.837","0.007","90","","90","","120","","960","1.2","170","1","170","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.294 P2 -","- C18 H30 F12 Fe N24 O1.294 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0485","0.0428","","","0.0997","0.1027","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310294","11.253","0.006","11.253","0.006","8.879","0.005","90","","90","","120","","973.7","0.9","180","1","180","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.202 P2 -","- C18 H30 F12 Fe N24 O1.202 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0511","0.0468","","","0.116","0.1192","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310295","11.259","0.007","11.259","0.007","8.887","0.006","90","","90","","120","","975.6","1.1","200","1","200","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.168 P2 -","- C18 H30 F12 Fe N24 O1.168 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0532","0.0496","","","0.1282","0.1309","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311288","32.4052","0.0004","32.4052","0.0004","11.8909","0.0002","90","","90","","120","","10813.7","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C103 H113 Cl45 Fe6 N6 O12 -","- C103 H113 Cl45 Fe6 N6 O12 -","- C309 H339 Cl135 Fe18 N18 O36 -","3","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.1374","0.0743","","","0.1942","0.2232","","","","","","1.261","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311398","30.996","0.004","30.996","0.004","9.3121","0.0019","90","","90","","120","","7748","2","153","2","153","2","","","","","","","","7","P -3","-P 3","147","","","","- C20 H73 N21 Ni2 O19 Re4 Te4 -","- C18 H24 N18 Ni1.5 O3 Re4 Te4 -","- C108 H144 N108 Ni9 O18 Re24 Te24 -","6","1","","Konstantin A. Brylev; Yuri V. Mironov; Nikolai G. Naumov; Vladimir E. Fedorov; James A. Ibers","New Compounds from Tellurocyanide Rhenium Cluster Anions and 3d-Transition Metal Cations Coordinated with Ethylenediamine","Inorganic Chemistry","2004","43","","4833","4838","10.1021/ic040046j","","","0.71073","MoKα","","0.0843","0.057","","","0.1542","0.1646","","","","","","1.061","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311694","14.7993","0.0006","14.799","","9.4457","0.0004","90","","90","","120","","1791.59","0.11","296","2","296","2","","","","","","","","6","P -3","-P 3","147","Ammonium barium titanium(IV) citrate","","","- C36 H85 Ba3 N7 O57 Ti2 -","- C36 H63 Ba3 N7.02 O57 Ti2 -","- C36 H63 Ba3 N7.02 O57 Ti2 -","1","0.166667","","Yuan-Fu Deng; Zhao-Hui Zhou; Hui-Lin Wan","pH-Dependent Isolations and Spectroscopic, Structural, and Thermal Studies of Titanium Citrate Complexes","Inorganic Chemistry","2004","43","","6266","6273","10.1021/ic0496018","","","0.71073","MoKα","","0.0448","0.0426","","","0.1171","0.1191","","","","","","1.099","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311892","5.833576","0.000004","5.833576","0.000004","8.283003","0.000002","90","","90","","120","","244.111","0.0002","","","","","","","","","","","","4","P -3","-P 3","147","","","","- Cr2 Li14 N8 O -","- Cr2 Li14.0001 N8.00006 O1.00003 -","- Cr2 Li14.0001 N8.00006 O1.00003 -","1","0.166667","","Jordi Cabana; Christopher D. Ling; Judith Oró-Solé; Damien Gautier; Gerard Tobías; Stefan Adams; Enric Canadell; M. Rosa Palacín","Antifluorite-Type Lithium Chromium Oxide Nitrides: Synthesis, Structure, Order, and Electrochemical Properties","Inorganic Chemistry","2004","43","","7050","7060","10.1021/ic049138z","powder diffraction","neutron","2.41782","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.1191","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313329","12.888","0.002","12.888","0.002","9.743","0.003","90","","90","","120","","1401.5","0.5","293","2","293","2","","","","","","","","7","P -3","-P 3","147","[LOETTiF3]","[LOEtTiF3]","","- C17 H35 Co F3 O9 P3 Ti -","- C16.98 H34.98 Co F3 O9 P3 Ti -","- C33.96 H69.96 Co2 F6 O18 P6 Ti2 -","2","0.333333","","Tony C. H. Lam; Eddie Y. Y. Chan; Wing-Leung Mak; Samuel M. F. Lo; Ian D. Williams; Wing-Tak Wong; Wa-Hung Leung","Half-Sandwich Titanium(IV) Complexes with Kläui's Tripod Ligand","Inorganic Chemistry","2003","42","","1842","1847","10.1021/ic020287w","","","0.71073","MoKα","","0.0726","0.0472","","","0.1265","0.1405","","","","","","1.029","","","","has coordinates","179191","2020-10-21","18:00:00",""
"4313330","12.9896","0.0004","12.9896","0.0004","9.8982","0.0007","90","","90","","120","","1446.37","0.12","293","2","293","2","","","","","","","","8","P -3","-P 3","147","[LOEtZrF3]","","","- C17 H35 B0 Co F3 O9 P3 Zr -","- C16.98 H34.98 Co F3 O9 P3 Zr -","- C33.96 H69.96 Co2 F6 O18 P6 Zr2 -","2","0.333333","","Tony C. H. Lam; Eddie Y. Y. Chan; Wing-Leung Mak; Samuel M. F. Lo; Ian D. Williams; Wing-Tak Wong; Wa-Hung Leung","Half-Sandwich Titanium(IV) Complexes with Kläui's Tripod Ligand","Inorganic Chemistry","2003","42","","1842","1847","10.1021/ic020287w","","","0.71073","MoKα","","0.0505","0.0415","","","0.1006","0.1057","","","","","","1.029","","","","has coordinates","179191","2020-10-21","18:00:00",""
"4314140","14.856","0.002","14.856","0.002","9.195","0.002","90","","90","","120","","1757.5","0.5","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C46 H106 Cr2 N30 Ni3 O16 -","- C46.02 H72 Cr2 N30 Ni3 O15.98 -","- C46.02 H72 Cr2 N30 Ni3 O15.98 -","1","0.166667","","Hui-Zhong Kou; Bei Chuan Zhou; Song Gao; Dai-Zheng Liao; Ru-Ji Wang","Pendant Macrocyclic Metallic Building Blocks for the Design of Cyano-Bridged Heterometallic Complexes with 1D Chain and 2D Layer Structures","Inorganic Chemistry","2003","42","","5604","5611","10.1021/ic034028y","","","0.71073","MoKα","","0.0644","0.0444","","","0.1142","0.1196","","","","","","0.951","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314161","17.4387","0.0004","17.4387","0.0004","7.6847","0.0002","90","","90","","120","","2023.88","0.08","260","1","260","1","","","","","","","","7","P -3","-P 3","147","","","","- C18 H18 B2 F8 Fe N6 O6 -","- C18 H18 B2 F8 Fe N6 O6 -","- C54 H54 B6 F24 Fe3 N18 O18 -","3","0.5","","Wendy Hibbs; Petra J. van Koningsbruggen; Atta M. Arif; William W. Shum; Joel S. Miller","One- and Two-Step Spin-Crossover Behavior of [FeII(isoxazole)6]2+ and the Structure and Magnetic Properties of Triangular [FeIII3O(OAc)6(isoxazole)3][ClO4]","Inorganic Chemistry","2003","42","","5645","5653","10.1021/ic034226p","","","0.71073","MoKα","","0.072","0.0496","","","0.1296","0.1476","","","","","","1.025","","","","has coordinates,has disorder","179211","2020-10-21","18:00:00",""
"4314163","17.5829","0.0003","17.5829","0.0003","7.8043","0.0002","90","","90","","120","","2089.52","0.07","295","1","295","1","","","","","","","","6","P -3","-P 3","147","","","","- C18 H18 Cl2 Fe N6 O14 -","- C18 H18 Cl2 Fe N6 O14 -","- C54 H54 Cl6 Fe3 N18 O42 -","3","0.5","","Wendy Hibbs; Petra J. van Koningsbruggen; Atta M. Arif; William W. Shum; Joel S. Miller","One- and Two-Step Spin-Crossover Behavior of [FeII(isoxazole)6]2+ and the Structure and Magnetic Properties of Triangular [FeIII3O(OAc)6(isoxazole)3][ClO4]","Inorganic Chemistry","2003","42","","5645","5653","10.1021/ic034226p","","","0.71073","MoKα","","0.1463","0.0886","","","0.2555","0.308","","","","","","1.016","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314802","18.631","0.003","18.631","0.003","14.821","0.003","90","","90","","120","","4455.3","1.4","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","","","- C23 H43 Cl2 N P2 Pt -","- C23 H43 Cl2 N P2 Pt -","- C138 H258 Cl12 N6 P12 Pt6 -","6","1","","Moran Feller; Eyal Ben-Ari; Mark A. Iron; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; Leonid Konstantinovski; David Milstein","Cationic, Neutral, and Anionic PNP PdII and PtII Complexes: Dearomatization by Deprotonation and Double-Deprotonation of Pincer Systems","Inorganic Chemistry","2010","49","","1615","1625","10.1021/ic902012z","","","0.71073","MoKα","","0.0603","0.0387","","","0.0946","0.1019","","","","","","1.014","","","","has coordinates","179228","2020-10-21","18:00:00",""
"4315682","7.5575","0.0004","7.5575","0.0004","5.105","0.0006","90","","90","","120","","252.51","0.04","150","2","150","2","","","","","","","","4","P -3","-P 3","147","","","","- Cs2 H6 O12 Sn -","- Cs2 H6 O12 Sn -","- Cs2 H6 O12 Sn -","1","0.166667","","Andrei V. Churakov; Sergey Sladkevich; Ovadia Lev; Tatiana A. Tripol'skaya; Petr V. Prikhodchenko","Cesium Hydroperoxostannate: First Complete Structural Characterization of a Homoleptic Hydroperoxocomplex","Inorganic Chemistry","2010","49","","4762","4764","10.1021/ic100554u","","","0.71073","MoKα","","0.0128","0.012","","","0.0291","0.0293","","","","","","1.141","","","","has coordinates","179236","2020-10-21","18:00:00",""
"4316419","19.5856","0.0006","19.5856","0.0006","15.7843","0.0009","90","","90","","120","","5243.6","0.4","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H68.088 Ag2.436 Cl2.061 Eu4 O27.044 S18 -","- C54 H68.098 Ag2.436 Cl2.061 Eu4 O27.044 S18 -","- C108 H136.196 Ag4.872 Cl4.122 Eu8 O54.088 S36 -","2","0.333333","","Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che; Jianhua Lin","Reactions of H2S with AgCl within a Porous Coordination Network","Inorganic Chemistry","2010","49","","7629","7631","10.1021/ic101051r","","","0.71073","MoKα","","0.0432","0.0355","","","0.0843","0.0877","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4316420","19.7524","0.0012","19.7524","0.0012","15.346","0.002","90","","90","","120","","5185.2","0.8","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C108 H150.27 Eu8 O60.08 S36 -","- C108 H150.266 Eu8 O60.082 S36 -","- C108 H150.266 Eu8 O60.082 S36 -","1","0.166667","","Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che; Jianhua Lin","Reactions of H2S with AgCl within a Porous Coordination Network","Inorganic Chemistry","2010","49","","7629","7631","10.1021/ic101051r","","","0.71073","MoKα","","0.083","0.0507","","","0.1262","0.1399","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4317897","17.705","0.001","17.705","0.001","6.94","0.001","90","","90","","120","","1884","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C8 H20 Cu0.5 N3 O5 -","- C8 H14 Cu0.5 N3 O5 -","- C48 H84 Cu3 N18 O30 -","6","1","","Jung Woo Ko; Kil Sik Min; Myunghyun Paik Suh","A Hybrid Consisting of Coordination Polymer and Noncovalent Organic Networks: A Highly Ordered 2-D Phenol Network Assembled by Edge-to-Face π-π Interactions","Inorganic Chemistry","2002","41","","2151","2157","10.1021/ic011281u","","","0.71073","MoKα","","0.1563","0.1062","","0.3868","0.2605","","","","1.098","1.184","1.184","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318214","6.717","0.005","6.717","0.005","7.204","0.008","90","","90","","120","","281.5","0.4","293","2","293","2","","","","","","","","4","P -3","-P 3","147","","","","- As2 K2 S6 Sn -","- As2 K2 S6 Sn -","- As2 K2 S6 Sn -","1","0.166667","","Ratnasabapathy G. Iyer; Mercouri G. Kanatzidis","Controlling Lewis Basicity in Polythioarsenate Fluxes: Stabilization of KSnAsS5 and K2SnAs2S6. Extended Chains and Slabs Based on Pyramidal β-[AsS4]3- and [AsS3]3- Units","Inorganic Chemistry","2002","41","","3605","3607","10.1021/ic025523h","","","0.71073","MoKα","","0.0757","0.0554","","","0.106","0.1113","","","","","","1.157","","","","has coordinates","179262","2020-10-21","18:00:00",""
"4318805","19.128","0.004","19.128","0.004","27.937","0.007","90","","90","","120","","8852","3","296","","296","","","","","","","","","6","P -3","-P 3","147","","","","- C166 H170 Ca N19 O25 P3 -","- C166 H155.97 Ca N19 O25 P3 -","- C332 H311.94 Ca2 N38 O50 P6 -","2","0.333333","","Akira Onoda; Yusuke Yamada; Taka-aki Okamura; Hitoshi Yamamoto; Norikazu Ueyama","Mononuclear Ca(II)-Bulky Aryl-Phosphate Monoanion and Dianion Complexes with Ortho-Amide Groups","Inorganic Chemistry","2002","41","","6038","6047","10.1021/ic010570f","","","0.71069","MoKα","","0.2033","0.0672","","","0.1886","0.249","","","","","","0.947","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4319643","13.3994","0.0014","13.3994","0.0014","10.5933","0.0016","90","","90","","120","","1647.1","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C78 H78 Cl2 Co N12 O8 -","- C78 H78 Cl2 Co N12 O8 -","- C78 H78 Cl2 Co N12 O8 -","1","0.166667","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Bei-Sheng Kang","Unusual Noninterpenetrating (3,6) Topological Network Assembled by Semirigid Benzimidazole-Based Bridging Ligand","Inorganic Chemistry","2001","40","","2210","2211","10.1021/ic0014282","","","0.71073","MoKα","","0.1273","0.0591","","","0.1527","0.1857","","","","","","1","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4320137","16.6167","0.0009","16.6167","0.0009","6.8101","0.0002","90","","90","","120","","1628.45","0.13","180.2","","180.2","","","","","","","","","5","P -3","-P 3","147","","","","- C21 H48 N3 O18 V -","- C21 H48 N3 O18 V0.333 -","- C42 H96 N6 O36 V0.666 -","2","0.333333","","Marco Melchior; Steven J. Rettig; Barry D. Liboiron; Katherine H. Thompson; Violet G. Yuen; John H. McNeill; Chris Orvig","Insulin-Enhancing Vanadium(III) Complexes","Inorganic Chemistry","2001","40","","4686","4690","10.1021/ic000984t","","","0.7107","MoKα","","0.0857","0.058","","0.1267","","0.064","","","1.741","","","1.741","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320251","13.272","0.003","13.272","0.003","11.728","0.003","90","","90","","120","","1789.1","0.7","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C25 H50 B N12 Na O4 S3 -","- C21 H40 B N12 Na O3 S3 -","- C42 H80 B2 N24 Na2 O6 S6 -","2","0.333333","","Philip J. Bailey; Maurizio Lanfranchi; Luciano Marchiò; Simon Parsons","Hydridotris(thioxotriazolyl)borate (Tt), an Ambidentate (N3/S3) Tripodal Ligand. X-ray Crystal Structures of Sodium, Bismuth(III), Tin(IV), and Manganese(I) Complexes","Inorganic Chemistry","2001","40","","5030","5035","10.1021/ic010398f","","","0.71073","MoKα","","0.0361","0.0313","","","0.0804","0.0818","","","","","","0.98","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320554","13.9148","0.0007","13.9148","0.0007","13.9454","0.001","90","","90","","120","","2338.4","0.2","293","2","293","2","","","","","","","","8","P -3","-P 3","147","","","","- C24 H48 Br4 Cu F6 Mo3 P7 S4 -","- C24 H48 Br4 Cu F6.06 Mo3 P7 S4 -","- C48 H96 Br8 Cu2 F12.12 Mo6 P14 S8 -","2","0.333333","","Marta Feliz; Juan M. Garriga; Rosa Llusar; Santiago Uriel; Mark G. Humphrey; Nigel T. Lucas; Marek Samoc; Barry Luther-Davies","Synthesis, Structure, and Optical-Limiting Properties of Heterobimetallic [M3CuS4] Cuboidal Clusters (M = Mo or W) with Terminal Phosphine Ligands","Inorganic Chemistry","2001","40","","6132","6138","10.1021/ic010098y","","","0.71073","MoKα","","0.0705","0.0441","","","0.0993","0.1114","","","","","","0.982","","","","has coordinates","179308","2020-10-21","18:00:00",""
"4320559","14.863","0.002","14.863","0.002","9.3134","0.0019","90","","90","","120","","1781.8","0.5","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C46 H108 Cr2 N30 Ni3 O11 -","- C46.02 H90 Cr2 N32.04 Ni3 O13.02 -","- C46.02 H90 Cr2 N32.04 Ni3 O13.02 -","1","0.166667","","Hui-Zhong Kou; Song Gao; Ou Bai; Zhe-Ming Wang","Magnetic Characteristics of New Cyano-Bridged Two-Dimensional Honeycomb-Like Bimetallic Assemblies Containing Ni(II)-N\τbC-Cr(III) or Ni(II)-N\τbC-Cr(I) Linkages","Inorganic Chemistry","2001","40","","6287","6294","10.1021/ic010282j","","","0.71073","MoKα","","0.0917","0.063","","","0.1572","0.1693","","","","","","1.147","","","","has coordinates","179308","2020-10-21","18:00:00",""
"4320561","14.919","0.002","14.919","0.002","9.5246","0.0019","90","","90","","120","","1835.9","0.5","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H108 Cr2 N30 Ni3 O9 -","- C48 H90 Cr2 N30 Ni3 O9 -","- C48 H90 Cr2 N30 Ni3 O9 -","1","0.166667","","Hui-Zhong Kou; Song Gao; Ou Bai; Zhe-Ming Wang","Magnetic Characteristics of New Cyano-Bridged Two-Dimensional Honeycomb-Like Bimetallic Assemblies Containing Ni(II)-N\τbC-Cr(III) or Ni(II)-N\τbC-Cr(I) Linkages","Inorganic Chemistry","2001","40","","6287","6294","10.1021/ic010282j","","","0.71073","MoKα","","0.0937","0.0721","","","0.1749","0.1878","","","","","","0.856","","","","has coordinates","179308","2020-10-21","18:00:00",""
"4321239","17.8653","0.0019","17.8653","0.0019","11.5697","0.0017","90","","90","","120","","3198","0.7","143","2","143","2","","","","","","","","7","P -3","-P 3","147","","","","- C55 H50.5 F9 N11.5 Nd O13 S3 -","- C55.02 H36 F9 N11.5 Nd O12.99 S3 -","- C110.04 H72 F18 N23 Nd2 O25.98 S6 -","2","0.333333","","Yann Bretonnière; Raphaël Wietzke; Colette Lebrun; Marinella Mazzanti; Jacques Pécaut","Solid-State and Solution Structure of Lanthanide Complexes of a New Nonadentate Tripodal Ligand Containing Phenanthroline Binding Units","Inorganic Chemistry","2000","39","","3499","3505","10.1021/ic991115a","","","0.71073","MoKα","","0.1619","0.0776","","","0.1942","0.2231","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321423","14.813","0.007","14.813","0.007","15.084","0.007","90","","90","","120","","2866","2","298","2","298","2","","","","","","","","5","P -3","-P 3","147","","","","- C30 H35.5 Fe3 N13 O32.75 -","- C30 H15 Fe3 N13 O32.75 -","- C60 H30 Fe6 N26 O65.5 -","2","0.333333","","Catherine P. Raptopoulou; Vaslis Tangoulis; Vassilis Psycharis","Synthesis and Structural, Spectroscopic, and Magnetic Characterization of (NH4)[Fe3(μ3-OH)(H2L)3(HL)3] (H3L = Orotic Acid) Presenting Two Novel Metal-Binding Modes of the Orotate Ligand: The Case of a Spin-Frustrated System","Inorganic Chemistry","2000","39","","4452","4459","10.1021/ic9914084","","","0.71073","MoKα","","0.0788","0.0621","","","0.1755","0.1908","","","","","","1.101","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4322162","12.124","0.004","12.124","0.004","8.13","0.003","90","","90","","120","","1034.9","0.6","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- H26 Mo8 N6 O44 Te8 -","- Mo8 N6 O44 Te8 -","- Mo8 N6 O44 Te8 -","1","0.166667","","Vidyavathy; K. Vidyasagar","Hydrothermal Synthesis and Characterization of a Novel Two-Dimensional Tellurite of Molybdenum(VI), (NH4)6Mo8Te8O43.H2O","Inorganic Chemistry","1999","38","","3458","3462","10.1021/ic9901160","","","0.71073","MoKα","","0.0656","0.0646","","0.1638","0.1635","","","","1.376","1.395","1.395","","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4322583","29.2589","0.0015","29.2589","0.0015","14.2131","0.0009","90","","90","","120","","10537.4","1","292","2","292","2","","","","","","","","7","P -3","-P 3","147","","","","- C65 H65 Au3 N3 O2 P3 S3 -","- C65 H65 Au3 N3 O2 P3 S3 -","- C390 H390 Au18 N18 O12 P18 S18 -","6","1","","William J. Hunks; Michael C. Jennings; Richard J. Puddephatt","Gold Complexes of Trithiocyanuric Acid: A Two-Dimensional Polymer Assembled through Gold(I)...Gold(I) Interactions","Inorganic Chemistry","1999","38","","5930","5931","10.1021/ic991085b","","","0.71073","MoKα","","0.2088","0.0887","","","0.1584","0.2013","","","","","","1.029","","","","has coordinates,has disorder","179328","2020-10-21","18:00:00",""
"4324978","27.1898","0.0015","27.1898","0.0015","19.8371","0.0011","90","","90","","120","","12700.5","1.2","148","2","148","2","","","","","","","","4","P -3","-P 3","147","","","","- C78 H117 N18 Sm3 -","- C78 H117 N18 Sm3 -","- C468 H702 N108 Sm18 -","6","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]","Inorganic Chemistry","2011","50","","4092","4106","10.1021/ic2000409","","","0.71073","MoKα","","0.0365","0.0252","","","0.0567","0.0623","","","","","","1.055","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4325113","12.0541","0.0003","12.0541","0.0003","19.7252","0.0007","90","","90","","120","","2482.11","0.12","120","","120","","","","","","","","","8","P -3","-P 3","147","","","","- C45 H75 Cl Co Hf I N3 P3 -","- C45 H75 Cl Co Hf I N3 P3 -","- C90 H150 Cl2 Co2 Hf2 I2 N6 P6 -","2","0.333333","","Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas","Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt","Inorganic Chemistry","2011","50","","4647","4655","10.1021/ic200445x","","","0.71073","MoKα","","0.0282","0.02","","0.0446","0.0431","0.0446","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325234","13.823","0.0004","13.823","0.0004","7.9625","0.0002","90","","90","","120","","1317.6","0.06","120","2","120","2","","","","","","","","5","P -3","-P 3","147","","","","- C7 H9 N Ni O5 -","- C7 H9 N Ni O5 -","- C42 H54 N6 Ni6 O30 -","6","1","","Palanikumar Maniam; Norbert Stock","Investigation of Porous Ni-Based Metal-Organic Frameworks Containing Paddle-Wheel Type Inorganic Building Units via High-Throughput Methods","Inorganic Chemistry","2011","50","","5085","5097","10.1021/ic200381f","","","0.71073","MoKα","","0.0576","0.0401","","","0.0698","0.0756","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325533","17.021","0.003","17.021","0.003","23.45","0.005","90","","90","","120","","5883.6","1.9","100","2","100","2","","","","","","","","8","P -3","-P 3","147","","","","- C87 H140 B4 Fe9 Mo3 N18 P6 S13 -","- C87 H140 B4 Fe9 Mo3 N18 P6 S13 -","- C174 H280 B8 Fe18 Mo6 N36 P12 S26 -","2","0.333333","","Bin Xi; R. H. Holm","The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State","Inorganic Chemistry","2011","50","","6280","6288","10.1021/ic200641k","","","0.71073","MoKα","","0.1197","0.0696","","","0.1693","0.1959","","","","","","1.072","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325819","14.043","0.002","14.043","0.002","9.478","0.0019","90","","90","","120","","1618.7","0.5","298","2","298","2","","","","","","","","6","P -3","-P 3","147","","","","- C54 H66 Cl2 N6 Ni7 O26 -","- C54 H66 Cl2 N6 Ni7 O26 -","- C54 H66 Cl2 N6 Ni7 O26 -","1","0.166667","","Lian-Qiang Wei; Kun Zhang; Ying-Chun Feng; Yun-Hong Wang; Ming-Hua Zeng; Mohamedally Kurmoo","Microwave versus Traditional Solvothermal Synthesis of Ni7II Discs: Effect of Ligand on Exchange Reaction in Solution Studied by Electrospray Ionization-Mass Spectroscopy and Magnetic Properties","Inorganic Chemistry","2011","50","","7274","7283","10.1021/ic200883b","","","0.71073","MoKα","","0.1212","0.0627","","","0.1588","0.2237","","","","","","1.107","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325820","14.585","0.002","14.585","0.002","9.6213","0.0019","90","","90","","120","","1772.5","0.5","298","2","298","2","","","","","","","","6","P -3","-P 3","147","","","","- C60 H78 Cl2 N6 Ni7 O26 -","- C60 H78 Cl2 N6 Ni7 O26 -","- C60 H78 Cl2 N6 Ni7 O26 -","1","0.166667","","Lian-Qiang Wei; Kun Zhang; Ying-Chun Feng; Yun-Hong Wang; Ming-Hua Zeng; Mohamedally Kurmoo","Microwave versus Traditional Solvothermal Synthesis of Ni7II Discs: Effect of Ligand on Exchange Reaction in Solution Studied by Electrospray Ionization-Mass Spectroscopy and Magnetic Properties","Inorganic Chemistry","2011","50","","7274","7283","10.1021/ic200883b","","","0.71073","MoKα","","0.1485","0.0618","","","0.1629","0.2356","","","","","","1.069","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4326193","12.9966","0.0014","12.9966","0.0014","16.4807","0.0016","90","","90","","120","","2410.8","0.4","298","2","298","2","","","","","","","","8","P -3","-P 3","147","","","","- C36 H36 F12 N18 Ni3 O2 P2 S0 -","- C36 H36.5 F11.96 N18 Ni3 O2.5 P2 -","- C72 H73 F23.92 N36 Ni6 O5 P4 -","2","0.333333","","Chao Chen; Huayu Qiu; Wanzhi Chen","Synthesis and Characterization of Nickel Inverse 9-Metallacrown-3, Palladium-Silver, and Dinuclear Platinum Complexes Containing Pyrazole-Functionalized NHC Ligands","Inorganic Chemistry","2011","50","","8671","8678","10.1021/ic2012233","","","0.71073","MoKα","","0.16","0.1076","","","0.2818","0.3353","","","","","","1.04","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326604","14.4998","0.0012","14.4998","0.0012","7.6888","0.0015","90","","90","","120","","1400","0.3","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C27 H21 F15 N4 -","- C27 H21 F15 N4 -","- C54 H42 F30 N8 -","2","0.333333","","Purnandhu Bose; I. Ravikumar; Pradyut Ghosh","Anion Binding in the C3v-Symmetric Cavity of a Protonated Tripodal Amine Receptor: Potentiometric and Single Crystal X-ray Studies","Inorganic Chemistry","2011","50","","10693","10702","10.1021/ic2011502","","","0.71073","MoKα","","0.0781","0.06","","","0.1628","0.1766","","","","","","1.086","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4327767","10.159","0.003","10.159","0.003","8.247","0.002","90","","90","","120","","737.1","0.4","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B1.998 F7.992 Fe N24 -","- C14 H20 B1.998 F7.992 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0423","0.0316","","","0.0753","0.0786","","","","","","1.037","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327768","10.14","0.002","10.14","0.002","8.222","0.004","90","","90","","120","","732.1","0.4","225","2","225","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B2 F7.992 Fe N24 -","- C14 H20 B2 F7.992 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0549","0.0367","","","0.0791","0.0847","","","","","","1.043","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327769","10.115","0.003","10.115","0.003","8.202","0.003","90","","90","","120","","726.7","0.4","195","2","195","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B2 F7.992 Fe N24 -","- C14 H20 B2 F7.992 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0484","0.034","","","0.0715","0.0756","","","","","","1.07","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327770","9.982","0.003","9.982","0.003","8.161","0.002","90","","90","","120","","704.2","0.3","190","2","190","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B2.002 F8.016 Fe N24 -","- C14 H20 B2.002 F8.016 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0638","0.0374","","","0.0796","0.0854","","","","","","1.035","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327771","9.967","0.003","9.967","0.003","8.148","0.002","90","","90","","120","","701","0.3","185","2","185","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B1.998 F7.992 Fe N24 -","- C14 H20 B1.998 F7.992 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0437","0.032","","","0.0624","0.065","","","","","","1.084","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327772","9.944","0.003","9.944","0.003","8.126","0.002","90","","90","","120","","695.9","0.3","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B2 F7.94 Fe N24 -","- C14 H20 B2 F7.94 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0404","0.0307","","","0.0626","0.0653","","","","","","1.09","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327773","10.146","0.003","10.146","0.003","8.23","0.002","90","","90","","120","","733.7","0.4","225","2","225","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))","","- C14 H20 B2 F8 Fe N24 -","- C14 H20 B2 F7.992 Fe N24 -","- C14 H20 B2 F7.992 Fe N24 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0391","0.0297","","","0.0656","0.0687","","","","","","1.043","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327774","10.064","0.003","10.064","0.003","8.454","0.003","90","","90","","120","","741.5","0.4","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(perchlorate))","","- C14 H20 Cl2 Fe N24 O8 -","- C14 H20 Cl1.998 Fe N24 O7.992 -","- C14 H20 Cl1.998 Fe N24 O7.992 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.063","0.0346","","","0.0715","0.0792","","","","","","0.91","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327775","10.057","0.003","10.057","0.003","8.446","0.004","90","","90","","120","","739.8","0.5","230","2","230","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(perchlorate))","","- C14 H20 Cl2 Fe N24 O8 -","- C14 H20 Cl1.998 Fe N24 O7.992 -","- C14 H20 Cl1.998 Fe N24 O7.992 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0548","0.0314","","","0.0719","0.0792","","","","","","0.984","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327776","10.022","0.003","10.022","0.003","8.429","0.002","90","","90","","120","","733.2","0.4","185","2","185","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(perchlorate))","","- C14 H20 Cl2 Fe N24 O8 -","- C14 H20 Cl1.998 Fe N24 O7.992 -","- C14 H20 Cl1.998 Fe N24 O7.992 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0636","0.0345","","","0.0718","0.08","","","","","","0.999","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327777","9.917","0.003","9.917","0.003","8.372","0.002","90","","90","","120","","713.1","0.3","155","2","155","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(perchlorate))","","- C14 H20 Cl2 Fe N24 O8 -","- C14 H20 Cl2.002 Fe N24 O8.016 -","- C14 H20 Cl2.002 Fe N24 O8.016 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0416","0.028","","","0.066","0.0701","","","","","","1.028","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327778","9.891","0.002","9.891","0.002","8.352","0.003","90","","90","","120","","707.6","0.3","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(perchlorate))","","- C14 H20 Cl2 Fe N24 O8 -","- C14 H20 Cl2.0002 Fe N24 O8.0016 -","- C14 H20 Cl2.0002 Fe N24 O8.0016 -","1","0.166667","","Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski","HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block","Inorganic Chemistry","2012","51","","237","245","10.1021/ic201535x","","","0.71073","MoKα","","0.0409","0.0292","","","0.068","0.0712","","","","","","1.032","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4328350","28.5021","0.0013","28.5021","0.0013","10.5126","0.001","90","","90","","120","","7396","0.9","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C8 H18 Cl0.33 Mo6 N2 O42 P4 -","- C8 H18 Cl0.333333 Mo6 N2 O42.0033 P4 -","- C48 H108 Cl2 Mo36 N12 O252.02 P24 -","6","1","","Hani El Moll; Anne Dolbecq; Israël Martyr Mbomekalle; Jérôme Marrot; Philippe Deniard; Rémi Dessapt; Pierre Mialane","Tuning the Photochromic Properties of Molybdenum Bisphosphonate Polyoxometalates","Inorganic Chemistry","2012","51","","2291","2302","10.1021/ic202299d","","","0.71073","MoKα","","0.1418","0.0733","","","0.1748","0.2059","","","","","","1.081","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4329455","13.1432","0.0009","13.1432","0.0009","15.5515","0.0013","90","","90","","120","","2326.5","0.3","213","2","213","2","","","","","","","","7","P -3","-P 3","147","","tetrakis(trimethylphosphine)-copper tris(Phenylsulfido)-methyl-gallium methanol solvate","","- C34 H66 Cu Ga O3 P4 S3 -","- C34 H65.97 Cu Ga O3 P4 S3 -","- C68 H131.94 Cu2 Ga2 O6 P8 S6 -","2","0.333333","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0413","0.0287","","","0.0611","0.0634","","","","","","0.927","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329456","13.317","0.0012","13.317","0.0012","15.8022","0.0015","90","","90","","120","","2427","0.4","180","2","180","2","","","","","","","","7","P -3","-P 3","147","","tetrakis(trimethylphosphine)-copper tris(Phenylselenido)-methyl-gallium methanol solvate","","- C34 H66 Cu Ga O3 P4 Se3 -","- C34 H65.97 Cu Ga O3 P4 Se3 -","- C68 H131.94 Cu2 Ga2 O6 P8 Se6 -","2","0.333333","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0448","0.0257","","","0.0442","0.0468","","","","","","0.872","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329493","15.3298","0.0003","15.3298","0.0003","18.3932","0.0004","90","","90","","120","","3743.35","0.13","170","","170","","","","","","","","","7","P -3","-P 3","147","","","","- C84 H198 Cl20 Mo12 O27 P12 S8 -","- C84 H132 Cl20 Mo12 O27.006 P12 S8 -","- C84 H132 Cl20 Mo12 O27.006 P12 S8 -","1","0.166667","","Manuel G. Basallote; M. Jesús Fernández-Trujillo; Jose Ángel Pino-Chamorro; Tomás F. Beltrán; Carolina Corao; Rosa Llusar; Maxim Sokolov; Cristian Vicent","Water-Soluble Mo3S4 Clusters Bearing Hydroxypropyl Diphosphine Ligands: Synthesis, Crystal Structure, Aqueous Speciation, and Kinetics of Substitution Reactions","Inorganic Chemistry","2012","51","","6794","6802","10.1021/ic300517g","","","0.7107","MoKα","","0.0863","0.0518","","","0.1295","0.1497","","","","","","1.067","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4330049","20.7681","0.0008","20.7681","0.0008","27.296","0.002","90","","90","","120","","10195.8","0.9","173","2","173","2","","","","","","","","10","P -3","-P 3","147","","","","- C51 H67 B Cl4 F4 Fe Ni O2 P3 S2 -","- C49 H63 B1.01 F4.04 Fe Ni O2 P3 S2 -","- C294 H378 B6.06 F24.24 Fe6 Ni6 O12 P18 S12 -","6","1","","David Schilter; Thomas B. Rauchfuss; Matthias Stein","Connecting [NiFe]- and [FeFe]-Hydrogenases: Mixed-Valence Nickel-Iron Dithiolates with Rotated Structures","Inorganic Chemistry","2012","51","","8931","8941","10.1021/ic300910r","","","0.71073","MoKα","","0.124","0.0631","","","0.1515","0.1684","","","","","","0.95","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4331170","15.384","0.005","15.384","0.005","11.304","0.004","90","","90","","120","","2316.9","1.3","143","2","143","2","","","","","","","","4","P -3","-P 3","147","","","","- C36 H30 N6 Pd -","- C36 H30 N6 Pd -","- C108 H90 N18 Pd3 -","3","0.5","","Yoshihiro Matano; Tarou Shibano; Haruyuki Nakano; Yoshifumi Kimura; Hiroshi Imahori","Free Base and Metal Complexes of 5,15-Diaza-10,20-dimesitylporphyrins: Synthesis, Structures, Optical and Electrochemical Properties, and Aromaticities","Inorganic Chemistry","2012","51","","12879","12890","10.1021/ic301835c","","","0.7107","MoKα","","0.0673","0.0488","","","0.0876","0.0953","","","","","","1.017","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331171","15.3958","0.0018","15.3958","0.0018","11.2532","0.0013","90","","90","","120","","2310","0.5","143","2","143","2","","","","","","","","4","P -3","-P 3","147","","","","- C36 H30 N6 Pt -","- C36 H30 N6 Pt -","- C108 H90 N18 Pt3 -","3","0.5","","Yoshihiro Matano; Tarou Shibano; Haruyuki Nakano; Yoshifumi Kimura; Hiroshi Imahori","Free Base and Metal Complexes of 5,15-Diaza-10,20-dimesitylporphyrins: Synthesis, Structures, Optical and Electrochemical Properties, and Aromaticities","Inorganic Chemistry","2012","51","","12879","12890","10.1021/ic301835c","","","0.7107","MoKα","","0.0241","0.0235","","","0.0533","0.0557","","","","","","1.056","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331282","28.624","0.008","28.624","0.008","13.206","0.004","90","","90","","120","","9370","5","296","2","296","2","","","","","","","","4","P -3","-P 3","147","","","","- C56 H82 N4 Ni2 -","- C56 H82 N4 Ni2 -","- C336 H492 N24 Ni12 -","6","1","","Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand","Inorganic Chemistry","2012","51","","13162","13170","10.1021/ic301392p","","","0.71073","MoKα","","0.0891","0.0581","","","0.1519","0.1663","","","","","","1.048","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4332485","11.6954","0.0013","11.6954","0.0013","10.8591","0.0016","90","","90","","120","","1286.3","0.3","110","2","110","2","","","","","","","","3","P -3","-P 3","147","Compound1","","","- Ce6.12 I9.12 Mn -","- Ce6.129 I9.13 Mn -","- Ce12.258 I18.26 Mn2 -","2","0.333333","","Sweet, Lucas E.; Hughbanks, Timothy","CsR(R6CoI12)2(R = Gd, Er) and (CeI)0.26(Ce6MnI9)2: Two New Structure Types Featuring R6Z Clusters","Inorganic Chemistry","2006","45","24","9696","9702","10.1021/ic060439d","","","0.71073","MoKα","","0.1239","0.0895","","","0.1868","0.2032","","","","","","1.096","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4333162","11.6122","0.0008","11.6122","0.0008","13.181","0.001","90","","90","","120","","1539.25","0.19","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","Triphenylsiloxy(tri-tert-butylphosphine)copper(I)","","- C30 H42 Cu O P Si -","- C30 H42 Cu O P Si -","- C60 H84 Cu2 O2 P2 Si2 -","2","0.333333","","Medina, Iliana; Jacobsen, Heiko; Mague, Joel T.; Fink, Mark J.","Dicoordinate Copper(I) Silanechalcogenolates","Inorganic Chemistry","2006","45","22","8844","8846","10.1021/ic061579q","","","0.71073","MoKα","","0.0815","0.076","","","0.1961","0.2008","","","","","","1.127","","","","has coordinates,has disorder","179434","2020-10-21","18:00:00",""
"4333270","23.6136","0.0012","23.6136","0.0012","13.4921","0.0015","90","","90","","120","","6515.3","0.9","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C92.5 H178 Mn15 O58 -","- C92.51 H178.02 Mn15 O57.98 -","- C185.02 H356.04 Mn30 O115.96 -","2","0.333333","","Zheng, Yan-Zhen; Xue, Wei; Zhang, Wei-Xiong; Tong, Ming-Liang; Chen, Xiao-Ming","From Pseudo to TrueC3Symmetry: Magnetic Anisotropy Enhanced by Site-Specific Ligand Substitution in Two Mn15-Carboxylate Clusters","Inorganic Chemistry","2007","46","16","6437","6443","10.1021/ic7004584","","","0.71073","MoKα","","0.0824","0.0589","","","0.1517","0.172","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334923","16.527","0.004","16.527","0.003","18.067","0.004","90","","90","","120","","4273.7","1.6","200","2","200","2","","","","","","","synthesis as described","8","P -3","-P 3","147","","","","- C84 H114 Cl3 K N4 O6 Ti3 Y -","- C42 H72 Cl3 K N4 O6 Ti3 Y -","- C84 H144 Cl6 K2 N8 O12 Ti6 Y2 -","2","0.333333","","Jorge Caballo; Jorge J. Carbó; Miguel Mena; Adrián Pérez-Redondo; Josep-M. Poblet; Carlos Yélamos","Redox-Active Behavior of the [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand","Inorganic Chemistry","2013","52","","6103","6109","10.1021/ic400463a","","x-ray","0.71073","MoKα","","0.1167","0.0819","","","0.2225","0.2386","","","","","","1.069","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4335568","5.22264","0.00004","5.22264","0.00004","8.26062","0.0001","90","","90","","120","","195.13","0.003","","","","","","","","","","","","4","P -3","-P 3","147","","","","- Ba Co2 O8 P2 -","- Ba Co2 O8 P2 -","- Ba Co2 O8 P2 -","1","0.166667","","Rénald David; Houria Kabbour; Alain Pautrat; Olivier Mentré","Puzzling Polymorphism of Layered Ba(CoPO4)2","Inorganic Chemistry","2013","52","","8732","8737","10.1021/ic4009027","powder diffraction","","","x-ray","","","","","","","","","8.113","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336198","30.465","0.001","30.465","0.001","8.7859","0.0004","90","","90","","120","","7061.9","0.5","153","2","153","","","","","","","","","4","P -3","-P 3","147","","","","- C66 H60 N12 Pd3 -","- C66 H60 N12 Pd3 -","- C132 H120 N24 Pd6 -","2","0.333333","","Kazuhiro Uehara; Takamichi Oishi; Takayuki Hirose; Noritaka Mizuno","Synthesis and Characterization of Molecular Hexagons and Rhomboids and Subsequent Encapsulation of Keggin-Type Polyoxometalates by Molecular Hexagons","Inorganic Chemistry","2013","52","","11200","11209","10.1021/ic401428v","","x-ray","0.71069","MoKα","","","0.0678","","","","0.221","","","","","","0.631","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336506","15.1306","0.0005","15.1306","0.0005","11.0313","0.0004","90","","90","","120","","2187.1","0.13","173","","173","","","","","","","","","6","P -3","-P 3","147","","","","- C42 H42 F9 Ir N6 O3 -","- C42 H42 F9 Ir N6 O3 -","- C84 H84 F18 Ir2 N12 O6 -","2","0.333333","","Takashi Karatsu; Masatomo Takahashi; Shiki Yagai; Akihide Kitamura","Photophysical Properties of Substituted Homoleptic and Heteroleptic Phenylimidazolinato Ir(III) Complexes as a Blue Phosphorescent Material","Inorganic Chemistry","2013","52","","12338","12350","10.1021/ic400950u","","","0.71073","MoKα","","0.0195","0.0167","","","0.0479","0.0596","","","","","","1.264","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336507","15.2655","0.0017","15.2655","0.0017","10.3994","0.0012","90","","90","","120","","2098.8","0.4","173","","173","","","","","","","","","5","P -3","-P 3","147","","","","- C42 H42 F9 Ir N6 -","- C42 H42 F9 Ir N6 -","- C84 H84 F18 Ir2 N12 -","2","0.333333","","Takashi Karatsu; Masatomo Takahashi; Shiki Yagai; Akihide Kitamura","Photophysical Properties of Substituted Homoleptic and Heteroleptic Phenylimidazolinato Ir(III) Complexes as a Blue Phosphorescent Material","Inorganic Chemistry","2013","52","","12338","12350","10.1021/ic400950u","","","0.71073","MoKα","","0.0222","0.0199","","","0.0571","0.0701","","","","","","1.221","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4338986","7.2702","0.0011","7.2702","0.0011","10.952","0.002","90","","90","","120","","501.32","0.14","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C6 H15 N3 O P2 -","- C6 H15 N3 O P2 -","- C12 H30 N6 O2 P4 -","2","0.333333","","Thirupathi, Natesan; Stricklen, Phillip M.; Liu, Xiaodong; Oshel, Reed; Guzei, Ilia; Ellern, Arkady; Verkade, John G.","Comparisons of phosphorus ligation properties in P(CH2NR)3P.","Inorganic chemistry","2007","46","22","9351","9363","10.1021/ic0703070","","","0.71073","MoKα","","0.0467","0.0401","","","0.1072","0.1116","","","","","","1.108","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4339103","25.073","0.004","25.073","0.004","12.7482","0.0018","90","","90","","120","","6940.5","1.8","123","2","123","2","","","","","","","","7","P -3","-P 3","147","","","","- C244 H234 Br12 Fe6 Mn6 N56 O48 -","- C244 H180 Br12 Fe6 Mn6 N56 O48 -","- C244 H180 Br12 Fe6 Mn6 N56 O48 -","1","0.166667","","Ni, Zhong-Hai; Zhang, Li-Fang; Tangoulis, Vassilis; Wernsdorfer, Wolfgang; Cui, Ai-Li; Sato, Osamu; Kou, Hui-Zhong","Substituent effect on formation of heterometallic molecular wheels: synthesis, crystal structure, and magnetic properties.","Inorganic chemistry","2007","46","15","6029","6037","10.1021/ic700528a","","","0.71073","MoKα","","0.0969","0.0936","","","0.2306","0.2323","","","","","","0.879","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4339104","25.009","0.005","25.009","0.005","12.512","0.002","90","","90","","120","","6777","2","113","2","113","2","","","","","","","","7","P -3","-P 3","147","","","","- C238 H227 Cl12 Fe6 Mn6 N53 O49 -","- C238 H162 Cl12 Fe6 Mn6 N53 O49 -","- C238 H162 Cl12 Fe6 Mn6 N53 O49 -","1","0.166667","","Ni, Zhong-Hai; Zhang, Li-Fang; Tangoulis, Vassilis; Wernsdorfer, Wolfgang; Cui, Ai-Li; Sato, Osamu; Kou, Hui-Zhong","Substituent effect on formation of heterometallic molecular wheels: synthesis, crystal structure, and magnetic properties.","Inorganic chemistry","2007","46","15","6029","6037","10.1021/ic700528a","","","0.71075","MoKα","","0.082","0.0761","","","0.1867","0.191","","","","","","1.057","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4339374","67.645","0.01","67.645","0.01","21.559","0.004","90","","90","","120","","85434","2","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","","","- C318 H306 Cl18 Cu9 N72 O123 S14 -","- C315 Cl11 Cu9 N72 O94 S14 -","- C1890 Cl66 Cu54 N432 O564 S84 -","6","1","","Park, Jaejoon; Hong, Seunghee; Moon, Dohyun; Park, Mira; Lee, Kyungjin; Kang, Sangmi; Zou, Yang; John, Rohith P.; Kim, Ghyung Hwa; Lah, Myoung Soo","Porous metal-organic frameworks based on metal-organic polyhedra with nanosized cavities as supramolecular building blocks: two-fold interpenetrating primitive cubic networks of [Cu6L8]12+ nanocages.","Inorganic chemistry","2007","46","24","10208","10213","10.1021/ic7013623","","","0.7","?synchrotronsynchrotron","","0.2092","0.1307","","","0.3274","0.3634","","","","","","0.852","","","","has coordinates,has disorder","179496","2020-10-21","18:00:00",""
"4339509","15.077","","15.077","","8.056","","90","","90","","120","","1585.92","","293","2","","","","","","","","","","5","P -3","-P 3","147","","","","- C30 H19 B N9 Tl -","- C30 H19 B N9 Tl -","- C60 H38 B2 N18 Tl2 -","2","0.333333","","Zhao, Ningfeng; Van Stipdonk, Michael J.; Bauer, Cary; Campana, Charles; Eichhorn, David M.","Sandwich compounds of cyanotrispyrazolylborates: complexation-induced ligand isomerization.","Inorganic chemistry","2007","46","21","8662","8667","10.1021/ic700628b","","x-ray","0.71073","MoKα","","","0.0379","","","","0.1016","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340373","16.0207","0.0007","16.0207","0.0007","17.076","0.0009","90","","90","","120","","3795.6","0.3","296.2","1","296.2","1","","","","","","","","7","P -3","-P 3","147","","","","- C19 H21 Cl3 Cu N O4 P0.33 -","- C19 H21 Cl3 Cu N O4 P0.333333 -","- C114 H126 Cl18 Cu6 N6 O24 P2 -","6","1","","Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia","Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons.","Inorganic chemistry","2014","53","14","7276","7287","10.1021/ic500573e","","","0.7107","MoKα","","0.0578","0.0513","","","0.1484","0.1543","","","","","","1.075","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340978","16.0906","0.001","16.0906","0.001","8.4214","0.0005","90","","90","","120","","1888.2","0.2","100","0.5","100","0.5","","","","","","","","5","P -3","-P 3","147","hannb01","","","- C21 H63.5 N3.5 Sb Si7 -","- C21.0006 H63.5019 N3.5001 Sb Si7.0002 -","- C42.0012 H127.004 N7.0002 Sb2 Si14.0004 -","2","0.333333","","Boyde, Nicholas C.; Chmely, Stephen C.; Hanusa, Timothy P.; Rheingold, Arnold L.; Brennessel, William W.","Structural distortions in M[E(SiMe₃)₂]₃ complexes (M = group 15, f-element; E = N, CH): is three a crowd?","Inorganic chemistry","2014","53","18","9703","9714","10.1021/ic501232z","","","0.71073","MoKα","","0.0715","0.0596","","","0.1522","0.1635","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341473","22.6945","0.0007","22.6945","0.0007","9.9881","0.0005","90","","90","","120","","4455.1","0.3","100","0.1","100","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C72 H63 Cu3 N3 P6 S -","- C72 H63 Cu3 N3 P6 S -","- C144 H126 Cu6 N6 P12 S2 -","2","0.333333","","Johnson, Brittany J.; Lindeman, Sergey V.; Mankad, Neal P.","Assembly, Structure, and Reactivity of Cu4S and Cu3S Models for the Nitrous Oxide Reductase Active Site, CuZ*.","Inorganic chemistry","2014","53","19","10611","10619","10.1021/ic501720h","","","1.5418","CuKα","","0.0876","0.0773","","","0.2178","0.2253","","","","","","1.055","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4343898","11.3119","0.0007","11.3119","0.0007","28.5164","0.0018","90","","90","","120","","3160.1","0.3","173","2","173","2","","","","","","","","8","P -3","-P 3","147","LCrMn2.2.2 CryptK","","","- C57 H96 Cr K Mn N6 O6 P3 -","- C57 H96 Cr K Mn N6 O6 P3 -","- C114 H192 Cr2 K2 Mn2 N12 O12 P6 -","2","0.333333","","Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping.","Inorganic chemistry","2015","54","15","7579","7592","10.1021/acs.inorgchem.5b01163","","","0.71073","MoKα","","0.0361","0.0296","","","0.0689","0.0722","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4343917","12.8279","","12.8279","","7.2631","","90","","90","","120","","1035.06","","","","","","","","","","","","","5","P -3","-P 3","147","","Ba2.5 (V O2)3 (Se O3)4 (H2 O)","","- Ba2.5 H2 O19 Se4 V3 -","- Ba2.5131 O19 Se4 V3 -","- Ba5.0262 O38 Se8 V6 -","2","0.333333","","Sivakumar, T.; Ok, K.M.; Halasyamani, P.S.","Synthesis, structure, and characterization of novel two- and three-dimensional vanadates: Ba2.5 (V O2)3 (Se O3)4 . H2 O and La (V O2)2 (Te O6) . 3H2 O","Inorganic Chemistry","2006","45","","3602","3605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4345119","22.2003","0.0015","22.2003","0.0015","7.7298","0.0004","90","","90","","120","","3299.3","0.4","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H18 F6 Mn N2 O4 -","- C30 H18 F6 Mn N2 O4 -","- C90 H54 F18 Mn3 N6 O12 -","3","0.5","","Chen, Gong-Jun; Ma, Hui-Chao; Xin, Wen-Ling; Li, Xiao-Bo; Jin, Fa-Zheng; Wang, Jing-Si; Liu, Ming-Yang; Dong, Yu-Bin","Dual Heterogeneous Catalyst Pd-Au@Mn(II)-MOF for One-Pot Tandem Synthesis of Imines from Alcohols and Amines.","Inorganic chemistry","2017","56","1","654","660","10.1021/acs.inorgchem.6b02592","","","1.54184","CuKα","","0.1208","0.076","","","0.2","0.2333","","","","","","1.043","","","","has coordinates,has disorder","191264","2020-10-21","18:00:00",""
"4345279","21.8537","0.0012","21.8537","0.0012","12.5914","0.0012","90","","90","","120","","5207.8","0.6","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C12 H32 B12 Br6 N Na -","- C12 H32 B12 Br6 N Na -","- C72 H192 B72 Br36 N6 Na6 -","6","1","","Bertocco, Philipp; Derendorf, Janis; Jenne, Carsten; Kirsch, Christoph","Improving the Solubility of Halogenated 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2017","56","6","3459","3466","10.1021/acs.inorgchem.6b03006","","x-ray","0.71073","MoKα","","0.1536","0.079","","","0.191","0.2289","","","","","","0.933","","","","has coordinates,has disorder","194822","2020-10-21","18:00:00",""
"4345633","14.0011","0.0001","14.0011","0.0001","8.3472","0.0002","90","","90","","120","","1417.08","0.04","295","","295","","","","","","","","","5","P -3","-P 3","147","Tmtrenovan","","","- C30 H33 N4 O6 Tm -","- C30 H33 N4 O6 Tm -","- C60 H66 N8 O12 Tm2 -","2","0.333333","","Lucaccini, Eva; Baldoví, José J; Chelazzi, Laura; Barra, Anne-Laure; Grepioni, Fabrizia; Costes, Jean-Pierre; Sorace, Lorenzo","Electronic Structure and Magnetic Anisotropy in Lanthanoid Single-Ion Magnets with C3 Symmetry: The Ln(trenovan) Series.","Inorganic chemistry","2017","56","8","4729","4739","10.1021/acs.inorgchem.7b00413","powder diffraction","","1.54175","CuKα","","","","","","","","","","1.95","","","","","","","has coordinates","196111","2020-10-21","18:00:00",""
"4345634","14.24","0.001","14.24","0.001","8.121","0.001","90","","90","","120","","1426.1","0.2","293","","293","","","","","","","","","5","P -3","-P 3","147","Gdtrenovan","","","- C30 H33 Gd N4 O6 -","- C30 H33 Gd N4 O6 -","- C60 H66 Gd2 N8 O12 -","2","0.333333","","Lucaccini, Eva; Baldoví, José J; Chelazzi, Laura; Barra, Anne-Laure; Grepioni, Fabrizia; Costes, Jean-Pierre; Sorace, Lorenzo","Electronic Structure and Magnetic Anisotropy in Lanthanoid Single-Ion Magnets with C3 Symmetry: The Ln(trenovan) Series.","Inorganic chemistry","2017","56","8","4729","4739","10.1021/acs.inorgchem.7b00413","powder diffraction","","1.54175","CuKα","","","","","","","","","","1.21","","","","","","","has coordinates","196111","2020-10-21","18:00:00",""
"4345777","14.456","0.001","14.456","0.001","7.887","0.001","90","","90","","120","","1427.4","0.2","293","","293","","","","","","","","","5","P -3","-P 3","147","Prtrenovan","","","- C30 H33 N4 O6 Pr -","- C30 H33 N4 O6 Pr -","- C60 H66 N8 O12 Pr2 -","2","0.333333","","Lucaccini, Eva; Baldoví, José J; Chelazzi, Laura; Barra, Anne-Laure; Grepioni, Fabrizia; Costes, Jean-Pierre; Sorace, Lorenzo","Electronic Structure and Magnetic Anisotropy in Lanthanoid Single-Ion Magnets with C3 Symmetry: The Ln(trenovan) Series.","Inorganic chemistry","2017","56","8","4729","4739","10.1021/acs.inorgchem.7b00413","powder diffraction","","1.54175","CuKα","","","","","","","","","","1.98","","","","","","","has coordinates","195960","2020-10-21","18:00:00",""
"4345794","14.7346","0.0003","14.7346","0.0003","12.1853","0.0003","90","","90","","120","","2291.1","0.09","100","","100","","","","","","","","","7","P -3","-P 3","147","","","","- C45 H55 B Cu N6 P S3 -","- C45 H55 B Cu N6 P S3 -","- C90 H110 B2 Cu2 N12 P2 S6 -","2","0.333333","","Lam, Tsz Lung; Tso, Ken Chi-Hang; Cao, Bei; Yang, Chen; Chen, Daqing; Chang, Xiao-Yong; Huang, Jie-Sheng; Che, Chi-Ming","Tripodal S-Ligand Complexes of Copper(I) as Catalysts for Alkene Aziridination, Sulfide Sulfimidation, and C-H Amination.","Inorganic chemistry","2017","56","8","4253","4257","10.1021/acs.inorgchem.7b00226","","x-ray","1.54178","CuKα","","0.1041","0.0948","","","0.2604","0.2678","","","","","","1.057","","","","has coordinates,has disorder","195972","2020-10-21","18:00:00",""
"4346527","10.875","0.003","10.875","0.003","21.431","0.006","90","","90","","120","","2195","1.1","173","2","173","2","","","","","","","","6","P -3","-P 3","147","4_NiVL","","","- C45 H66 N4 Ni P3 V -","- C45 H66 N4 Ni P3 V -","- C90 H132 N8 Ni2 P6 V2 -","2","0.333333","","Clouston, Laura J.; Bernales, Varinia; Cammarota, Ryan C.; Carlson, Rebecca K.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Heterobimetallic Complexes That Bond Vanadium to Iron, Cobalt, and Nickel.","Inorganic chemistry","2015","54","24","11669","11679","10.1021/acs.inorgchem.5b01631","","","0.71073","MoKα","","0.0804","0.0546","","","0.1319","0.1432","","","","","","1.057","","","","has coordinates","231823","2020-10-21","18:00:00",""
"4347291","21.5669","0.0005","21.5669","0.0005","7.7969","0.0002","90","","90","","120","","3140.71","0.13","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C96 H54 Cu3 F18 N6 O18 -","- C96 H54 Cu3 F18 N6 O18 -","- C96 H54 Cu3 F18 N6 O18 -","1","0.166667","","Chen, Gong-Jun; Wang, Jing-Si; Jin, Fa-Zheng; Liu, Ming-Yang; Zhao, Chao-Wei; Li, Yan-An; Dong, Yu-Bin","Pd@Cu(II)-MOF-Catalyzed Aerobic Oxidation of Benzylic Alcohols in Air with High Conversion and Selectivity.","Inorganic chemistry","2016","55","6","3058","3064","10.1021/acs.inorgchem.5b02973","","","1.54178","CuKα","","0.1044","0.0871","","","0.2745","0.2433","","","","","","1.19","","","","has coordinates","232247","2020-10-21","18:00:00",""
"4347465","19.103","0.0007","19.103","0.0007","8.1014","0.0003","90","","90","","120","","2560.32","0.16","150","2","150","2","","","","","","","","8","P -3","-P 3","147","","","","- C90 H103 Cu8 F6 Fe6 N12 P S12 -","- C90 H103 Cu8 F6 Fe6 N12 P S12 -","- C90 H103 Cu8 F6 Fe6 N12 P S12 -","1","0.166667","","Kishore, Pilli V. V. N.; Liao, Jian-Hong; Hou, Hsing-Nan; Lin, Yan-Ru; Liu, C. W.","Ferrocene-Functionalized Cu(I)/Ag(I) Dithiocarbamate Clusters.","Inorganic chemistry","2016","55","7","3663","3673","10.1021/acs.inorgchem.6b00201","","","0.71073","MoKα","","0.0725","0.0452","","","0.11","0.1237","","","","","","1.033","","","","has coordinates","232332","2020-10-21","18:00:00",""
"4348396","14.1344","0.0019","14.1344","0.0019","20.396","0.003","90","","90","","120","","3528.8","0.8","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C25 H17 Cd Cl N4 O4 -","- C25 H17 Cd Cl N4 O4 -","- C150 H102 Cd6 Cl6 N24 O24 -","6","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.056","0.0406","","","0.0926","0.0987","","","","","","1.026","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4500371","10.1186","0.0003","10.1186","0.0003","6.3488","0.0004","90","","90","","120","","562.94","0.04","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C9 H9 B N6 O3 -","- C9 H9 B N6 O3 -","- C18 H18 B2 N12 O6 -","2","0.333333","","Schubert, David M.; Natan, Daniel T.; Wilson, Duane C.; Hardcastle, Kenneth I.","Facile Synthesis and Structures of Cyclic Triimidazole and Its Boric Acid Adduct","Crystal Growth & Design","2011","11","3","843","850","10.1021/cg101489t","","","1.54178","CuKα","","0.0298","0.0284","","","0.0798","0.081","","","","","","1.102","","","","has coordinates","211066","2020-10-21","18:00:00",""
"4500934","27.3529","0.0013","27.3529","0.0013","12.2825","0.0005","90","","90","","120","","7958.4","0.6","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C120 H153 K3 N75 O64.5 U3 -","- C120 H147 K3 N75 O64.5 U3 -","- C240 H294 K6 N150 O129 U6 -","2","0.333333","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0606","0.0462","","","0.1161","0.1221","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502008","33.472","0.002","33.472","","12.6911","0.0008","90","","90","","120","","12313.8","1.1","296","2","296","2","","","","","","","","9","P -3","-P 3","147","","","","- C168 H437 Cu20 Mo48 N84 Na O266 P6 V36 -","- C168 H372 Cu20 Mo48 N84 Na O266 P6 V36 -","- C168 H372 Cu20 Mo48 N84 Na O266 P6 V36 -","1","0.166667","","Niu, Jingyang; Chen, Guo; Zhao, Junwei; Yu, Chunfa; Ma, Pengtao; Wang, Jingping","A Novel Ring-Shaped Phosphovanadomolybdate Built by Bicapped Pseudo-Keggin Clusters and Copper(II) Complexes","Crystal Growth & Design","2010","10","11","4689","","10.1021/cg100864m","","","0.71073","MoKα","","0.1517","0.0891","","","0.2062","0.2441","","","","","","1.019","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502405","9.4502","0.0009","9.4502","0.0009","6.3642","0.0011","90","","90","","120","","492.22","0.11","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C6 H10 N24 O2 Zn3 -","- C6 H9.96 N24 O2 Zn3 -","- C6 H9.96 N24 O2 Zn3 -","1","0.166667","","Zhong, Di-Chang; Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Three Coordination Polymers Based on 1H-Tetrazole (HTz) Generated via in Situ Decarboxylation: Synthesis, Structures, and Selective Gas Adsorption Properties","Crystal Growth & Design","2010","10","2","739","","10.1021/cg901128k","","","0.71073","MoKα","","0.0354","0.0278","","","0.0694","0.0742","","","","","","1.023","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4504500","20.9326","0.0018","20.9326","0.0018","14.6836","0.0017","90","","90","","120","","5572","0.9","91","2","91","2","","","","","","","","4","P -3","-P 3","147","C60.1.5H2F20TPP.6benzene","","","- C162 H51 F30 N6 -","- C162.12 H51 F30 N6 -","- C324.24 H102 F60 N12 -","2","0.333333","","Olmstead, Marilyn M.; Nurco, Daniel J.","Fluorinated Tetraphenylporphyrins as Cocrystallizing Agents for C60and C70","Crystal Growth & Design","2006","6","1","109","","10.1021/cg050225r","","","0.71073","MoKα","","0.0663","0.0512","","","0.127","0.1396","","","","","","1.031","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504586","20.9965","0.0004","20.9965","0.0004","14.7377","0.0006","90","","90","","120","","5626.7","0.3","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C168 H63 F30 N6 -","- C167.4 H63 F30 N6 -","- C334.8 H126 F60 N12 -","2","0.333333","","Hosseini, Ali; Hodgson, Michael C.; Tham, Fook S.; Reed, Christopher A.; Boyd, Peter D. W.","Tapes, Sheets, and Prisms. Identification of the Weak C−F Interactions that Steer Fullerene−Porphyrin Cocrystallization","Crystal Growth & Design","2006","6","2","397","","10.1021/cg050352n","","","0.71073","MoKα","","0.0811","0.0611","","","0.1694","0.1895","","","","","","1.075","","","","has coordinates,has disorder","179580","2020-10-21","18:00:00",""
"4504856","8.2881","0.0019","8.2881","0.0019","10.566","0.003","90","","90","","120","","628.6","0.3","150","2","150","2","","","","","","","'hydrothermal synthesis at 180 deg C for 3 days'","6","P -3","-P 3","147","en-pillared layered zinc hydroxysulphate","","","- C H16 N O13 S Zn4 -","- C0.99 H9.96 N O12.97 S Zn4 -","- C1.98 H19.92 N2 O25.94 S2 Zn8 -","2","0.333333","","Rujiwatra, Apinpus; Mander, Gavin J.; Kepert, Cameron J.; Rosseinsky, Matthew J.","Synthesis and Characterization of Subcell−Supercell Related Ethylenediamine-Pillared Zinc Hydroxysulfates","Crystal Growth & Design","2005","5","1","183","","10.1021/cg034242x","","","0.6941","Synchrotron","","0.0549","0.0463","","","0.1152","0.1188","","","","","","1.08","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504857","21.926","0.002","21.926","0.002","10.5643","0.0009","90","","90","","120","","4398.4","0.7","150","2","150","2","","","","","","","'hydrothermal synthesis at 180 deg C for 3 days'","6","P -3","-P 3","147","","","","- C7 H106 N7 O88 S7 Zn28 -","- C6.99 H69.96 N6.99 O88 S7 Zn28 -","- C13.98 H139.92 N13.98 O176 S14 Zn56 -","2","0.333333","","Rujiwatra, Apinpus; Mander, Gavin J.; Kepert, Cameron J.; Rosseinsky, Matthew J.","Synthesis and Characterization of Subcell−Supercell Related Ethylenediamine-Pillared Zinc Hydroxysulfates","Crystal Growth & Design","2005","5","1","183","","10.1021/cg034242x","","","0.6923","Synchrotron","","0.0957","0.0481","","","0.1369","0.1555","","","","","","0.882","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504859","13.7913","0.0013","13.7913","0.0013","11.728","0.002","90","","90","","120","","1931.8","0.4","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C78 H72 Br2 Li2 O6 P6 -","- C78 H72 Br2 Li2 O6 P6 -","- C78 H72 Br2 Li2 O6 P6 -","1","0.166667","","Liu, Xi; Guo,; Liu, Bin; Chen, Wen-Tong; Huang, Jin-Shun","A Novel 2-D Honeycomb-like Lithium Coordination Polymer Containing 42-Membered Rings","Crystal Growth & Design","2005","5","3","841","","10.1021/cg049570r","","","0.71073","MoKα","","0.0907","0.0554","","","0.1254","0.1413","","","","","","1.003","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4507487","17.0971","0.0003","17.0971","0.0003","13.6304","0.0005","90","","90","","120","","3450.52","0.15","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C48 H24 Cd3 N6 O25 -","- C48 H24 Cd3 N6 O24.99 -","- C96 H48 Cd6 N12 O49.98 -","2","0.333333","","Han, Liqin; Yan, Yan; Sun, Fuxing; Cai, Kun; Borjigin, Tsolmon; Zhao, Xiaojun; Qu, Fengyu; Zhu, Guangshan","Single- and Double-Layer Structures and Sorption Properties of Two Microporous Metal‒Organic Frameworks with Flexible Tritopic Ligand","Crystal Growth & Design","2013","13","4","1458","","10.1021/cg301559s","","","0.71073","MoKα","","0.0931","0.0886","","","0.2507","0.2591","","","","","","1.038","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507531","19.0758","0.0019","19.0758","0.0019","11.429","0.002","90","","90","","120","","3601.7","0.8","298","2","298","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C144 H96 N24 O24 Zn6 -","6","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.098","0.0894","","","0.2307","0.2354","","","","","","1.084","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507667","16","0.002","16","0.002","7.5","0.0015","90","","90","","120","","1662.8","0.4","293","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C16 H21 Mg2 N3 O10 -","- C16 H16 Mg2 N3 O10 -","- C48 H48 Mg6 N9 O30 -","3","0.5","","Han, Lei; Qin, Lan; Yan, Xiao-Zhi; Xu, Lan-Ping; Sun, Junliang; Yu, Lei; Chen, Hong-Bing; Zou, Xiaodong","Two Isomeric Magnesium Metal‒Organic Frameworks with [24-MC-6] Metallacrown Cluster","Crystal Growth & Design","2013","13","5","1807","","10.1021/cg4000318","","","0.9077","synchrotron","","0.0535","0.0509","","","0.1404","0.1423","","","","","","1.071","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507795","19.275","0.003","19.275","0.003","13.123","0.003","90","","90","","120","","4222.3","1.3","123","2","123","2","","","","","","","","7","P -3","-P 3","147","","","","- C27 H32 Cu3 I4 K N4 O8 -","- C27 H32 Cu3.00667 I3.99333 K N4 O8 -","- C81 H96 Cu9.02 I11.98 K3 N12 O24 -","3","0.5","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.710698","synchrotron","","0.0813","0.0713","","","0.2373","0.2487","","","","","","1.063","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4509692","22.7883","0.0016","22.7883","0.0016","9.3807","0.0014","90","","90","","120","","4218.8","0.8","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C72 H108 As18 Cu9 Mo18 N48 O96 -","- C72 H96 As18 Cu9 Mo18 N48 O96 -","- C72 H96 As18 Cu9 Mo18 N48 O96 -","1","0.166667","","Li, Lili; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu","Three Hybrid Organic−Inorganic Assemblies Based on Different Arsenatomolybdates and CuII−Organic Units","Crystal Growth & Design","2009","9","12","5206","","10.1021/cg9006718","","","0.71073","MoKα","","0.0638","0.0383","","","0.0866","0.0928","","","","","","0.96","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4509874","13.403","0.003","13.403","0.003","8.6697","0.0017","90","","90","","120","","1348.8","0.5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H60 Cl2 Mn N20 O6 -","- C48 H60 Cl2 Mn N20 O6 -","- C48 H60 Cl2 Mn N20 O6 -","1","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0647","0.0429","","","0.1194","0.1451","","","","","","0.841","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509875","13.4","0.01","13.4","0.01","8.73","0.006","90","","90","","120","","1357.5","1.7","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H60 Cl2 Co N20 O6 -","- C48 H60 Cl2 Co N20 O6 -","- C48 H60 Cl2 Co N20 O6 -","1","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.1088","0.0518","","","0.1069","0.1261","","","","","","1.11","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4510338","30.4643","0.0006","30.4643","0.0006","10.0841","0.0004","90","","90","","120","","8104.9","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C240 H180 Cd17 Cl4 N24 O87 -","- C240.108 H144 Cd17 Cl4 N24 O87.162 -","- C240.108 H144 Cd17 Cl4 N24 O87.162 -","1","0.166667","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Three Porphyrin-Encapsulating Metal‒Organic Materials with Ordered Metalloporphyrin Moieties","Crystal Growth & Design","2014","14","4","1526","","10.1021/cg500192d","","","1.54178","CuKα","","0.1123","0.0863","","","0.2568","0.2811","","","","","","1.022","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510559","12.8725","0.0014","12.8725","0.0014","13.6616","0.0019","90","","90","","120","","1960.5","0.4","298","2","298","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H80 Cl9 N8 Na O50 -","- C48 H80 Cl9 N8 Na O50 -","- C48 H80 Cl9 N8 Na O50 -","1","0.166667","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion‒Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate‒Water Tetramer [(SO4)2‒(H2O)2]4‒","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.1434","0.1043","","","0.3177","0.3762","","","","","","1.207","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4511150","10.894","0.002","10.894","0.002","8.4503","0.0016","90","","90","","120","","868.5","0.3","153","2","153","2","","","","","","","","6","P -3","-P 3","147","","","","- C24 H36 B2 F8 N18 Zn -","- C24 H36 B2 F8 N18 Zn -","- C24 H36 B2 F8 N18 Zn -","1","0.166667","","Liu, Xun-Gao; Wang, Li-Yan; Zhu, Xia; Li, Bao-Long; Zhang, Yong","Structural Versatility of Eight Zinc(II) Coordination Polymers Constructed with a Long Flexible Ligand 1,4-Bis(1,2,4-triazol-1-yl)butane","Crystal Growth & Design","2009","9","9","3997","","10.1021/cg900134f","","","0.71073","MoKα","","0.0435","0.0421","","","0.1024","0.1032","","","","","","1.083","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4513429","22.6558","0.0014","22.6558","0.0014","6.4981","0.0005","90","","90","","120","","2888.5","0.3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C10 H17 N3 O10 U -","- C10 H17 N3 O10 U -","- C60 H102 N18 O60 U6 -","6","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0202","0.018","","","0.0413","0.0421","","","","","","1.101","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4513433","22.5295","0.0008","22.5295","0.0008","6.5451","0.0002","90","","90","","120","","2877.07","0.17","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C11.33 H20 N3 O10.33 U -","- C11.3333 H20 N3 O10.3333 U -","- C68 H120 N18 O62 U6 -","6","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0275","0.0233","","","0.0713","0.081","","","","","","1.137","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4514759","24.679","0.002","24.679","0.002","9.5417","0.0008","90","","90","","120","","5032.8","0.7","100","","100","","","","","","","","","4","P -3","-P 3","147","","","","- C18 H16 Br2 O2 -","- C18 H16 Br2 O2 -","- C216 H192 Br24 O24 -","12","2","","Trost, Barry M.; Tracy, Jacob S.","Vanadium-Catalyzed Synthesis of Geometrically Defined Acyclic Tri- and Tetrasubstituted Olefins from Propargyl Alcohols","ACS Catalysis","2019","9","2","1584","","10.1021/acscatal.8b04567","","x-ray","0.71073","MoKα","","0.0776","0.0451","","","0.069","0.0788","","","","","","1.027","","","","has coordinates","219919","2020-10-21","18:00:00",""
"4515026","50.994","0.007","50.994","0.007","12.034","0.002","90","","90","","120","","27101","7","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C174 H258 B9 N9 -","- C116.5 H120 B9 N9 -","- C699 H720 B54 N54 -","6","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.1454","0.1044","","","0.251","0.2857","","","","","","1.016","","","","has coordinates,has disorder","220160","2020-10-21","18:00:00",""
"4517856","12.9952","0.0018","12.9952","0.0018","10.177","0.002","90","","90","","120","","1488.4","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C1.77 H3.53 N0.22 Na0.45 O8.34 Si4 -","- C1.768 H3.536 N0.221 Na0.446 O8.344 Si4 -","- C10.608 H21.216 N1.326 Na2.676 O50.064 Si24 -","6","1","","Lee, Hwajun; Choi, Wanuk; Choi, Hyun June; Hong, Suk Bong","PST-33: A Four-Layer ABC-6 Zeolite with the Stacking Sequence AABC","ACS Materials Letters","2020","2","8","981","985","10.1021/acsmaterialslett.0c00232","","","0.7","","","0.1202","0.1026","","","0.2975","0.3185","","","","","","1.074","","","","has coordinates,has disorder","257087","2020-10-21","18:00:00",""
"5910041","2.99","","2.99","","4.72","","90","","90","","90","","42.197","","","","","","","","","","","","","2","P -3","","147","","","","- C W2 -","- C W4 -","- C W4 -","","","","Wyckoff, R. W. G.","Page 239 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & www.mse.berkeley.edu/classes/matsci102/W2C.pdf","The second edition of Structure of Crystals","1931","","","239","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910086","15.566","0.001","15.566","0.001","3.746","0.001","90","","90","","120","","786.1","0.2","","","","","","","","","","","","3","P -3","-P 3","147","","Potassium Tetratungstate","","- K2 O13 W4 -","- K1.99993 O13 W4 -","- K5.9998 O39 W12 -","3","0.5","","Okada, K.; Marumo, F.; Iwai, S. I.","The crystal structure of K2 W4 O13","Acta Crystallographica B (24,1968-38,1982)","1978","34","11","3193","3195","10.1107/S0567740878014739","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000152","9.1075","","9.1075","","17.0017","","90","","90","","120","","1221.3","","","","","","","","","","","","","0","P -3","","","","","","?","","","","","","Nägele, A.; Anokhina, E.; Sitar, J.; Meyer, H. J.; Lachgar, A.","Synthesis and crystal structures of ATi[Nb~6~Cl~18~] compounds (A = K, Rb, Cs, In, Tl)","Zeitschrift für Naturforschung B","2000","55","2","139","144","10.1515/znb-2000-0202","","","","","","","","","","","","","","","","","","","","","","174975","2020-10-21","18:00:00",""
"6000183","7.2514","","7.2514","","7.3413","","90","","90","","120","","334.31","","","","","","","","","","","","","7","P -3","","","","","","- C3 H16 F3 Ga3 N2 O9 P2 -","","","","","","Paulet, C.; Serre, C.; Loiseau, T.; Riou, D.; Ferey, G.","Hybrid open-frameworks (MIL-n): Syntheses and structures of 2-dimensional gallium methylphosphonates (MIL-23) and 3-dimensional copper vanadium methyldiphosphonate (MIL-24)","Comptes Rendus de l'Academie des Sciences, Serie IIc: Chimie","1999","2","","631","636","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000307","4.0139","","4.0139","","9.5423","","90","","90","","120","","133.15","","","","","","","","","","","","","4","P -3","","","","","","- Bi2.34 La0.33 O5.33 U -","","","","","","Amarilla, J. M.; Alonso, J. A.; Rojas, R. M.","Structural study of the trigonal Bi2.34U0.33La0.33O5 oxide ion conductor: Rietveld refinement of X-ray and neutron powder diffraction data","Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999)","1999","","","1137","1141","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000608","9.6641","","9.6641","","7.1825","","90","","90","","120","","580.94","","","","","","","","","","","","","8","P -3","","","","","","- Ce0.5 F0.5 H0.5 La0.5 Na O12.5 P3 Sr3 -","","","","","","Kabalov, Y.; Sokolova, E.","Discovery of new minerals zlatogorite, turkestanite and belovite-(La) by Rietveld refinement from X-ray powder diffraction data","Epdic 5","1998","278","2","785","790","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000983","17.5191","0.0015","17.5191","0.0015","12.0541","0.0017","90","","90","","120","","3204","0.6","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C42 H44 Fe3 N9 O24 -","- C42 H42 Fe3 N9 O24 -","- C84 H84 Fe6 N18 O48 -","2","0.333333","","Zhang, Qing-Fu; Jiang, Fei-Long; Huang, You-Gui; Wei, Wei; Gao, Qiang; Yang, Ming; Xiong, Ke-Cai; Hong, Mao-Chun","An interwoven Fe3L3 trigonal metallamacrocycle from an in situ ligand hydrolysis reaction","Dalton Transactions","2009","","15","2673","2676","10.1039/b817929h","","","0.71073","MoKα","","0.0785","0.0572","","","0.1359","0.1451","","","","","","1.029","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7000988","13.794","0.002","13.794","0.002","12.613","0.003","90","","90","","120","","2078.4","0.7","113","2","113","2","","","","","","","","6","P -3","-P 3","147","","","","- C74 H64 B12 Cl16 N2 P4 -","- C73.26 H63.36 B12 Cl15.96 N2 P3.96 -","- C73.26 H63.36 B12 Cl15.96 N2 P3.96 -","1","0.166667","","Geis, Vanessa; Guttsche, Kristin; Knapp, Carsten; Scherer, Harald; Uzun, Rabiya","Synthesis and characterization of synthetically useful salts of the weakly-coordinating dianion [B12Cl12]2−","Dalton Transactions","2009","","15","2687","2694","10.1039/b821030f","","","0.71073","MoKα","","0.0487","0.0355","","","0.076","0.0812","","","","","","1.03","","","","has coordinates,has disorder","179687","2020-10-21","18:00:00",""
"7001313","7.29667","0.00005","7.29667","","6.02603","0.00005","90","","90","","120","","277.851","0.003","293","","293","","","","","","","","","4","P -3","-P 3","147","Tristrontium oxonitridophosphate","Tristrontium oxonitridophosphate","","- N8 O6 P6 Sr3 -","- N8 O6 P6 Sr3 -","- N8 O6 P6 Sr3 -","1","0.166667","","Sedlmaier, Stefan J.; Schmedt auf der Günne, Jörn; Schnick, Wolfgang","Sr3P6O6N8—a highly condensed layered phosphate","Dalton Transactions","2009","","21","4081","4084","10.1039/b905136h","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.02294","","1.22","","","","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001611","14.1511","0.0005","14.1511","0.0005","11.1513","0.0008","90","","90","","120","","1933.91","0.17","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C30 H36 Cl Mn3 N6 Na O19 -","- C30 H36 Cl Mn3 N6 Na O19 -","- C60 H72 Cl2 Mn6 N12 Na2 O38 -","2","0.333333","","Chen, Zilu; Li, Yan; Jiang, Chunfang; Liang, Fupei; Song, You","Metal complexes with N-(2-pyridylmethyl)iminodiacetate: from discrete polynuclear compounds to 1D coordination polymers","Dalton Transactions","2009","","27","5290","5299","10.1039/b902674f","","","0.71073","MoKα","","0.0512","0.0435","","","0.0958","0.0999","","","","","","1.115","","","","has coordinates","179714","2020-10-21","18:00:00",""
"7001612","14.0737","0.0004","14.0737","0.0004","11.1831","0.0007","90","","90","","120","","1918.27","0.14","295","2","295","2","","","","","","","","7","P -3","-P 3","147","","","","- C30 H38 Cl Co3 N6 Na O20 -","- C30 H36 Cl Co3 N6 Na O20 -","- C60 H72 Cl2 Co6 N12 Na2 O40 -","2","0.333333","","Chen, Zilu; Li, Yan; Jiang, Chunfang; Liang, Fupei; Song, You","Metal complexes with N-(2-pyridylmethyl)iminodiacetate: from discrete polynuclear compounds to 1D coordination polymers","Dalton Transactions","2009","","27","5290","5299","10.1039/b902674f","","","0.71073","MoKα","","0.0562","0.0499","","","0.099","0.1024","","","","","","1.178","","","","has coordinates","179714","2020-10-21","18:00:00",""
"7002639","15.9022","0.001","15.9022","0.001","10.5328","0.0008","90","","90","","120","","2306.7","0.3","150","","150","","","","","","","","Stephanie Taylor ST14","6","P -3","-P 3","147","","","","- C46 H52 Cl Mn3 N6 O12 -","- C42 H42 Cl Mn3 N6 O11 -","- C84 H84 Cl2 Mn6 N12 O22 -","2","0.333333","","Inglis, Ross; Taylor, Stephanie M.; Jones, Leigh F.; Papaefstathiou, Giannis S.; Perlepes, Spyros P.; Datta, Saiti; Hill, Stephen; Wernsdorfer, Wolfgang; Brechin, Euan K.","Twisting, bending, stretching: strategies for making ferromagnetic [MnIII3] triangles","Dalton Transactions","2009","","42","9157","","10.1039/b911820a","","","0.71073","MoKα","","0.054","0.0528","","0.1272","0.1263","0.1272","","","","","","1.1277","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7004758","22.274","0.0012","22.274","0.0012","13.883","0.0011","90","","90","","120","","5965","0.7","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C116 H116 Cl6 N8 S12 Sn3 -","- C116 H116 Cl6 N8 S12 Sn3 -","- C232 H232 Cl12 N16 S24 Sn6 -","2","0.333333","","Reyes-Martínez, Reyna; García, Patricia García y; López-Cardoso, Marcela; Höpfl, Herbert; Tlahuext, Hugo","Self-assembly of diphenyltin(iv) and tris-dithiocarbamate ligands to racemic trinuclear cavitands and capsules","Dalton Transactions","2008","","46","6624","6627","10.1039/b811768n","","","0.71073","MoKα","","0.0682","0.0531","","","0.1241","0.1316","","","","","","1.063","","","","has coordinates,has disorder","179751","2020-10-21","18:00:00",""
"7004878","10.4913","0.0015","10.4913","0.0015","5.4814","0.0011","90","","90","","120","","522.49","0.15","295","2","295","2","","","","","","","","6","P -3","-P 3","147","","","","- C12 H24 Cl2 Cu O10 S4 -","- C12 H24 Cl2 Cu O9.98 S4.02 -","- C12 H24 Cl2 Cu O9.98 S4.02 -","1","0.166667","","Chaka, Gezahegn; Kandegedara, Ashoka; Heeg, Mary Jane; Rorabacher, D. B.","Comparative study of donor atom effects on the thermodynamic and electron-transfer kinetic properties of copper(II/I) complexes with sexadentate macrocyclic ligands. [CuII/I([18]aneS4N2)] and [CuII/I([18]aneS4O2)].","Dalton transactions (Cambridge, England : 2003)","2007","","4","449","458","10.1039/b612252c","","","0.71073","MoKα","","0.0421","0.0336","","","0.0678","0.0703","","","","","","1.085","","","","has coordinates,has disorder","179752","2020-10-21","18:00:00",""
"7005711","13.389","0.002","13.389","0.002","9.174","0.003","90","","90","","120","","1424.2","0.6","296","2","296","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 Cl3 Fe K N10 O12 -","- C18 H24 Cl3 Fe K N10 O12 -","- C36 H48 Cl6 Fe2 K2 N20 O24 -","2","0.333333","","Brewer, Greg; Butcher, Ray J.; Viragh, Carol; White, Genevieve","Supramolecular assemblies prepared from an iron(ii) tripodal imidazole complex. A molecular scaffolding for the self assembly of icosahedral complexes of K+, Rb+, Cs+ and NH4+ cations","Dalton Transactions","2007","","37","4132","","10.1039/b704823h","","","0.71073","MoKα","","0.0266","0.0245","","","0.0672","0.0689","","","","","","1.057","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7005712","13.4744","0.0008","13.4744","0.0008","9.3487","0.0011","90","","90","","120","","1469.9","0.2","173","2","173","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 Cl3 Fe N10 O12 Rb -","- C18 H24 Cl3 Fe N10 O12 Rb -","- C36 H48 Cl6 Fe2 N20 O24 Rb2 -","2","0.333333","","Brewer, Greg; Butcher, Ray J.; Viragh, Carol; White, Genevieve","Supramolecular assemblies prepared from an iron(ii) tripodal imidazole complex. A molecular scaffolding for the self assembly of icosahedral complexes of K+, Rb+, Cs+ and NH4+ cations","Dalton Transactions","2007","","37","4132","","10.1039/b704823h","","","0.71073","MoKα","","0.0292","0.0233","","","0.0571","0.0595","","","","","","1.039","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7005714","13.5873","0.0004","13.5873","0.0004","9.3764","0.0006","90","","90","","120","","1499.11","0.11","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C18 H28 Cl3 Fe N11 O12 -","- C18 H28 Cl3 Fe N11 O12 -","- C36 H56 Cl6 Fe2 N22 O24 -","2","0.333333","","Brewer, Greg; Butcher, Ray J.; Viragh, Carol; White, Genevieve","Supramolecular assemblies prepared from an iron(II) tripodal imidazole complex. A molecular scaffolding for the self assembly of icosahedral complexes of K+, Rb+, Cs+ and NH4+ cations","Dalton Transactions","2007","","37","4132","","10.1039/b704823h","","","0.71073","MoKα","","0.0362","0.0333","","","0.0967","0.0999","","","","","","1.044","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7005715","13.5022","0.0013","13.5022","0.0013","9.5419","0.0013","90","","90","","120","","1506.5","0.3","173","2","173","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 Cl3 Cs Fe N10 O12 -","- C18 H24 Cl3 Cs Fe N10 O12 -","- C36 H48 Cl6 Cs2 Fe2 N20 O24 -","2","0.333333","","Brewer, Greg; Butcher, Ray J.; Viragh, Carol; White, Genevieve","Supramolecular assemblies prepared from an iron(ii) tripodal imidazole complex. A molecular scaffolding for the self assembly of icosahedral complexes of K+, Rb+, Cs+ and NH4+ cations","Dalton Transactions","2007","","37","4132","","10.1039/b704823h","","","0.71073","MoKα","","0.0523","0.0381","","","0.0989","0.1015","","","","","","1.128","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7005716","13.4838","0.0004","13.4838","0.0004","9.352","0.0006","90","","90","","120","","1472.52","0.11","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C18 H28 Cl3 Fe N11 O12 -","- C18 H28.02 Cl3 Fe N11 O12 -","- C36 H56.04 Cl6 Fe2 N22 O24 -","2","0.333333","","Brewer, Greg; Butcher, Ray J.; Viragh, Carol; White, Genevieve","Supramolecular assemblies prepared from an iron(ii) tripodal imidazole complex. A molecular scaffolding for the self assembly of icosahedral complexes of K+, Rb+, Cs+ and NH4+ cations","Dalton Transactions","2007","","37","4132","","10.1039/b704823h","","","0.71073","MoKα","","0.03","0.027","","","0.0742","0.0761","","","","","","1.069","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7005881","16.7532","0.0016","16.7532","0.0016","23.629","0.003","90","","90","","120","","5743.4","1.1","193","2","193","2","","","","","","","","6","P -3","-P 3","147","6,Zn3OH35","","","- C79 H118 Cl3 N9 O21 Zn3 -","- C70 H100 Cl3.01 N9 O18.01 Zn3 -","- C140 H200 Cl6.02 N18 O36.02 Zn6 -","2","0.333333","","Mitra, Ranjan; Peters, Matthew W.; Scott, Michael J.","Synthesis and reactivity of a C3-symmetric trinuclear zinc(II) hydroxide catalyst efficient at phosphate diester transesterification.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3924","3935","10.1039/b706386e","","","0.71073","MoKα","","0.1436","0.0849","","","0.2357","0.2616","","","","","","0.945","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7007507","18.638","0.0005","18.638","0.0005","11.5817","0.0006","90","","90","","120","","3484.2","0.2","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C66 H84 Cu3 N4 O12 -","- C66 H84 Cu3 N4 O12 -","- C132 H168 Cu6 N8 O24 -","2","0.333333","","Clegg, Jack K.; Gloe, Karsten; Hayter, Michael J.; Kataeva, Olga; Lindoy, Leonard F.; Moubaraki, Boujemaa; McMurtrie, John C.; Murray, Keith S.; Schilter, David","New discrete and polymeric supramolecular architectures derived from dinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","33","3977","3984","10.1039/b606523f","","","0.71073","MoKα","","0.056","0.0451","","","0.1632","0.1707","","","","","","1.236","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7008448","11.364","0.003","11.364","0.003","11.951","0.003","90","","90","","120","","1336.6","0.6","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C27 H20 B N9 O3.5 Re -","- C27 H19 B N9 O3.5 Re -","- C54 H38 B2 N18 O7 Re2 -","2","0.333333","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.0381","0.0272","","","0.0617","0.0644","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008689","13.7388","0.0006","13.7388","0.0006","12.8691","0.0011","90","","90","","120","","2103.7","0.2","213","2","213","2","","","","","","","","8","P -3","-P 3","147","","","","- C39 H51 Ag B N6 O P S3 -","- C39 H49 Ag B N6 O P S3 -","- C78 H98 Ag2 B2 N12 O2 P2 S6 -","2","0.333333","","Patel, Denish V.; Mihalcik, David J.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Kassel, W. Scott; Rheingold, Arnold L.; Rabinovich, Daniel","Tris(mercaptoimidazolyl)borate complexes of the coinage metals: syntheses and molecular structures of the first gold compounds and related copper and silver derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2410","2416","10.1039/b506046j","","","0.71073","MoKα","","0.0535","0.0489","","","0.1373","0.1403","","","","","","1.141","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7011117","9.004","0.005","9.004","0.005","18.119","0.012","90","","90","","120","","1272.1","1.3","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C30 H68 Cl2 Mn2 N8 Na4 O25 -","- C30 H68.04 Cl2 Mn2 N8 Na4 O25 -","- C30 H68.04 Cl2 Mn2 N8 Na4 O25 -","1","0.166667","","Dan M. J. Doble; Alexander J. Blake; Wan-Sheung Li; Martin Schröder","Na±Mediated aggregation of imino-carboxylate transition metal complexes","J. Chem. Soc., Dalton Trans.","2001","","21","3137","3139","10.1039/b107873a","","","0.71073","MoKα","","0.0403","0.0345","","","0.0879","0.0935","","","","","","1.084","","","","has coordinates,has disorder","179815","2020-10-21","18:00:00",""
"7012535","14.0697","0.0009","14.0697","0.0009","14.7342","0.0011","90","","90","","120","","2526","0.3","293","2","293","2","","","","","","","","8","P -3","-P 3","147","","","","- C42 H42 Au Cl N3 O4 P3 S3 -","- C43 H42 Au Cl N3 O4 P3 S3 -","- C86 H84 Au2 Cl2 N6 O8 P6 S6 -","2","0.333333","","Crespo, Olga; Fernández, Eduardo J.; Jones, Peter G.; Laguna, Antonio; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pérez, Javier","Coordination modes of diphenylphosphinothioformamide in its neutral and deprotonated forms at gold(i)","Dalton Transactions","2003","","6","1076","","10.1039/b211865c","","","0.71073","MoKα","","0.041","0.0318","","","0.0875","0.0901","","","","","","1.011","","","","has coordinates","179829","2020-10-21","18:00:00",""
"7013914","10.636","0.002","10.636","0.002","17.934","0.007","90","","90","","120","","1757","0.8","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C49 H55 Cd Cl5 O14 S6 -","- C49 H55 Cd Cl5 O14 S6 -","- C49 H55 Cd Cl5 O14 S6 -","1","0.166667","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua","Novel Cd(II) coordination polymers with flexible disulfoxide ligands: effects of ligand spacers, terminal groups and counter anions on the complex framework formations.","Dalton transactions (Cambridge, England : 2003)","2004","","5","813","819","10.1039/b316441a","","","0.71073","MoKα","","0.0955","0.0917","","","0.2312","0.2329","","","","","","1.139","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7014214","10.3804","0.0011","10.3804","0.0011","16.099","0.003","90","","90","","120","","1502.3","0.4","180","2","180","2","","","","","","","","6","P -3","-P 3","147","","","","- C18 H16 Ag B F4 N6 -","- C18 H16 Ag B F3.98667 N6 -","- C54 H48 Ag3 B3 F11.96 N18 -","3","0.5","","Pascu, Mirela; Tuna, Floriana; Kolodziejczyk, Edyta; Pascu, Gabriel I.; Clarkson, Guy; Hannon, Michael J.","Binding sites on the outside of metallo-supramolecular architectures; engineering coordination polymers from discrete architectures.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1546","1555","10.1039/b403749a","","","0.71073","MoKα","","0.1248","0.0561","","","0.0867","0.1048","","","","","","1.006","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7015091","9.42","0.002","9.42","0.002","10.242","0.004","90","","90","","120","","787.1","0.4","120","2","120","2","","","","","","","","5","P -3","-P 3","147","Catena(octadecahydroxo-trioxalato-(mu -piperazine)-dodeca- cobalt(ii))","Catena(octadecahydroxo-trioxalato-(μ -piperazine)-dodeca- cobalt(II))","","- C5 H14 Co6 N O15 -","- C4.9998 H13.9995 Co6 N O15 -","- C9.9996 H27.999 Co12 N2 O30 -","2","0.333333","","Keene, Tony D.; Light, Mark E.; Hursthouse, Michael B.; Price, Daniel J.","Structure and magnetism of new hybrid cobalt hydroxide materials built from decorated brucite layers.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2983","2994","10.1039/c0dt01007c","","","0.71073","MoKα","","0.2156","0.1209","","","0.2786","0.3334","","","","","","1.048","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7016370","18.443","0.004","18.443","0.004","12.82","0.003","90","","90","","120","","3776.4","1.5","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C90 H54 F12 N12 O6 P2 Ru -","- C90 H54 F11 N12 O6 P1.5 Ru -","- C180 H108 F22 N24 O12 P3 Ru2 -","2","0.333333","","Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8206","8212","10.1039/c1dt10340g","","","0.71073","MoKα","","0.1091","0.0625","","","0.1732","0.1925","","","","","","0.951","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7016935","19.5096","0.0009","19.5096","0.0009","12.402","0.0011","90","","90","","120","","4088.1","0.5","173","1","173","1","","","","","","","","5","P -3","-P 3","147","","","","- C26 H40 N2 O4 Ti -","- C26 H40 N2 O4 Ti -","- C156 H240 N12 O24 Ti6 -","6","1","","Meker, Sigalit; Manna, Cesar M.; Peri, Dani; Tshuva, Edit Y.","Major impact of N-methylation on cytotoxicity and hydrolysis of salan Ti(IV) complexes: sterics and electronics are intertwined.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9802","9809","10.1039/c1dt11108f","","","0.71073","MoKα","","0.1013","0.0973","","","0.2425","0.2456","","","","","","1.246","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7018215","10.952","0.003","10.952","0.003","13.883","0.004","90","","90","","120","","1442.1","0.7","120","2","120","2","","","","","","","","7","P -3","-P 3","147","","","","- C55 H54 B2 Br2 N18 O Zn2 -","- C55 H54 B2 Br2 N18 O Zn2 -","- C55 H54 B2 Br2 N18 O Zn2 -","1","0.166667","","Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A.","Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2774","2787","10.1039/c2dt12029a","","","0.71073","MoKα","","0.0316","0.0274","","","0.0696","0.0722","","","","","","1.058","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7020870","20.0897","0.0002","20.0897","0.0002","14.0486","0.0002","90","","90","","120","","4910.33","0.1","123","1","123","1","","","","","","","see text","5","P -3","-P 3","147","","","","- C119 H117 Mn4 S4 Si4 -","- C114 H105 Mn4 S4 Si4 -","- C228 H210 Mn8 S8 Si8 -","2","0.333333","","Smith, Charlene A.; Tuna, Floriana; Bodensteiner, Michael; Helliwell, Madeleine; Collison, David; Layfield, Richard A.","Exchange-coupled oxygen- and sulfur-bridged cyclopentadienyl-manganese(II) cages.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","71","74","10.1039/c2dt32262e","","x-ray","1.54178","CuKα","","0.0423","0.0409","","","0.1094","0.1106","","","","","","1.033","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7021743","15.4166","0.0007","15.4166","0.0007","11.4883","0.0006","90","","90","","120","","2364.6","0.2","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C96 H104 B2 Cu2 N12 P2 S6 -","- C96 H104 B2 Cu2 N12 P2 S6 -","- C96 H104 B2 Cu2 N12 P2 S6 -","1","0.166667","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of bis and tris(2-mercapto-1-methylbenzimidazolyl)hydroborato complexes: benzannulation promotes κ(3)-coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11117","11127","10.1039/c3dt51092a","","","0.71073","MoKα","","0.0447","0.0321","","","0.0804","0.089","","","","","","1.051","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021938","20.012","0.0006","20.012","0.0006","8.1348","0.0002","90","","90","","120","","2821.36","0.14","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","","","- C40.67 H53.33 Li2 N4 Ni O4 -","- C40.76 H48 Li2 N4 Ni O4 -","- C122.28 H144 Li6 N12 Ni3 O12 -","3","0.5","","Stokes, Francesca A.; Vincent, Mark A.; Hillier, Ian H.; Ronson, Tanya K.; Steiner, Alexander; Wheatley, Andrew E. H.; Wood, Paul T.; Wright, Dominic S.","Reactions of Cp2M (M = Ni, V) with dilithium diamido-aryl reagents; retention and oxidation of the transition metal ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13923","13930","10.1039/c3dt51632f","","","0.7107","MoKα","","0.0652","0.0431","","","0.1098","0.1135","","","","","","1.029","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7022005","12.673","0.002","12.673","0.002","18.424","0.003","90","","90","","120","","2562.6","0.7","293","2","293","2","","","","","","","","4","P -3","-P 3","147","","","","- C54 H69 N6 Sm -","- C54 H69 N6 Sm -","- C108 H138 N12 Sm2 -","2","0.333333","","Ku, Ka Wai; Au, Chi Wai; Chan, Hoi-Shan; Lee, Hung Kay","Divalent europium and ytterbium complexes supported by a bulky 2-pyridyl amido ligand: synthesis, structure and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2841","2852","10.1039/c2dt30333g","","","0.71073","MoKα","","0.0451","0.0336","","","0.0846","0.1025","","","","","","1.143","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022006","12.6538","0.0008","12.6538","0.0008","18.4222","0.0012","90","","90","","120","","2554.5","0.3","293","2","293","2","","","","","","","","4","P -3","-P 3","147","","","","- C54 H69 Eu N6 -","- C54 H69 Eu N6 -","- C108 H138 Eu2 N12 -","2","0.333333","","Ku, Ka Wai; Au, Chi Wai; Chan, Hoi-Shan; Lee, Hung Kay","Divalent europium and ytterbium complexes supported by a bulky 2-pyridyl amido ligand: synthesis, structure and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2841","2852","10.1039/c2dt30333g","","","0.71073","MoKα","","0.0275","0.0221","","","0.0569","0.0591","","","","","","1.069","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022008","12.576","0.002","12.576","0.002","18.465","0.003","90","","90","","120","","2529.1","0.7","296","2","296","2","","","","","","","","4","P -3","-P 3","147","","","","- C54 H69 N6 Yb -","- C54 H69 N6 Yb -","- C108 H138 N12 Yb2 -","2","0.333333","","Ku, Ka Wai; Au, Chi Wai; Chan, Hoi-Shan; Lee, Hung Kay","Divalent europium and ytterbium complexes supported by a bulky 2-pyridyl amido ligand: synthesis, structure and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2841","2852","10.1039/c2dt30333g","","","0.71073","MoKα","","0.067","0.0584","","","0.1525","0.1577","","","","","","1.219","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022106","29.714","0.003","29.714","0.003","16.257","0.0018","90","","90","","120","","12431","2","153","2","153","2","","","","","","","","6","P -3","-P 3","147","","","","- C73 H79 Cu4 Fe4 N11 O27 -","- C73 H67 Cu4 Fe4 N11 O27 -","- C438 H402 Cu24 Fe24 N66 O162 -","6","1","","Hu, Kong-Qiu; Wu, Shu-Qi; An, Guang-Yu; Cui, Ai-Li; Kou, Hui-Zhong","Syntheses, structure, and magnetic properties of heteronuclear Cu(II)4Fe(III)4 cluster and Cu(II)8 bimetallacycles.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1102","1108","10.1039/c2dt31708g","","","0.71073","MoKα","","0.0938","0.0871","","","0.1938","0.1983","","","","","","1.092","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7023281","13.808","0.002","13.808","0.002","17.308","0.004","90","","90","","120","","2857.8","0.9","150","2","150","2","","","","","","","","7","P -3","-P 3","147","[Na3Ni2(L)6](ClO4)","","","- C54 H60 Cl N6 Na3 Ni2 O16 -","- C54 H60 Cl N6 Na3 Ni2 O16 -","- C108 H120 Cl2 N12 Na6 Ni4 O32 -","2","0.333333","","Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F.","Homo- and heterometallic planes, chains and cubanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10315","10325","10.1039/c3dt51131f","","","0.7107","MoKα","","0.1302","0.1108","","","0.2411","0.2471","","","","","","1.288","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7025883","19.112","0.002","19.112","0.002","9.487","0.001","90","","90","","120","","3001","0.5","223","2","223","2","","","","","","","","7","P -3","-P 3","147","","","","- C6 H26 As La N6 O Se4 -","- C6 As La N6 O Se4 -","- C36 As6 La6 N36 O6 Se24 -","6","1","","Wang, Jiao; Pan, Yingli; Chen, Jiangfang; Gu, Jiansheng; Zhang, Yong; Jia, Dingxian","Investigating metal size effects in the Ln/As/Se/amine (Ln = lanthanide excluding Pm, amine = en, dien, en+trien) systems: solvothermal syntheses and characterizations of lanthanide selenidoarsenates.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7066","7072","10.1039/c0dt00040j","","","0.71073","MoKα","","0.0814","0.0793","","","0.1778","0.1787","","","","","","1.234","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025884","19.073","0.003","19.073","0.003","9.4673","0.0014","90","","90","","120","","2982.6","0.8","223","2","223","2","","","","","","","","7","P -3","-P 3","147","","","","- C6 H26 As Ce N6 O Se4 -","- C6 As Ce N6 O Se4 -","- C36 As6 Ce6 N36 O6 Se24 -","6","1","","Wang, Jiao; Pan, Yingli; Chen, Jiangfang; Gu, Jiansheng; Zhang, Yong; Jia, Dingxian","Investigating metal size effects in the Ln/As/Se/amine (Ln = lanthanide excluding Pm, amine = en, dien, en+trien) systems: solvothermal syntheses and characterizations of lanthanide selenidoarsenates.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7066","7072","10.1039/c0dt00040j","","","0.71073","MoKα","","0.0803","0.0783","","","0.1746","0.1749","","","","","","1.191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026143","16.18945","0.00026","16.18945","","10.00355","0.00016","90","","90","","120","","2270.64","0.05","100","","100","","","","","","","","","5","P -3","-P 3","147","","","","- C21 N6 O25.75 P6 Y2 -","- C21 N6 O25.75 P6 Y2 -","- C42 N12 O51.5 P12 Y4 -","2","0.333333","","Wharmby, Michael T.; Miller, Stuart R.; Groves, John A.; Margiolaki, Irene; Ashbrook, Sharon E.; Wright, Paul A.","Yttrium bisphosphonate STA-13: a racemic phosphonate metal organic framework with permanent microporosity.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6389","6391","10.1039/c0dt00233j","powder diffraction","x-ray","0.800178","synchrotron","","","","","","","","0.04521","","2.11","","","","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026144","16.1352","0.0004","16.1352","","10.02957","0.00022","90","","90","","120","","2261.32","0.07","100","","100","","","","","","","","","5","P -3","-P 3","147","","","","- C21 N6 O18 P6 Y2 -","- C21 N6 O18 P6 Y2 -","- C42 N12 O36 P12 Y4 -","2","0.333333","","Wharmby, Michael T.; Miller, Stuart R.; Groves, John A.; Margiolaki, Irene; Ashbrook, Sharon E.; Wright, Paul A.","Yttrium bisphosphonate STA-13: a racemic phosphonate metal organic framework with permanent microporosity.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6389","6391","10.1039/c0dt00233j","powder diffraction","x-ray","0.800178","synchrotron","","","","","","","","0.06473","","3.38","","","","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7028028","11.72","0.02","11.72","0.002","9.5309","0.001","90","","90","","120","","1133.8","1.9","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C12 H28 Cu15 Na2 O45 P12 -","- C2 H4.66 Cu2.5 Na0.333333 O7.5 P2 -","- C12 H27.96 Cu15 Na2 O45 P12 -","6","1","","Zheng, Li-Min; Duan, Chun-Ying; Ye, Xiang-Rong; Zhang, Li-Yi; Wang, Cheng; Xin, Xin-Quan","Synthesis, crystal structure and magnetic properties of a novel mixed-valence copper phosphonate: Na2Cu15(hedp)6(OH)2(H2O) (hedp = 1-hydroxyethylidenediphosphonate) ‡","Journal of the Chemical Society, Dalton Transactions","1998","","6","905","","10.1039/a706601e","","","0.71073","MoKα","","0.0939","0.0565","","0.1659","0.1384","","","","1.069","1.288","1.288","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028413","21.135","0.003","21.135","0.003","8.5104","0.0017","90","","90","","120","","3292.2","0.9","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C126 H72 N18 O39 Zn12 -","- C126 H72 N18 O39 Zn12 -","- C126 H72 N18 O39 Zn12 -","1","0.166667","","Liu, Lei-Lei; Yu, Cai-Xia; Sun, Juan; Meng, Pan-Pan; Ma, Feng-Ji; Du, Ji-Min; Ma, Lu-Fang","Three coordination polymers constructed from various polynuclear clusters spaced by 2,2'-azodibenzoic acid: syntheses and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2915","2924","10.1039/c3dt52888j","","","0.71073","MoKα","","0.0654","0.0518","","","0.1374","0.146","","","","","","1.086","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028488","24.6656","0.0014","24.6656","0.0014","16.6985","0.0009","90","","90","","120","","8798.2","0.9","295","","295","","","","","","","","","5","P -3","-P 3","147","","","","- C46 H69 Cu6 N7 O18 -","- C46 H63 Cu6 N7 O18 -","- C276 H378 Cu36 N42 O108 -","6","1","","Ghosh, Aloke Kumar; Pait, Moumita; Clérac, Rodolphe; Mathonière, Corine; Bertolasi, Valerio; Bauzá, Antonio; Frontera, Antonio; Pramanik, Kausikisankar; Ray, Debashis","A dodecanuclear copper(ii) cage self-assembled from six dicopper building units.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4076","4085","10.1039/c3dt53144a","","","0.71073","MoKα","","0.0943","0.06","","","0.1589","0.1764","","","","","","1.043","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7029201","14.1604","0.001","14.1604","0.001","19.0761","0.0014","90","","90","","120","","3312.6","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C69 H63 F6 N18 P Ru2 -","- C69 H63 F6 N18 P Ru2 -","- C138 H126 F12 N36 P2 Ru4 -","2","0.333333","","Metherell, Alexander J.; Cullen, William; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D.","Fac and mer isomers of Ru(II) tris(pyrazolyl-pyridine) complexes as models for the vertices of coordination cages: structural characterisation and hydrogen-bonding characteristics.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","71","84","10.1039/c3dt52479e","","","0.71073","MoKα","","0.0855","0.0506","","","0.1218","0.1594","","","","","","1.074","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7029513","20.0876","0.0003","20.0876","0.0003","9.0176","0.0002","90","","90","","120","","3151.21","0.1","173","2","173.15","","","","","","","","","5","P -3","-P 3","147","","","","- C33 H80 La4 N6 O43 -","- C33 H74.01 La4 N6 O43 -","- C66 H148.02 La8 N12 O86 -","2","0.333333","","Chen, Mao-Long; Guo, Yi-Chao; Yang, Fang; Liang, Jin-Xia; Cao, Ze-Xing; Zhou, Zhao-Hui","A lanthanum chelate possessing an open-channel framework with water nanotubes: properties and desalination.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6026","6031","10.1039/c3dt52837e","","","0.71073","MOKα","","0.063","0.0518","","","0.1166","0.1221","","","","","","1.056","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029514","19.9884","0.0007","19.9884","0.0007","8.9836","0.0003","90","","90","","120","","3108.4","0.19","173","2","173.15","","","","","","","","","5","P -3","-P 3","147","","","","- C33 H62 La4 N6 O34 -","- C33 H56.01 La4 N6 O34 -","- C66 H112.02 La8 N12 O68 -","2","0.333333","","Chen, Mao-Long; Guo, Yi-Chao; Yang, Fang; Liang, Jin-Xia; Cao, Ze-Xing; Zhou, Zhao-Hui","A lanthanum chelate possessing an open-channel framework with water nanotubes: properties and desalination.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6026","6031","10.1039/c3dt52837e","","","0.71073","MOKα","","0.0828","0.0541","","","0.1052","0.1177","","","","","","1.024","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029515","19.9229","0.0004","19.9229","0.0004","8.906","0.0002","90","","90","","120","","3061.39","0.11","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H56 La4 N6 O31 -","- C33 H56.01 La4 N6 O31 -","- C66 H112.02 La8 N12 O62 -","2","0.333333","","Chen, Mao-Long; Guo, Yi-Chao; Yang, Fang; Liang, Jin-Xia; Cao, Ze-Xing; Zhou, Zhao-Hui","A lanthanum chelate possessing an open-channel framework with water nanotubes: properties and desalination.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6026","6031","10.1039/c3dt52837e","","","0.71073","MoKα","","0.0572","0.0447","","","0.0806","0.0851","","","","","","1.052","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029516","19.9381","0.0004","19.9381","0.0004","8.9822","0.0003","90","","90","","120","","3092.29","0.14","173","2","173.15","","","","","","","","","5","P -3","-P 3","147","","","","- C39 H80 La4 N6 O37 -","- C33 H56.01 La4 N6 O34 -","- C66 H112.02 La8 N12 O68 -","2","0.333333","","Chen, Mao-Long; Guo, Yi-Chao; Yang, Fang; Liang, Jin-Xia; Cao, Ze-Xing; Zhou, Zhao-Hui","A lanthanum chelate possessing an open-channel framework with water nanotubes: properties and desalination.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6026","6031","10.1039/c3dt52837e","","","0.71073","MOKα","","0.055","0.0417","","","0.0748","0.0794","","","","","","1.113","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7030335","14.304","0.004","14.304","0.004","24.223","0.007","90","","90","","120","","4292","2","100","2","100","2","","","","","","","","8","P -3","-P 3","147","","","","- C67 H77 Cu6 I5 N15 O6.5 P2 S2 -","- C65.4999 H63 Cu6 I5 N15 O6.4998 P2 S2 -","- C131 H126 Cu12 I10 N30 O12.9996 P4 S4 -","2","0.333333","","Yadav, Ashok; Srivastava, Anant Kumar; Balamurugan, Ayyakkalai; Boomishankar, Ramamoorthy","A cationic copper(i) iodide cluster MOF exhibiting unusual ligand assisted thermochromism.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8166","8169","10.1039/c4dt00050a","","","0.71073","MoKα","","0.1715","0.0754","","","0.1727","0.2209","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030819","12.858","0.005","12.858","0.005","10.756","0.005","90","","90","","120","","1540","1.1","220","2","220","2","","","","","","","","5","P -3","-P 3","147","","","","- C30 H39 Na O5.5 Si -","- C29.9994 H38.9988 Na O5.4996 Si -","- C59.9988 H77.9976 Na2 O10.9992 Si2 -","2","0.333333","","Leich, Valeri; Lamberts, Kevin; Spaniol, Thomas P.; Okuda, Jun","Crown ether adducts of light alkali metal triphenylsilyls: synthesis, structure and hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14315","14321","10.1039/c4dt00916a","","","0.71073","MoKα","","0.1661","0.1155","","","0.19","0.2141","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031703","11.5868","0.0006","11.5868","0.0006","7.5429","0.0005","90","","90","","120","","876.99","0.09","10","2","10.15","","","","","","","","","6","P -3","-P 3","147","","","","- C24 H36 B2 F8 N18 Zn -","- C24 H36 B2 F8 N18 Zn -","- C24 H36 B2 F8 N18 Zn -","1","0.166667","","Chakraborty, Pradip; Enachescu, Cristian; Humair, Arnaud; Egger, Leo; Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Besnard, Céline; Bronisz, Robert; Hauser, Andreas","Light-induced spin-state switching in the mixed crystal series of the 2D coordination network {[Zn1-xFex(bbtr)3](BF4)2}∞: optical spectroscopy and cooperative effects.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17786","17796","10.1039/c4dt01728e","","","0.69412","","","0.0847","0.0801","","","0.2312","0.2397","","","","","","1.178","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031704","11.5937","0.0003","11.5937","0.0003","7.5357","0.0004","90","","90","","120","","877.2","0.06","10","2","10.15","","","","","","","","","7","P -3","-P 3","147","","","","- C24 H36 B2 F8 Fe0.67 N18 Zn0.33 -","- C24 H36 B2 F8 Fe0.6701 N18 Zn0.3301 -","- C24 H36 B2 F8 Fe0.6701 N18 Zn0.3301 -","1","0.166667","","Chakraborty, Pradip; Enachescu, Cristian; Humair, Arnaud; Egger, Leo; Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Besnard, Céline; Bronisz, Robert; Hauser, Andreas","Light-induced spin-state switching in the mixed crystal series of the 2D coordination network {[Zn1-xFex(bbtr)3](BF4)2}∞: optical spectroscopy and cooperative effects.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17786","17796","10.1039/c4dt01728e","","","0.69412","","","0.0345","0.0325","","","0.0789","0.0831","","","","","","1.057","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031705","11.4601","0.0016","11.4601","0.0016","7.602","0.003","90","","90","","120","","864.6","0.4","10","2","10.15","","","","","","","","","7","P -3","-P 3","147","","","","- C24 H36 B2 F8 Fe0.67 N18 Zn0.33 -","- C24 H36 B2 F8 Fe0.6702 N18 Zn0.33 -","- C24 H36 B2 F8 Fe0.6702 N18 Zn0.33 -","1","0.166667","","Chakraborty, Pradip; Enachescu, Cristian; Humair, Arnaud; Egger, Leo; Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Besnard, Céline; Bronisz, Robert; Hauser, Andreas","Light-induced spin-state switching in the mixed crystal series of the 2D coordination network {[Zn1-xFex(bbtr)3](BF4)2}∞: optical spectroscopy and cooperative effects.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17786","17796","10.1039/c4dt01728e","","","0.69412","","","0.077","0.0722","","","0.1966","0.2033","","","","","","1.117","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031706","11.5915","0.0003","11.5915","0.0003","7.5372","0.0002","90","","90","","120","","877.04","0.04","10","2","10","","","","","","","","","7","P -3","-P 3","147","","","","- C24 H36 B2 F8 Fe0.31 N18 Zn0.69 -","- C24 H36 B2 F8 Fe0.31 N18 Zn0.6901 -","- C24 H36 B2 F8 Fe0.31 N18 Zn0.6901 -","1","0.166667","","Chakraborty, Pradip; Enachescu, Cristian; Humair, Arnaud; Egger, Leo; Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Besnard, Céline; Bronisz, Robert; Hauser, Andreas","Light-induced spin-state switching in the mixed crystal series of the 2D coordination network {[Zn1-xFex(bbtr)3](BF4)2}∞: optical spectroscopy and cooperative effects.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17786","17796","10.1039/c4dt01728e","","","0.69412","","","0.042","0.041","","","0.1162","0.1186","","","","","","1.112","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031707","11.5302","0.0003","11.5302","0.0003","7.5779","0.0003","90","","90","","120","","872.48","0.05","10","2","10","","","","","","","","","7","P -3","-P 3","147","","","","- C24 H36 B2 F8 Fe0.31 N18 Zn0.69 -","- C24 H36 B2 F8 Fe0.31 N18 Zn0.6901 -","- C24 H36 B2 F8 Fe0.31 N18 Zn0.6901 -","1","0.166667","","Chakraborty, Pradip; Enachescu, Cristian; Humair, Arnaud; Egger, Leo; Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Besnard, Céline; Bronisz, Robert; Hauser, Andreas","Light-induced spin-state switching in the mixed crystal series of the 2D coordination network {[Zn1-xFex(bbtr)3](BF4)2}∞: optical spectroscopy and cooperative effects.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17786","17796","10.1039/c4dt01728e","","","0.69412","","","0.0416","0.0403","","","0.1169","0.1181","","","","","","1.164","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7032869","26.799","0.003","26.799","0.003","15.7884","0.0018","90","","90","","120","","9819.9","1.9","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C216 H240 N96 O140 S8 Zn8 -","- C216 H240 N96 O140 S8 Zn8 -","- C216 H240 N96 O140 S8 Zn8 -","1","0.166667","","Dutta, Ranjan; Akhuli, Bidyut; Ghosh, Pradyut","Encapsulation of [(SO4)4(H2O)12](8-) clusters in a metal organic framework of pyridyl functionalized cyanuric acid based tris-urea.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15075","15078","10.1039/c4dt02877e","","","0.71073","MoKα","","0.0859","0.0712","","","0.2638","0.2759","","","","","","1.17","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7033215","13.6005","0.0005","13.6005","0.0005","11.9425","0.0003","90","","90","","120","","1913.09","0.11","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C39 H36 Mo N6 O3 S3 -","- C39 H36 Mo N6 O3 S3 -","- C78 H72 Mo2 N12 O6 S6 -","2","0.333333","","Sengupta, Dolan; Gangopadhyay, Snigdha; Drew, Michael G. B.; Gangopadhyay, Pijush Kanti","Thiohydrazide complexes of molybdenum and their relevance to reduction of dinitrogen to ammonia.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1323","1331","10.1039/c4dt01945h","","","0.71073","MoKα","","0.0582","0.0423","","","0.0888","0.097","","","","","","1.013","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7034050","32.7382","0.0005","32.7382","0.0005","9.1893","0.0004","90","","90","","120","","8529.5","0.4","200","2","200","2","","","","","","","","7","P -3","-P 3","147","","","","- C156 H120 F36 N18 O3 P6 Zn3 -","- C156 H120 F35.9994 N18 O3 P5.9999 Zn3 -","- C312 H240 F71.9988 N36 O6 P11.9998 Zn6 -","2","0.333333","","Liang, Yen-Peng; He, Yun-Jui; Lee, Yin-Hsuan; Chan, Yi-Tsu","Self-assembly of triangular metallomacrocycles using unsymmetrical bisterpyridine ligands: isomer differentiation via TWIM mass spectrometry.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5139","5145","10.1039/c4dt03055a","","","1.54178","CuKα","","0.2105","0.0947","","","0.2265","0.2862","","","","","","1.175","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7036572","16.515","0.002","16.515","0.002","17.886","0.003","90","","90","","120","","4224.7","1","200","2","200","2","","","","","","","synthesis as described","8","P -3","-P 3","147","","","","- C84 H113 Cl3 K N4 O6 Ti3 Zr -","- C78 H107.01 Cl3 K N4 O6 Ti3 Zr -","- C156 H214.02 Cl6 K2 N8 O12 Ti6 Zr2 -","2","0.333333","","Caballo, Jorge; Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Homo and heteropolymetallic Group 4 molecular nitrides.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18145","18157","10.1039/c5dt02836a","","x-ray","0.71073","MoKα","","0.0905","0.0658","","","0.119","0.1284","","","","","","1.15","","","","has coordinates","171200","2020-10-21","18:00:00",""
"7038776","13.8972","0.0005","13.8972","0.0005","16.3109","0.0005","90","","90","","120","","2728.12","0.16","298","2","298","2","","","","","","","","7","P -3","-P 3","147","","","","- C50 H36 F18 Fe N O S4 -","- C49.98 H35.94 F18 Fe N O S3.9999 -","- C99.96 H71.88 F36 Fe2 N2 O2 S7.9998 -","2","0.333333","","Mondragón, Alexander; Martínez-Alanis, Paulina R; Aullón, Gabriel; Hernández-Ortega, Simón; Robles-Marín, Elvis; Flores-Alamo, Marcos; Ugalde-Saldívar, Víctor M; Castillo, Ivan","Redox flexibility of iron complexes supported by sulfur-based tris(o-methylenethiophenolato)amine relative to its tripodal oxygen-based congener.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9996","10006","10.1039/c6dt00814c","","","0.71073","MoKα","","0.0634","0.049","","","0.1179","0.1281","","","","","","1.039","","","","has coordinates,has disorder","185374","2020-10-21","18:00:00",""
"7038777","14.0497","0.0009","14.0497","0.0009","16.3511","0.0011","90","","90","","120","","2795.2","0.3","298","2","298","2","","","","","","","","7","P -3","-P 3","147","","","","- C52 H38 F18 Fe N O S3 -","- C52.002 H38.004 F18 Fe N O S3 -","- C104.004 H76.008 F36 Fe2 N2 O2 S6 -","2","0.333333","","Mondragón, Alexander; Martínez-Alanis, Paulina R; Aullón, Gabriel; Hernández-Ortega, Simón; Robles-Marín, Elvis; Flores-Alamo, Marcos; Ugalde-Saldívar, Víctor M; Castillo, Ivan","Redox flexibility of iron complexes supported by sulfur-based tris(o-methylenethiophenolato)amine relative to its tripodal oxygen-based congener.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9996","10006","10.1039/c6dt00814c","","","0.71073","MoKα","","0.061","0.0481","","","0.1255","0.1377","","","","","","1.045","","","","has coordinates,has disorder","185374","2020-10-21","18:00:00",""
"7038892","20.43184","0.00012","20.43184","0.00012","8.99609","0.00006","90","","90","","120","","3252.37","0.03","100.15","","100.15","","","","","","","","","5","P -3","-P 3","147","","","","- C12 H30 Al O12 P3 -","- C12 H30 Al O12 P3 -","- C72 H180 Al6 O72 P18 -","6","1","","Dębowski, M; Łokaj, K; Wolak, A.; Żurawski, K; Plichta, A.; Zachara, J.; Ostrowski, A.; Florjańczyk, Z","Linear coordination polymers based on aluminum phosphates: synthesis, crystal structure and morphology.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8008","8020","10.1039/c6dt00153j","","","0.71073","MoKα","","0.0319","0.0262","","","0.0687","0.0717","","","","","","1.031","","","","has coordinates,has disorder","185529","2020-10-21","18:00:00",""
"7041475","10.1259","0.0003","10.1259","0.0003","15.3317","0.0009","90","","90","","120","","1361.41","0.1","100","0.1","100","0.1","","","","","","","","4","P -3","-P 3","147","","","","- C28 H31 Cl3 Si3 -","- C28 H31 Cl3 Si3 -","- C56 H62 Cl6 Si6 -","2","0.333333","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","0.71073","MoKα","","0.0326","0.0301","","","0.0828","0.0838","","","","","","1.234","","","","has coordinates,has disorder","191615","2020-10-21","18:00:00",""
"7041482","14.3167","0.0004","14.3167","0.0004","10.44916","0.00016","90","","90","","120","","1854.8","0.08","220","0.1","220","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C31 H31 Cl3 F9 Sb Si3 -","- C31 H31 Cl2.9997 F9 Sb0.9999 Si3 -","- C62 H62 Cl5.9994 F18 Sb1.9998 Si6 -","2","0.333333","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1112","1123","10.1039/c6dt04350j","","x-ray","1.54184","CuKα","","0.0746","0.0683","","","0.2252","0.247","","","","","","1.037","","","","has coordinates,has disorder","191615","2020-10-21","18:00:00",""
"7043743","17.551","0.004","17.551","0.004","12.722","0.004","90","","90","","120","","3393.8","1.5","295","2","295","2","","","","","","","","7","P -3","-P 3","147","","","","- C72 H124 Gd8 N12 Ni6 O74 S12 -","- C72 H83.9996 Gd8 N12 Ni6 O52 S12 -","- C72 H83.9996 Gd8 N12 Ni6 O52 S12 -","1","0.166667","","Feng, Ya-Nan; Tian, Chong-Bin; Du, Shaowu","A novel alb metalloring organic framework with a {Ni12Gd24} cage exhibiting significant magnetocaloric effect","Dalton Trans.","2017","","","","","10.1039/C7DT02358H","","","0.71073","MoKα","","0.0864","0.0671","","","0.1928","0.2068","","","","","","1.111","","","","has coordinates","198910","2020-10-21","18:00:00",""
"7044725","23.4503","0.0008","23.4503","0.0008","14.6472","0.0005","90","","90","","120","","6975.6","0.4","120","2","120.01","","","","","","","","","8","P -3","-P 3","147","","","","- As6 Cs15 Dy6 H166 K9 Na12 O281 W54 -","- As6 Cs15 Dy6 K8.9998 Na12 O281 W54 -","- As6 Cs15 Dy6 K8.9998 Na12 O281 W54 -","1","0.166667","","Huo, Yu; Chen, Yan-Cong; Liu, Jun-Liang; Jia, Jian-Hua; Chen, Wen-Bin; Wu, Si-Guo; Tong, Mingliang","A wheel-shaped Dy(III) single-molecule magnet supported by polyoxotungstates","Dalton Transactions","2017","","","","","10.1039/C7DT03721J","","","0.71073","MoKα","","0.0941","0.0518","","","0.117","0.1367","","","","","","1.031","","","","has coordinates,has disorder","203024","2020-10-21","18:00:00",""
"7044950","19.0415","0.0006","19.0415","0.0006","20.0613","0.0006","90","","90","","120","","6299.3","0.3","100","0.1","100","0.1","","","","","","","","8","P -3","-P 3","147","","","","- C27 H46 Br0.33 Cu0.33 N O13 P Ti3 -","- C27 H53 Br0.333333 Cu0.333333 N O13 P Ti3 -","- C162 H318 Br2 Cu2 N6 O78 P6 Ti18 -","6","1","","Fan, Xi; Narayanam, Nagaraju; Gao, Meiyan; Zhang, Lei; Zhang, Jian","Ligand dependent assembly of trinuclear titanium-oxo units into coordination tetrahedra and capsules.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","663","665","10.1039/c7dt04204c","","x-ray","1.54184","CuKα","","0.0937","0.0808","","","0.2314","0.248","","","","","","1.062","","","","has coordinates","230065","2020-10-21","18:00:00",""
"7044951","18.9783","0.0012","18.9783","0.0012","19.9218","0.0009","90","","90","","120","","6214","0.6","100","0.13","100","0.13","","","","","","","","8","P -3","-P 3","147","","","","- C27 H49 Cl0.33 Cu0.33 N O13 P Ti3 -","- C27 H49 Cl0.333333 Cu0.333333 N O13 P Ti3 -","- C162 H294 Cl2 Cu2 N6 O78 P6 Ti18 -","6","1","","Fan, Xi; Narayanam, Nagaraju; Gao, Meiyan; Zhang, Lei; Zhang, Jian","Ligand dependent assembly of trinuclear titanium-oxo units into coordination tetrahedra and capsules.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","663","665","10.1039/c7dt04204c","","x-ray","1.54184","CuKα","","0.1574","0.1342","","","0.3239","0.3378","","","","","","1.041","","","","has coordinates","230065","2020-10-21","18:00:00",""
"7047765","14.36351","0.00009","14.36351","0.00009","15.72381","0.00012","90","","90","","120","","2809.37","0.03","123.1","0.3","123.1","0.3","","","","","","","","8","P -3","-P 3","147","","","","- C88.98 H26.96 Al2 Cl5.96 Cu2 F92 N7 O6 -","- C88.9802 H26.9604 Al2 Cl5.9604 Cu2 F92 N7 O6 -","- C88.9802 H26.9604 Al2 Cl5.9604 Cu2 F92 N7 O6 -","1","0.166667","","Elsayed Moussa, Mehdi; Piesch, Martin; Fleischmann, Martin; Schreiner, Andrea; Seidl, Michael; Scheer, Manfred","Highly soluble Cu(i)-acetonitrile salts as building blocks for novel phosphorus-rich organometallic-inorganic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16031","16035","10.1039/c8dt03723j","","x-ray","1.54184","CuKα","","0.0313","0.0293","","","0.0721","0.0732","","","","","","1.049","","","","has coordinates,has disorder","229961","2020-10-21","18:00:00",""
"7048426","15.7492","0.0016","15.7492","0.0016","14.4036","0.0017","90","","90","","120","","3094","0.6","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C44 H50 B2 O2 -","- C44 H50 B2 O2 -","- C132 H150 B6 O6 -","3","0.5","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.2055","0.1282","","","0.2607","0.2931","","","","","","1.173","","","","has coordinates","224012","2020-10-21","18:00:00",""
"7049140","15.2335","0.0001","15.2335","0.0001","12.5157","0.0002","90","","90","","120","","2515.27","0.05","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","","","- C39 H54 Cl Co N10 O3 -","- C39 H54 Cl Co N10 O3 -","- C78 H108 Cl2 Co2 N20 O6 -","2","0.333333","","Klug, Christina M.; Ozumerzifon, Tarik J.; Bhowmick, Indrani; Livesay, Brooke N.; Rappé, Anthony K; Shores, Matthew P.","Anionic guest-dependent slow magnetic relaxation in Co(ii) tripodal iminopyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9117","9126","10.1039/c9dt00739c","","","0.71073","MoKα","","0.0869","0.0667","","","0.2082","0.2237","","","","","","1.073","","","","has coordinates","224207","2020-10-21","18:00:00",""
"7049142","15.5579","0.0015","15.5579","0.0015","12.1716","0.0017","90","","90","","120","","2551.4","0.5","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","","","- C39 H54 Br Co N10 O3 -","- C39 H54 Br Co N10 O3 -","- C78 H108 Br2 Co2 N20 O6 -","2","0.333333","","Klug, Christina M.; Ozumerzifon, Tarik J.; Bhowmick, Indrani; Livesay, Brooke N.; Rappé, Anthony K; Shores, Matthew P.","Anionic guest-dependent slow magnetic relaxation in Co(ii) tripodal iminopyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9117","9126","10.1039/c9dt00739c","","","0.71073","MoKα","","0.0677","0.0556","","","0.1965","0.2006","","","","","","1.157","","","","has coordinates","224207","2020-10-21","18:00:00",""
"7049143","15.8091","0.0007","15.8091","0.0007","12.0675","0.001","90","","90","","120","","2611.9","0.3","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","","","- C39 H54 Co I N10 O3 -","- C39 H54 Co I N10 O3 -","- C78 H108 Co2 I2 N20 O6 -","2","0.333333","","Klug, Christina M.; Ozumerzifon, Tarik J.; Bhowmick, Indrani; Livesay, Brooke N.; Rappé, Anthony K; Shores, Matthew P.","Anionic guest-dependent slow magnetic relaxation in Co(ii) tripodal iminopyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9117","9126","10.1039/c9dt00739c","","","0.71073","MoKα","","0.0454","0.0348","","","0.0984","0.1026","","","","","","1.086","","","","has coordinates","224207","2020-10-21","18:00:00",""
"7052331","17.8434","0.0006","17.8434","0.0006","8.654","0.0006","90","","90","","120","","2386.2","0.2","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C90 H132 Co2 N24 -","- C90 H132 Co2 N24 -","- C90 H132 Co2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.105","0.0566","","","0.1313","0.1479","","","","","","1.019","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052332","18.1638","0.0014","18.1638","0.0014","8.5506","0.0012","90","","90","","120","","2443.1","0.4","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C90 H132 Cr2 N24 -","- C90 H132 Cr2 N24 -","- C90 H132 Cr2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.1019","0.0512","","","0.1299","0.1619","","","","","","1.072","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052333","17.9242","0.0004","17.9242","0.0004","8.614","0.0004","90","","90","","120","","2396.71","0.13","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C90 H132 Fe2 N24 -","- C90 H132 Fe2 N24 -","- C90 H132 Fe2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.0747","0.0435","","","0.1083","0.1304","","","","","","1.056","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052334","17.9242","0.0004","17.9242","0.0004","8.614","0.0004","90","","90","","120","","2396.71","0.13","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C90 H132 Fe2 N24 -","- C90 H132 Fe2 N24 -","- C90 H132 Fe2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.0747","0.0435","","","0.1083","0.1304","","","","","","1.056","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7053682","9.408","0.016","9.408","0.016","8.597","0.014","90","","90","","120","","659","1.9","200","2","200","","","","","","","","","3","P -3","-P 3","147","","","","- F18 Sb3 Tl -","- F18 Sb3 Tl -","- F36 Sb6 Tl2 -","2","0.333333","","Mazej, Zoran; Goreshnik, Evgeny","Fluoride ion donor properties of group 13 trifluorides (MF3, M = Al, Ga, In, Tl) and crystal structures of InF3·3SbF5, TlF3·3SbF5 and TlF3·AsF5·2HF","New Journal of Chemistry","2010","34","12","2806","","10.1039/c0nj00514b","","","0.7107","MoKα","","0.045","0.0407","","","0.0938","0.0972","","","","","","1.137","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7054043","16.2519","0.0015","16.2519","0.0015","25.431","0.005","90","","90","","120","","5817","1.4","120","2","120","2","","","","","","","","5","P -3","-P 3","147","","","","- C76 H156 Mn4 O36 P4 -","- C76 H156 Mn4 O36 P4 -","- C152 H312 Mn8 O72 P8 -","2","0.333333","","Burkovskaya, Nataliya; Aleksandrov, Grigory; Ugolkova, Elena; Efimov, Nikolay; Evstifeev, Igor; Kiskin, Mikhail; Dobrokhotova, Zhanna; Minin, Vadim; Eremenko, Igor","Self-assembly and decay of Mn(ii) pivalate‒phosphonate complexes","New Journal of Chemistry","2014","38","4","1587","","10.1039/c3nj00899a","","","0.71073","MoKα","","0.1827","0.0842","","","0.2364","0.2927","","","","","","1.321","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7056502","23.4764","0.0007","23.4764","0.0007","12.156","0.0006","90","","90","","120","","5802.1","0.4","296","","296","","","","","","","","","8","P -3","-P 3","147","","","","- C36 H27 La8 N6 Nb9 O172 Si3 W27 -","- C36 H24 La8 N6 Nb9 O178 Si3 W27 -","- C36 H24 La8 N6 Nb9 O178 Si3 W27 -","1","0.166667","","Yang, Mei-Si; Chen, Wei-Chao; Qin, Chao; Yao, Wei; Yin, Ying-Xue; Su, Zhong-Min","An Unprecedented 3D Architecture Based on Nb/W Mixed-Addendum Polyoxometalate and Lanthanide-Organic Complex: Synthesis, Crystal Structure and Properties","New J. Chem.","2017","","","","","10.1039/C7NJ02011B","","x-ray","0.71073","MoKα","K-L~3~","0.0739","0.0615","","","0.1436","0.1497","","","","","","1.08","","","","has coordinates,has disorder","199551","2020-10-21","18:00:00",""
"7056711","16.0478","0.0007","16.0478","0.0007","8.2848","0.0009","90","","90","","120","","1847.8","0.2","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C39 H35 Fe N6 O10 -","- C39 H27 Fe N6 O10 -","- C78 H54 Fe2 N12 O20 -","2","0.333333","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.0813","0.0512","","","0.1327","0.1506","","","","","","1.037","","","","has coordinates","202295","2020-10-21","18:00:00",""
"7057040","12.4751","0.0005","12.4751","0.0005","15.0171","0.0006","90","","90","","120","","2023.97","0.14","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C64 H80 I2 K2 N24 O13 -","- C62.6664 H79.9998 I2 K2 N23.9998 O13.0002 -","- C62.6664 H79.9998 I2 K2 N23.9998 O13.0002 -","1","0.166667","","Grounds, Olivia; Zeller, Matthias; Rosokha, Sergiy V.","Structural preferences in strong anion‒π and halogen-bonded complexes: π- and σ-holes vs. frontier orbitals interaction","New Journal of Chemistry","2018","42","13","10572","","10.1039/C7NJ04843B","","","0.71073","MoKα","","0.0462","0.0301","","","0.0603","0.0652","","","","","","1.027","","","","has coordinates,has disorder","230373","2020-10-21","18:00:00",""
"7057087","19.0694","0.0006","19.0694","0.0006","17.1332","0.0006","90","","90","","120","","5395.6","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C32 H50 Mo N2 O4 -","- C32 H50 Mo N2 O4 -","- C192 H300 Mo6 N12 O24 -","6","1","","Maurya, Mannar R.; Mengesha, Bekele; Uprety, Bhawna; Jangra, Nancy; Tomar, Reshu; Avecilla, Fernando","Oxygen atom transfer between DMSO and benzoin catalyzed by cis-dioxidomolybdenum(vi) complexes of tetradentate Mannich bases","New Journal of Chemistry","2018","42","8","6225","","10.1039/C7NJ03551A","","","0.71073","MoKα","","0.0891","0.0521","","","0.1537","0.1827","","","","","","1.031","","","","has coordinates,has disorder","288501","2023-12-22","13:20:51",""
"7058761","23.206","0.005","23.206","0.005","8.801","0.005","90","","90","","120","","4105","3","273","","273","","","","","","","","","7","P -3","-P 3","147","","","","- C22 H32 Br2 Cl N3 Ni O2 -","- C22 H30 Br2 Cl N3 Ni O -","- C132 H180 Br12 Cl6 N18 Ni6 O6 -","6","1","","Wang, Guohong; Li, Min; Pang, Wenmin; Chen, Min; Tan, Chen","Lewis acids in situ modulate pyridazine-imine Ni catalysed ethylene (co)polymerisation","New Journal of Chemistry","2019","43","34","13630","","10.1039/C9NJ01243E","","","0.71069","MoKα","","0.0978","0.0414","","","0.0916","0.1115","","","","","","0.989","","","","has coordinates,has disorder","224966","2020-10-21","18:00:00",""
"7060385","13.9917","0.0008","13.9917","0.0008","18.8197","0.0012","90","","90","","120","","3190.7","0.3","150","","150","","","","","","","","","6","P -3","-P 3","147","","","","- C66 H54 F9 N3 P4.5 Ru -","- C66 H54 F9 N3 P4.5 Ru -","- C132 H108 F18 N6 P9 Ru2 -","2","0.333333","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.0961","0.0817","","","0.1904","0.2008","","","","","","1.062","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060712","19.5053","0.0001","19.5053","0.0001","7.9076","0.0001","90","","90","","120","","2605.44","0.04","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C17 H9 F9 N2 O -","- C17 H9 F9 N2 O -","- C102 H54 F54 N12 O6 -","6","1","","Accorsi, Gianluca; Capodilupo, Agostina-Lina; Claramunt, Rosa María; Clarkson, Guy J.; Farrán, A.; Gatti, Francesco G.; León, Salvador; Venturi, Silvia","Studies of novel trifluoroacetylated diaryl hydrazone molecular photoswitches in solution and in the solid state","New Journal of Chemistry","2021","45","28","12471","12478","10.1039/D1NJ01677F","","x-ray","1.54184","CuKα","","0.0343","0.0332","","","0.09","0.091","","","","","","1.054","","","","has coordinates","268841","2021-09-06","11:58:40",""
"7061495","19.3724","0.0003","19.3724","0.0003","9.8552","0.0003","90","","90","","120","","3203.04","0.12","296","2","296.15","","","","","","","","","5","P -3","-P 3","147","","","","- C108 H96 Cd9 N18 O26 -","- C108 H96 Cd9 N18 O26 -","- C108 H96 Cd9 N18 O26 -","1","0.166667","","Shao, Juan-Juan; Ni, Jian-Ling; Mensah, Abraham; Liang, Yu; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming","Anion-induced two stable isostructural Cd(ii) LMOFs based on benzotriazole with the highly selective detection of Fe3+ ions","New Journal of Chemistry","2022","46","22","10927","10933","10.1039/D2NJ01514E","","","0.71073","MoKα","","0.0371","0.0358","","","0.0962","0.0974","","","","","","1.065","","","","has coordinates","276648","2022-07-06","08:22:15",""
"7062591","20.009","0.004","20.009","0.004","15.363","0.003","90","","90","","120","","5326.7","1.8","296","2","296.15","","","","","","","","","6","P -3","-P 3","147","","","","- C78 H123 Dy4 N3 Ni3 O42 -","- C78 H99 Dy4 N3 Ni3 O31 -","- C156 H198 Dy8 N6 Ni6 O62 -","2","0.333333","","Biswas, Mousumi; Mavromagoulos, Athanasios; Murrie, Mark; Ray, Debashis","Self-assembly of Schiff base anions and the trapping of HO−, O2− and Piv− bridges in a family of Ni3Ln4 complexes: synthesis, structures and magnetic properties","New Journal of Chemistry","2023","47","31","14868","14875","10.1039/D3NJ01092A","","","0.71073","MoKα","","0.0284","0.0227","","","0.0519","0.0553","","","","","","1.038","","","","has coordinates,has disorder","286173","2023-09-05","20:10:32",""
"7062592","20.046","0.004","20.046","0.004","15.42","0.003","90","","90","","120","","5366.2","1.8","296.15","","296.15","","","","","","","","","6","P -3","-P 3","147","","","","- C78 H119 N3 Ni3 O40 Tb4 -","- C78 H99 N3 Ni3 O31 Tb4 -","- C156 H198 N6 Ni6 O62 Tb8 -","2","0.333333","","Biswas, Mousumi; Mavromagoulos, Athanasios; Murrie, Mark; Ray, Debashis","Self-assembly of Schiff base anions and the trapping of HO−, O2− and Piv− bridges in a family of Ni3Ln4 complexes: synthesis, structures and magnetic properties","New Journal of Chemistry","2023","47","31","14868","14875","10.1039/D3NJ01092A","","","0.71073","MoKα","","0.0289","0.0236","","","0.051","0.0544","","","","","","1.07","","","","has coordinates,has disorder","286173","2023-09-05","20:10:36",""
"7062593","20.033","0.004","20.033","0.004","15.367","0.003","90","","90","","120","","5340.9","1.8","296.15","","296.15","","","","","","","","","6","P -3","-P 3","147","","","","- C78 H123 Ho4 N3 Ni3 O42 -","- C78 H99 Ho4 N3 Ni3 O31 -","- C156 H198 Ho8 N6 Ni6 O62 -","2","0.333333","","Biswas, Mousumi; Mavromagoulos, Athanasios; Murrie, Mark; Ray, Debashis","Self-assembly of Schiff base anions and the trapping of HO−, O2− and Piv− bridges in a family of Ni3Ln4 complexes: synthesis, structures and magnetic properties","New Journal of Chemistry","2023","47","31","14868","14875","10.1039/D3NJ01092A","","","0.71073","MoKα","","0.0262","0.0219","","","0.0492","0.0525","","","","","","1.061","","","","has coordinates,has disorder","286173","2023-09-05","20:10:49",""
"7100145","13.9626","0.0005","13.9626","0.0005","7.4577","0.0005","90","","90","","120","","1259.12","0.11","100","2","100","2","","","","","","","","6","P -3","-P 3","147","1","","","- C24 H27 Ag B3 F6 N6 -","- C24 H27 Ag B F4 N6 -","- C48 H54 Ag2 B2 F8 N12 -","2","0.333333","","L. Barbour; Liliana Dobrzanska; Helgard G. Raubenheimer","Borromean sheets assembled by self-supporting argentophilic interactions","Chemical Communications","2005","","","","","10.1039/b505784a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100543","20.888","0.004","20.888","0.004","8.774","0.004","90","","90","","120","","3315.2","1.7","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C21.33 H28.33 Cl N6 O2 -","- C21.3333 H28.3333 Cl N6 O2 -","- C128 H170 Cl6 N36 O12 -","6","1","","Louis Cuccia; Todd C. Sutherland; Liyan Xing; Ulrich Ziener","Hydrogen Bond Directed Synthesis of Pyridazine and Naphthyridine Containing Macrocycles","Chemical Communications","2005","","","","","10.1039/b510118b","","","","","","","","","","","","","","","","","","","","","has coordinates","180107","2020-10-21","18:00:00",""
"7100872","11.861","0.002","11.861","0.002","17.319","0.003","90","","90","","120","","2110.1","0.6","90","2","90","2","","","","","","","","7","P -3","-P 3","147","","","","- C54 H72 F36 I8 K2 N4 O12 -","- C54 H72 F36 I8 K2 N4 O12 -","- C54 H72 F36 I8 K2 N4 O12 -","1","0.166667","","Giuseppe Resnati; Rosalba Liantonio; Pierangelo Metrangolo; Franck Meyer; Tullio Pilati","Metric engineering of supramolecular borromean rings","Chemical Communications","2006","","","","","10.1039/b516730b","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7101485","15.79","0.0007","15.79","0.0007","7.013","0.0003","90","","90","","120","","1514.25","0.11","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","1","0.166667","","Ana Galet; M. Carmen Munoz; Jose A. Real","Coordination polymers undergoing spin crossover and reversible ligand exchange in the solid","Chemical Communications","2006","","41","","","10.1039/B606434E","","","0.71073","MoKα","","0.1093","0.0727","","","0.2094","0.2513","","","","","","1.109","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101486","15.673","0.0009","15.673","0.0009","6.95","0.0007","90","","90","","120","","1478.49","0.19","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","1","0.166667","","Ana Galet; M. Carmen Munoz; Jose A. Real","Coordination polymers undergoing spin crossover and reversible ligand exchange in the solid","Chemical Communications","2006","","41","","","10.1039/B606434E","","","0.71073","MoKα","","0.1841","0.0828","","","0.2033","0.2544","","","","","","1.008","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101706","10.6887","0.0009","10.6887","0.0009","6.6917","0.0011","90","","90","","120","","662.09","0.13","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- F2 Na13 Nb3 O28 P6 -","- F1.98 Na13 Nb3 O28.02 P6 -","- F1.98 Na13 Nb3 O28.02 P6 -","1","0.166667","","Liu, Guang-Zhen; Zheng, Shou-Tian; Yang, Guo-Yu","A (4,2)-connected niobium phosphate Na13Nb3P6O28F2 with a unique 6.12-net layer: synthesis, structure and ion exchange properties.","Chemical communications (Cambridge, England)","2007","","7","751","753","10.1039/b614265f","","","0.71073","MoKα","","0.0683","0.0676","","","0.1308","0.1311","","","","","","1.047","","","","has coordinates,has disorder","180119","2020-10-21","18:00:00",""
"7102095","19.341","0.0003","19.341","0.0003","11.5145","0.0004","90","","90","","120","","3730.21","0.15","100","","100","","","","","","","","","5","P -3","-P 3","147","","","","- C33 H105 Co7 N11 O49.5 -","- C27 H72 Co7 N10 O36 -","- C54 H144 Co14 N20 O72 -","2","0.333333","","Ferguson, Alan; Parkin, Andrew; Sanchez-Benitez, Javier; Kamenev, Konstantin; Wernsdorfer, Wolfgang; Murrie, Mark","A mixed-valence Co7 single-molecule magnet with C3 symmetry.","Chemical communications (Cambridge, England)","2007","","33","3473","3475","10.1039/b706238a","","","0.71073","MoKα","","0.0526","0.0343","","0.0976","0.0779","0.0976","","","","","","0.9203","","","","has coordinates,has disorder","180122","2020-10-21","18:00:00",""
"7102425","15.9763","0.0019","15.9763","0.0019","51.131","0.009","90","","90","","120","","11302","3","173","2","173","2","","","","","","","","7","P -3","-P 3","147","","","","- C104.5 H117.75 F12 N9.25 Ni O8 P2 -","- C104.52 H117.78 F12.03 N9.26 Ni O7.9825 P2.005 -","- C418.08 H471.12 F48.12 N37.04 Ni4 O31.93 P8.02 -","4","0.666667","","Perkins, David F; Lindoy, Leonard F; Meehan, George V; Turner, Peter","Inherent helicity in an extended tris-bipyridyl molecular cage.","Chemical communications (Cambridge, England)","2004","","2","152","153","10.1039/b312716h","","","0.71073","MoKα","","0.1069","0.0756","","","0.2061","0.2426","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102428","23.5886","0.0012","23.5886","0.0012","15.9501","0.0014","90","","90","","120","","7686","0.9","100","2","100","2","","","","","","","","8","P -3","-P 3","147","","","","- C109.5 H100 Cl22 Co6 Li9 N18 O23 P -","- C109.5 H78 Cl22 Co6 Li9 N18 O23 P -","- C219 H156 Cl44 Co12 Li18 N36 O46 P2 -","2","0.333333","","Langley, Stuart; Helliwell, Madeleine; Raftery, James; Tolis, Evangelos I; Winpenny, Richard E P","Phosphonate ligands encourage a platonic relationship between cobalt(II) and alkali metal ions.","Chemical communications (Cambridge, England)","2004","","2","142","143","10.1039/b312769a","","","0.71073","MoKα","","0.0753","0.0537","","","0.1567","0.1736","","","","","","0.965","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105025","17.879","0.0003","17.879","0.0003","8.7221","0.0004","90","","90","","120","","2414.56","0.12","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C90.66 H134.64 Co2 N24 O1.66 -","- C90.66 H132 Co2 N24 O0.66 -","- C90.66 H132 Co2 N24 O0.66 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","In situ reduction of Fe(iii) into Fe(ii): an example of post-crystallisation transformation.","Chemical communications (Cambridge, England)","2009","","44","6798","6800","10.1039/b914964c","","","0.71073","MoKα","","0.065","0.0442","","","0.1259","0.1376","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105026","17.9647","0.0009","17.9647","0.0009","8.667","0.001","90","","90","","120","","2422.4","0.3","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C90.66 H134.64 Fe2 N24 O0.66 -","- C90.66 H132 Fe2 N24 O0.66 -","- C90.66 H132 Fe2 N24 O0.66 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","In situ reduction of Fe(iii) into Fe(ii): an example of post-crystallisation transformation.","Chemical communications (Cambridge, England)","2009","","44","6798","6800","10.1039/b914964c","","","0.71073","MoKα","","0.0793","0.0462","","","0.1041","0.1159","","","","","","1.044","","","","has coordinates","180154","2020-10-21","18:00:00",""
"7105203","18.0456","0.0006","18.0456","0.0006","8.3728","0.0005","90","","90","","120","","2361.26","0.18","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C90 H132 Cs2 Fe2 N24 -","- C90 H132 Cs2 Fe2 N24 -","- C90 H132 Cs2 Fe2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: crystal engineering of mixed valence Fe(II)/Fe(III) solid solutions.","Chemical communications (Cambridge, England)","2010","46","6","868","870","10.1039/b919478a","","","0.71073","MoKα","","0.0982","0.062","","","0.1257","0.1455","","","","","","1.04","","","","has coordinates,has disorder","180156","2020-10-21","18:00:00",""
"7105204","19.0191","0.0003","19.0191","0.0003","7.181","0.0003","90","","90","","120","","2249.55","0.11","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C90 H132 Fe2 K2 N24 -","- C90 H132 Fe2 K2 N24 -","- C90 H132 Fe2 K2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: crystal engineering of mixed valence Fe(II)/Fe(III) solid solutions.","Chemical communications (Cambridge, England)","2010","46","6","868","870","10.1039/b919478a","","","0.71073","MoKα","","0.0886","0.0472","","","0.1127","0.127","","","","","","1.012","","","","has coordinates","180156","2020-10-21","18:00:00",""
"7105205","19.2156","0.0009","19.2156","0.0009","7.1461","0.0006","90","","90","","120","","2285.1","0.2","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C90 H132 K2 N24 Ru2 -","- C90 H132 K2 N24 Ru2 -","- C90 H132 K2 N24 Ru2 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: crystal engineering of mixed valence Fe(II)/Fe(III) solid solutions.","Chemical communications (Cambridge, England)","2010","46","6","868","870","10.1039/b919478a","","","0.71073","MoKα","","0.0836","0.0573","","","0.1392","0.1525","","","","","","1.027","","","","has coordinates","180156","2020-10-21","18:00:00",""
"7105206","19.1776","0.0008","19.1776","0.0008","6.9473","0.0006","90","","90","","120","","2212.8","0.2","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C90 H132 Fe2 N24 Na2 -","- C90 H132 Fe2 N24 Na2 -","- C90 H132 Fe2 N24 Na2 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: crystal engineering of mixed valence Fe(II)/Fe(III) solid solutions.","Chemical communications (Cambridge, England)","2010","46","6","868","870","10.1039/b919478a","","","0.71073","MoKα","","0.078","0.0452","","","0.1066","0.1207","","","","","","1.073","","","","has coordinates","180156","2020-10-21","18:00:00",""
"7105207","18.9482","0.0008","18.9482","0.0008","7.3664","0.0006","90","","90","","120","","2290.5","0.2","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C90 H132 Fe2 N24 Rb2 -","- C90 H132 Fe2 N24 Rb2 -","- C90 H132 Fe2 N24 Rb2 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: crystal engineering of mixed valence Fe(II)/Fe(III) solid solutions.","Chemical communications (Cambridge, England)","2010","46","6","868","870","10.1039/b919478a","","","0.71073","MoKα","","0.1768","0.0864","","","0.2178","0.2851","","","","","","1.012","","","","has coordinates","180156","2020-10-21","18:00:00",""
"7105208","18.0505","0.0004","18.0505","0.0004","8.4055","0.0004","90","","90","","120","","2371.77","0.14","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C90 H132 Cs1.66 Fe2 N24 -","- C90 H132 Cs1.644 Fe2 N24 -","- C90 H132 Cs1.644 Fe2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: crystal engineering of mixed valence Fe(II)/Fe(III) solid solutions.","Chemical communications (Cambridge, England)","2010","46","6","868","870","10.1039/b919478a","","","0.71073","MoKα","","0.094","0.0686","","","0.2132","0.2329","","","","","","1.234","","","","has coordinates,has disorder","180156","2020-10-21","18:00:00",""
"7105821","24.2358","0.0014","24.2358","0.0014","11.848","0.0006","90","","90","","120","","6026.9","0.6","103","0.1","103","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C243.24 H219.24 Cl9.72 F12 N24 Zn6 -","- C243.276 H219.276 Cl9.828 F12 N24 Zn6 -","- C243.276 H219.276 Cl9.828 F12 N24 Zn6 -","1","0.166667","","Li Ma; Brian Patrick; David Dolphin","Self-assembly of [2x2] grids and a hexagon using bis(dipyrrin)s","Chem.Commun.","2011","47","","704","","10.1039/c0cc03765f","","","0.71073","MoKα","","0.0811","0.0623","","","0.1711","0.1862","","","","","","1.083","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7106067","16.242","0.002","16.242","0.002","9.4661","0.0014","90","","90","","120","","2162.6","0.5","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C39 H52 B Cl3 N6 O3 Zr -","- C21 H34 B Cl3 N6 O3 Zr -","- C42 H68 B2 Cl6 N12 O6 Zr2 -","2","0.333333","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.0607","0.0436","","","0.1087","0.1139","","","","","","1.093","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106075","16.131","0.002","16.131","0.002","9.6857","0.0014","90","","90","","120","","2182.7","0.5","200","2","200","2","","","","","","","","6","P -3","-P 3","147","","","","- C42 H52 B N6 O6 Re -","- C42 H52 B N6 O6 Re -","- C84 H104 B2 N12 O12 Re2 -","2","0.333333","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.0822","0.0363","","","0.0586","0.0714","","","","","","1.131","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106702","15.716","0.0005","15.716","0.0005","11.449","0.0005","90","","90","","120","","2448.96","0.15","200","2","200","2","","","","","","","","4","P -3","-P 3","147","","","","- C48 H49 N5 O12 -","- C48 H49 N5 O12 -","- C96 H98 N10 O24 -","2","0.333333","","Ashutosh Sharan Singh; Shih Sheng Sun","Dynamic Self-Assembly of Molecular Capsule via Solvent Polarity Controlled Reversible Binding of Nitrate Anion with C3 Symmetric tripodal Receptor","Chem.Commun.","2011","47","","8563","","10.1039/c1cc12757h","","","0.71073","MoKα","","0.2508","0.1953","","","0.5241","0.5372","","","","","","1.837","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106827","14.2614","0.0004","14.2614","0.0004","11.0241","0.0002","90","","90","","120","","1941.77","0.08","123","1","123","1","","","","","","","see text","5","P -3","-P 3","147","","","","- C22 H50 Cl6 Ge7 P4 -","- C16 H36 Cl6 Ge7 P4 -","- C32 H72 Cl12 Ge14 P8 -","2","0.333333","","Stefan Almstatter; Balazs Gabor; Michael Bodensteiner; Manfred Scheer","Germanium/Phosphorus Cage Compounds with Germanium in Three Different Oxidation States","Chem.Commun.","2011","47","","9998","","10.1039/c1cc13937a","","x-ray","1.54184","CuKα","","0.0512","0.0343","","","0.0758","0.0784","","","","","","0.872","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106865","21.746","0.002","21.746","0.002","7.7165","0.0016","90","","90","","120","","3160.2","0.8","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C31.67 H28.67 Cl2 N2 O4.67 Zn -","- C31.6663 H28.6664 Cl2 N2 O4.6666 Zn -","- C94.9988 H85.9992 Cl6 N6 O13.9998 Zn3 -","3","0.5","","Gui-Ge Hou; Yue Liu; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","NbO lattice MOFs based on octahedral M(II) and ditopic pyridyl substituted diketonate ligands: structure, encapsulation and guest-driven luminescent property","Chem.Commun.","2011","47","","10731","","10.1039/c1cc14115e","","","0.71073","MoKα","","0.0851","0.0721","","","0.2117","0.2219","","","","","","1.046","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106869","21.7437","0.0016","21.7437","0.0016","15.438","0.002","90","","90","","120","","6321","1.1","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H24 Fe0 N2 O4 Zn -","- C30 H24 N2 O4 Zn -","- C180 H144 N12 O24 Zn6 -","6","1","","Gui-Ge Hou; Yue Liu; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","NbO lattice MOFs based on octahedral M(II) and ditopic pyridyl substituted diketonate ligands: structure, encapsulation and guest-driven luminescent property","Chem.Commun.","2011","47","","10731","","10.1039/c1cc14115e","","","0.71073","MoKα","","0.086","0.0437","","","0.1083","0.1173","","","","","","0.831","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7108063","12.9487","0.0001","12.9487","0.0001","6.9577","0.0001","90","","90","","120","","1010.3","0.018","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C12 H24 Br8 Fe3 N24 -","- C12 H24 Br8 Fe3 N24 -","- C12 H24 Br8 Fe3 N24 -","1","0.166667","","Olivier Roubeau; Marco Evangelisti; Eva Natividad","A spin crossover ferrous complex with ordered magnetic ferric anions","Chem.Commun.","2012","48","","7604","","10.1039/c2cc33709f","","","0.71073","MoKα","","0.0546","0.028","","","0.0577","0.0608","","","","","","0.859","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108064","12.683","0.002","12.683","0.002","6.798","0.0014","90","","90","","120","","947","0.3","104","2","104","2","","","","","","","","5","P -3","-P 3","147","","","","- C12 H24 Br8 Fe3 N24 -","- C12 H24 Br8 Fe3 N24 -","- C12 H24 Br8 Fe3 N24 -","1","0.166667","","Olivier Roubeau; Marco Evangelisti; Eva Natividad","A spin crossover ferrous complex with ordered magnetic ferric anions","Chem.Commun.","2012","48","","7604","","10.1039/c2cc33709f","","","0.7378","synchrotron","","0.0359","0.0358","","","0.0978","0.0979","","","","","","1.086","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108065","12.9404","0.0004","12.9404","0.0004","6.9522","0.0003","90","","90","","120","","1008.2","0.06","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C12 H24 Br8 Fe2 N24 Zn -","- C12 H24 Br8 Fe2 N24 Zn -","- C12 H24 Br8 Fe2 N24 Zn -","1","0.166667","","Olivier Roubeau; Marco Evangelisti; Eva Natividad","A spin crossover ferrous complex with ordered magnetic ferric anions","Chem.Commun.","2012","48","","7604","","10.1039/c2cc33709f","","","0.71073","MoKα","","0.071","0.0478","","","0.0966","0.1072","","","","","","1.057","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108453","25.0734","0.0012","25.0734","0.0012","19.3734","0.0009","90","","90","","120","","10547.8","0.9","100","","100","","","","","","","","","6","P -3","-P 3","147","","","","- C162 H144 N36 Ni4 O10 S -","- C162 H144 N36 Ni4 O10 S -","- C324 H288 N72 Ni8 O20 S2 -","2","0.333333","","Song Yi; Valentina Brega; Burjor Captain; Angel E. Kaifer","Sulfate-templated self-assembly of new M4L6 tetrahedral metal organic cages","Chem.Commun.","2012","48","","10295","","10.1039/c2cc35095e","","","0.71073","MoKα","","0.0832","0.0593","","","0.1634","0.1754","","","","","","1.013","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7109746","14.7","0.002","14.7","0.004","13.252","0.003","90","","90","","120","0.003","2480","0.9","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C42.5 H49.5 N6.5 Na2 O20.5 Zn3 -","- C33 H24 N3 Na2 O18 Zn3 -","- C66 H48 N6 Na4 O36 Zn6 -","2","0.333333","","Xing Meng; Xue-Zhi Song; Shu-Yan Song; Guo-Cheng Yang; Min Zhu; Zhao-Min Hao; Shu-Na Zhao; Hong-Jie Zhang","A multifunctional proton-conducting and sensing pillar-layer framework based on [24-MC-6] heterometallic crown clusters","Chem.Commun.","2013","49","","8483","","10.1039/c3cc44106g","","","0.71069","MoKα","","0.0872","0.053","","","0.1174","0.1257","","","","","","0.947","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7110637","31.061","0.001","31.061","0.001","12.566","0.001","90","","90","","120","","10499.3","1","180","","","","","","","","","","Local laboratory","3","P -3","-P 3","147","","","","- C58 H84 Si10 -","- C58 H84 Si10 -","- C348 H504 Si60 -","6","1","","Matsuo, Tsukasa; Uchida, Kumiko; Sekiguchi, Akira","Silylacetylene dendrimers: synthesis and characterization","Chemical Communications","1999","","18","1799","","10.1039/a905107d","","","0.71073","xray","","","0.054","","","0.051","","","","","2.782","2.782","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110764","15.267","0.003","15.267","0.003","10.921","0.006","90","","90","","120","","2204.5","1.4","294","2","294","2","","","","","","","","5","P -3","-P 3","147","","1,7,8,11,12,15,16,24,31-Nonaaza-10,14,18-trioxo-8,9,12,13,16,17-hexahydro- 26,28,30-trinitro[6(3)](1,5,9)triphenyleno(1,3,5)cyclophane (1a)","","- C33.5 H42 Cl N12 O12 -","- C33.51 H42 Cl0.99 N12 O12 -","- C67.02 H84 Cl1.98 N24 O24 -","2","0.333333","","Wolff, J. Jens; Seibold, Uwe; Oeser, Thomas","Formation of a benzenetrienoid resonance structure in a cyclophane containing a trinitrotriaminobenzene unit","Chemical Communications","2000","","1","89","","10.1039/a908200j","","","0.71073","MoKα","","0.168","0.067","","","0.187","0.236","","","","","","0.98","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111388","10.8914","0.001","10.8914","0.001","8.685","0.0017","90","","90","","120","","892.2","0.2","193","2","193","2","","","","","","","","6","P -3","-P 3","147","","","","- C10 H16 Cl12 N10 Nb6 Zn2 -","- C10.02 Cl12 N9.96 Nb6 Zn2 -","- C10.02 Cl12 N9.96 Nb6 Zn2 -","1","0.166667","","Yan, Bangbo; Day, Cynthia S.; Lachgar, Abdessadek","Octahedral metal clusters as building units in a neutral layered honeycomb network, [Zn(en)]2[Nb6Cl12(CN)6]","Chemical Communications","2004","","21","2390","2391","10.1039/b408000a","","x-ray","0.71073","MoKα","","0.0917","0.0568","","","0.1154","0.1307","","","","","","1.076","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111411","18.4013","0.0008","18.4013","0.0008","9.6305","0.0009","90","","90","","120","","2824.1","0.3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C40 H30 Cu2 N2 O10 -","- C40.3 H30 Cu2 N2 O10.3 -","- C120.9 H90 Cu6 N6 O30.9 -","3","0.5","","Perry, John J.; McManus, Gregory J.; Zaworotko, Michael J.","Sextuplet phenyl embrace in a metal?organic Kagom� lattice","Chemical Communications","2004","","22","2534","2535","10.1039/b408973a","","x-ray","0.71073","MoKα","","0.0546","0.0421","","","0.097","0.1094","","","","","","1.136","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111446","15.79","0.0007","15.79","0.0007","7.013","0.0003","90","","90","","120","","1514.25","0.11","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","1","0.166667","","Galet, Ana; Mu�oz, M. Carmen; Mart�nez, V�ctor; Real, Jos� Antonio","Supramolecular isomerism in spin crossover networks with aurophilic interactions","Chemical Communications","2004","","20","2268","2269","10.1039/b409974e","","","0.71073","MoKα","","0.1093","0.0727","","","0.2094","0.2513","","","","","","1.109","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111447","15.673","0.0009","15.673","0.0009","6.95","0.0007","90","","90","","120","","1478.49","0.19","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","1","0.166667","","Galet, Ana; Mu�oz, M. Carmen; Mart�nez, V�ctor; Real, Jos� Antonio","Supramolecular isomerism in spin crossover networks with aurophilic interactions","Chemical Communications","2004","","20","2268","2269","10.1039/b409974e","","","0.71073","MoKα","","0.1841","0.0828","","","0.2033","0.2544","","","","","","1.008","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111745","14.838","0.0003","14.838","0.0003","7.305","0.0001","90","","90","","120","","1392.84","0.04","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C54 H60 Ag2 Cl2 N6 O14 -","- C54 H60 Ag2 Cl2 N6 O14 -","- C54 H60 Ag2 Cl2 N6 O14 -","1","0.166667","","Burrows, Andrew D.; Frost, Christopher G.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J.","Solid state interconversion of cages and coordination networks via conformational change of a semi-rigid ligand","Chemical Communications","2010","46","28","5064","5066","10.1039/c0cc00826e","","","0.71073","MoKα","","0.0593","0.0362","","","0.0808","0.088","","","","","","1.052","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7114536","14.5236","0.0011","14.5236","0.0011","8.2878","0.0009","90","","90","","120","","1514","0.2","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","2,4,6-Tris-(4-nitrophenoxy)-1,3,5-triazine, Tribromobenzene solvate","","- C27 H15 Br3 N6 O9 -","- C24.6 H12 Br3 N6 O9 -","- C49.2 H24 Br6 N12 O18 -","2","0.333333","","Jetti, Ram K. R.; Thallapally, Praveen K.; Nangia, Ashwini; Lam, Chi-Keung; Mak, Thomas C. W.","2,4,6-Tris(4-nitrophenoxy)-1,3,5-triazine: a hexagonal host framework stabilised by the NO2-trimer supramolecular synthon","Chemical Communications","2002","","9","952","","10.1039/b200152g","","","0.71073","MoKα","","0.1169","0.078","","","0.2474","0.2798","","","","","","1.064","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114644","15.8928","0.0003","15.8928","0.0003","7.9116","0.0001","90","","90","","120","","1730.6","0.05","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C36 H48 Ag8 Ni2 O31 S12 -","- C36 H48 Ag7.98 Ni2 O31 S12 -","- C36 H48 Ag7.98 Ni2 O31 S12 -","1","0.166667","","Tae Hwan Noh; Jaeseong Jang; Woosik Hong; Haeri Lee; Ok-Sang Jung","Truncated trigonal prismatic tubular crystals consisting of a zeolite L-mimic metal-organic framework","Chem.Commun.","2014","50","","7451","","10.1039/C4CC03097D","","","0.71073","MoKα","","0.105","0.0715","","","0.2221","0.2386","","","","","","1.015","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7115192","8.298","0.001","8.298","0.001","10.519","0.002","90","","90","","120","","627.27","0.16","150","2","150","2","","","","","","","'hydrothermal synthesis at 180 deg C for 4 days'","6","P -3","-P 3","147","en-pillared namuwite","mu-ethylenediaminododecahydroxodisulfatooctacobalt(II)-6-water","","- C H16 Co4 N O13 S -","- C0.99 H9.96 Co4 N0.99 O12.97 S -","- C1.98 H19.92 Co8 N1.98 O25.94 S2 -","2","0.333333","","Rujiwatra, Apinpus; Kepert, Cameron J.; Rosseinsky, Matthew J.","The organo-pillared porous magnetic framework Co4(SO4)(OH)6(H2NC2H4NH2)0.5·3H2O","Chemical Communications","1999","","22","2307","","10.1039/a907315i","","","0.71073","MoKα","","0.0881","0.0859","","","0.2179","0.2193","","","","","","1.321","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115251","23.418","0.002","23.418","0.002","21.185","0.003","90","","90","","120","","10061.4","1.9","220","","220","","","","","","","","?","6","P -3","-P 3","147","","","","- C72 H61.33 Eu N3 O6.67 P6 -","- C72 H60 Eu N3 O6.66667 P6 -","- C432 H360 Eu6 N18 O40 P36 -","6","1","","Magennis, Steven W.; Parsons, Simon; Pikramenou, Zoe; Corval, Anne; Derek Woollins, J.","Imidodiphosphinate ligands as antenna units in luminescent lanthanide complexes","Chemical Communications","1999","","1","61","","10.1039/a808046a","","","0.71073","MoKα","","","0.0426","","","0.0418","","","","","1.1338","1.1338","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117040","23.2046","0.0004","23.2046","0.0004","17.2439","0.0019","90","","90","","120","","8041.1","0.9","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C31.33 H26 Cl2 Co4.67 N16 O3.33 -","- C31.3333 H25.99 Cl2 Co4.66667 N16 O3.33333 -","- C188 H155.94 Cl12 Co28 N96 O20 -","6","1","","Fu-Ping Huang; Peng-Fei Yao; Hai-Ye Li; Qing Yu; He-Dong Bian; Hong Liang","An intuitional hierarchical assembly of cluster-organic frameworks with a thickness of 1.97 nm from a discrete Co14 cluster","Chem.Commun.","2015","51","","7598","","10.1039/C5cc01057H","","","0.7107","MoKα","","0.0514","0.0435","","","0.1383","0.1447","","","","","","1.09","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117519","20.785","0.007","20.785","0.007","4.1189","0.0015","90","","90","","120","","1541","0.9","120","2","120","2","","","","","","","","4","P -3","-P 3","147","","","","- C42 H23 O4 P -","- C42 H21 O4 P -","- C84 H42 O8 P2 -","2","0.333333","","Masaki Yamamura; Kimiya Sukegawa; Tatsuya Nabeshima","Tuning the depth of bowl-shaped phosphine hosts: capsule and pseudo-cage architectures in host-guest complexes with C60 fullerene","Chem.Commun.","2015","51","","12080","","10.1039/C5cc04194E","","","0.71073","MoKα","","0.0615","0.0527","","","0.133","0.1383","","","","","","1.047","","","","has coordinates","152084","2020-10-21","18:00:00",""
"7117920","14.441","0.002","14.441","0.002","9.8961","0.0016","90","","90","","120","","1787.3","0.5","200","2","200","2","","","","","","","","6","P -3","-P 3","147","","","","- C34 H58 B Cr N6 O5 -","- C30 H46 B Cr N6 O3 -","- C60 H92 B2 Cr2 N12 O6 -","2","0.333333","","Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold","Mechanism-based design of labile precursors for chromium(I) chemistry","Chem.Commun.","2015","51","","15402","","10.1039/C5cc05993C","","","0.71073","MoKα","","0.1338","0.071","","","0.1657","0.194","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118938","11.3403","0.0003","11.3403","0.0003","15.1182","0.0005","90","","90","","120","","1683.76","0.08","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C18 H48 Li3 N6 P7 -","- C18 H48 Li3 N6 P7 -","- C36 H96 Li6 N12 P14 -","2","0.333333","","Bhattacharyya, Koyel X.; Dreyfuss, Sébastien; Saffon-Merceron, Nathalie; Mézailles, Nicolas","P4 functionalization by hydrides: direct synthesis of P-H bonds.","Chemical communications (Cambridge, England)","2016","52","29","5179","5182","10.1039/c6cc01683a","","","0.71073","MoKα","","0.0634","0.0445","","","0.105","0.1151","","","","","","1.065","","","","has coordinates","181563","2020-10-21","18:00:00",""
"7119346","12.438","0.0006","12.438","0.0006","16.1574","0.0011","90","","90","","120","","2164.7","0.2","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C35.5 H63 La Si6 -","- C35.4999 H57 La Si6 -","- C70.9998 H114 La2 Si12 -","2","0.333333","","Boteju, Kasuni C.; Ellern, Arkady; Sadow, Aaron D.","Homoleptic organolanthanide compounds supported by the bis(dimethylsilyl)benzyl ligand.","Chemical communications (Cambridge, England)","2017","53","4","716","719","10.1039/c6cc09304c","","","0.71073","MoKα","","0.0352","0.031","","","0.0842","0.0941","","","","","","1.107","","","","has coordinates","189930","2020-10-21","18:00:00",""
"7119909","25.3416","0.0004","25.3416","0.0004","16.5233","0.0003","90","","90","","120","","9189.6","0.3","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C108.75 H87.75 Ag7 B7 F28 N38.25 O2.25 -","- C108.75 H87.75 Ag7 B7 F28 N38.25 O2.25 -","- C217.5 H175.5 Ag14 B14 F56 N76.5 O4.5 -","2","0.333333","","Li, Cheng-Peng; Zhou, Hang; Wang, Si; Yuan, Hong-Han; Zhang, Su-Zhen; Du, Miao","A nanoporous Ag(i) coordination polymer for selective adsorption of carcinogenic dye Acid Red 26.","Chemical communications (Cambridge, England)","2017","53","35","4767","4770","10.1039/c7cc02005h","","","1.54184","CuKα","","0.077","0.0555","","","0.1315","0.1389","","","","","","1.017","","","","has coordinates","196296","2020-10-21","18:00:00",""
"7119910","25.4554","0.0003","25.4554","0.0003","16.5591","0.0002","90","","90","","120","","9292.39","0.19","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C102 H72 Ag7 Cl7 N36 O28 -","- C102 H72 Ag7 Cl7 N36 O28 -","- C204 H144 Ag14 Cl14 N72 O56 -","2","0.333333","","Li, Cheng-Peng; Zhou, Hang; Wang, Si; Yuan, Hong-Han; Zhang, Su-Zhen; Du, Miao","A nanoporous Ag(i) coordination polymer for selective adsorption of carcinogenic dye Acid Red 26.","Chemical communications (Cambridge, England)","2017","53","35","4767","4770","10.1039/c7cc02005h","","","1.54184","CuKα","","0.0437","0.0359","","","0.0918","0.0948","","","","","","1.003","","","","has coordinates","196296","2020-10-21","18:00:00",""
"7121585","43.8008","0.0006","43.8008","0.0006","11.1753","0.0004","90","","90","","120","","18567.5","0.8","250","0.1","250","0.1","","","","","","","","7","P -3","-P 3","147","","","","- C102 H102 Ag12 F18 N8 O12 S6 -","- C102 H102 Ag12 F18 N8 O12 S6 -","- C306 H306 Ag36 F54 N24 O36 S18 -","3","0.5","","Zang, Shuang-Quan; Du, Xiang-Sha; Yan, Bing-Jie; Wang, Jia-Yin; Xi, Xiao-Juan; Wang, Zhao-Yang","Layer-sliding-driven crystal size and photoluminescence change in a novel SCC-MOF","Chemical Communications","2018","","","","","10.1039/C8CC01559G","","x-ray","1.54184","CuKα","","0.1564","0.1378","","","0.4309","0.4506","","","","","","1.101","","","","has coordinates,has disorder","207592","2020-10-21","18:00:00",""
"7121654","28.4392","0.0009","28.4392","0.0009","13.8884","0.0005","90","","90","","120","","9727.9","0.6","120","2","120","2","","","","","","","","7","P -3","-P 3","147","","","","- C56.33 H80.33 Cl7.33 N3 P2 Pt Ru -","- C56.3333 H80.3333 Cl7.33333 N3 P2 Pt Ru -","- C338 H482 Cl44 N18 P12 Pt6 Ru6 -","6","1","","Reinholdt, Anders; Hill, Anthony F.; Bendix, Jesper","Synthons for carbide complex chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5708","5711","10.1039/c8cc03596b","","","0.71073","MoKα","","0.0444","0.0337","","","0.0813","0.0874","","","","","","1.067","","","","has coordinates,has disorder","228520","2020-10-21","18:00:00",""
"7122061","15.714","0.0007","15.714","0.0007","9.1939","0.0004","90","","90","","120","","1966.09","0.15","100","","100","","","","","","","","","4","P -3","-P 3","147","","","","- C36 H54 N4 O6 -","- C36 H54 N4 O6 -","- C72 H108 N8 O12 -","2","0.333333","","Cole, Bren E.; Falcones, Ingemar B.; Cheisson, Thibault; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","A molecular basis to rare earth separations for recycling: tuning the TriNOx ligand properties for improved performance.","Chemical communications (Cambridge, England)","2018","54","73","10276","10279","10.1039/c8cc04409k","","","0.71075","MoKα","","0.0684","0.0576","","","0.1887","0.2077","","","","","","1.149","","","","has coordinates","228044","2020-10-21","18:00:00",""
"7128165","21.2196","0.0008","21.2196","0.0008","30.9753","0.0011","90","","90","","120","","12078.7","0.8","100","0.3","100","0.3","","","","","","","","7","P -3","-P 3","147","","","","- C219 H238.5 F48 Fe4 N37.5 O9 P8 -","- C177 H148.5 F42 Fe4 N25.5 O4.5 P7 -","- C354 H297 F84 Fe8 N51 O9 P14 -","2","0.333333","","Siddique, Rashid G.; Arachchige, Kasun S. A.; Al-Fayaad, Hydar A; Brock, Aidan J.; Micallef, Aaron S.; Luis, Ena T.; Thoburn, John D.; McMurtrie, John C.; Clegg, Jack K.","The kinetics and mechanism of interconversion within a system of [Fe<sub>2</sub>L<sub>3</sub>]<sup>4+</sup> helicates and [Fe<sub>4</sub>L<sub>6</sub>]<sup>8+</sup> cages.","Chemical communications (Cambridge, England)","2021","57","40","4918","4921","10.1039/d1cc01583d","","x-ray","0.71073","MoKα","","0.1642","0.13","","","0.3195","0.3394","","","","","","1.08","","","","has coordinates,has disorder","265883","2021-06-05","17:28:52",""
"7128358","14.6283","0.0011","14.6283","0.0011","7.9366","0.0005","90","","90","","120","","1470.8","0.18","150","0.2","150","0.2","","","","","","","","4","P -3","-P 3","147","","","","- C25 H57 Li N6 -","- C25 H56.9997 Li N6 -","- C50 H113.999 Li2 N12 -","2","0.333333","","Davison, Nathan; Falbo, Emanuele; Waddell, Paul G.; Penfold, Thomas J.; Lu, Erli","A monomeric methyllithium complex: synthesis and structure.","Chemical communications (Cambridge, England)","2021","57","50","6205","6208","10.1039/d1cc01420j","","x-ray","1.54184","CuKα","","0.0696","0.0473","","","0.1034","0.1157","","","","","","0.956","","","","has coordinates,has disorder","267022","2021-07-05","16:18:17",""
"7128481","14.2829","0.0006","14.2829","0.0006","5.2532","0.0003","90","","90","","120","","928.08","0.08","273","2","273","2","","","","","","","","3","P -3","-P 3","147","","","","- C42 H24 O12 -","- C42 H24 O12 -","- C42 H24 O12 -","1","0.166667","","Hirohata, Tomoki; Shida, Naoki; Uekusa, Hidehiro; Yasuda, Nobuhiro; Nishihara, Hirotomo; Ogoshi, Tomoki; Tomita, Ikuyoshi; Inagi, Shinsuke","Pillar[6]quinone: facile synthesis, crystal structures and electrochemical properties.","Chemical communications (Cambridge, England)","2021","57","52","6360","6363","10.1039/d1cc02413b","","","0.81078","Synchrotron","","0.1055","0.0864","","","0.2377","0.2585","","","","","","1.076","","","","has coordinates","267013","2021-07-05","16:15:45",""
"7130858","24.5261","0.0004","24.5261","0.0004","17.843","0.0002","90","","90","","120","","9295.1","0.2","169.99","0.13","169.99","0.13","","","","","","","","3","P -3","-P 3","147","","","","- C37 H28 N4 -","- C39 H32 N4 -","- C234 H192 N24 -","6","1","","Zhou, He-Ye; Zhang, Da-Wei; Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","A novel thermally activated delayed fluorescence macrocycle","Chemical Communications","2022","","","","","10.1039/D2CC04618K","","x-ray","1.54184","CuKα","","0.1075","0.0971","","","0.3003","0.3156","","","","","","1.342","","","","has coordinates","278568","2022-10-13","21:58:27",""
"7131797","30.9679","0.0006","30.9679","0.0006","34.1539","0.0005","90","","90","","120","","28365.8","0.9","140","0.1","140","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C210 H155 La N12 O11 Pd2 -","- C210 H155 La N12 O11 Pd2 -","- C1260 H930 La6 N72 O66 Pd12 -","6","1","","Sudan, Sylvain; Fadaei-Tirani, Farzaneh; Severin, Kay","A five-stranded heterometallic helicate.","Chemical communications (Cambridge, England)","2023","59","53","8258","8261","10.1039/d3cc02045b","","x-ray","1.54184","CuKα","","0.1872","0.0949","","","0.2537","0.3158","","","","","","0.982","","","","has coordinates,has disorder","284713","2023-06-29","21:56:21",""
"7154740","18.6953","0.0004","18.6953","0.0004","9.2303","0.0002","90","","90","","120","","2793.9","0.1","123","2","123","2","","","","","","","","4","P -3","-P 3","147","","","","- C21 H27 N O -","- C21 H27 N O -","- C126 H162 N6 O6 -","6","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","1.5418","CuKα","","0.0562","0.0477","","","0.1266","0.1352","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7155998","27.8827","0.0006","27.8827","0.0006","25.2681","0.0005","90","","90","","120","","17012.7","0.6","150","0.1","150","0.1","","","","","","","","3","P -3","-P 3","147","FRP-7","","","- C252 H324 N12 -","- C252 H324 N12 -","- C504 H648 N24 -","2","0.333333","","Wang, Xinchang; Peng, Pixian; Xuan, Wei; Wang, Yu; Zhuang, Yongbin; Tian, Zhongqun; Cao, Xiaoyu","Narcissistic chiral self-sorting of molecular face-rotating polyhedra.","Organic & biomolecular chemistry","2017","16","1","34","37","10.1039/c7ob02727c","","x-ray","1.54184","CuKα","","0.1242","0.0971","","","0.2951","0.3293","","","","","","1.108","","","","has coordinates","230640","2020-10-21","18:00:00",""
"7200424","14.1188","0.0011","14.1188","0.0011","9.6675","0.0015","90","","90","","120","","1668.9","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C54 H66 Cl2 Co7 N6 O26 -","- C54 H66 Cl2 Co7 N6 O26 -","- C54 H66 Cl2 Co7 N6 O26 -","1","0.166667","","Shu-Hua Zhang; You Song; Hong Liang; Ming-Hua Zeng","Microwave-assisted synthesis, crystal structure and properties of a disc-like heptanuclear Co(II) cluster and a heterometallic cubanic Co(II) cluster","CrystEngComm","2009","11","5","865","872","10.1039/b815675a","","","0.71073","MoKα","","0.1126","0.0877","","","0.2338","0.2457","","","","","","1.172","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201103","13.1987","0.0002","13.1987","0.0002","9.247","0.0001","90","","90","","120","","1395.06","0.03","203","2","203","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 F12 Fe N10 Na -","- C18 H24 B3 F12 Fe N10 Na -","- C36 H48 B6 F24 Fe2 N20 Na2 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0945","0.0714","","","0.2068","0.2332","","","","","","1.102","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201104","13.2465","0.0004","13.2465","0.0004","9.1812","0.0003","90","","90","","120","","1395.19","0.08","203","2","203","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 F12 Fe K N10 -","- C18 H24 B3 F12 Fe K N10 -","- C36 H48 B6 F24 Fe2 K2 N20 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0686","0.033","","","0.0656","0.0703","","","","","","0.849","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201105","13.286","0.0004","13.286","0.0004","9.2998","0.0002","90","","90","","120","","1421.65","0.07","203","2","203","2","","","","","","","","6","P -3","-P 3","147","","","","- C18 H28 B3 F12 Fe N11 -","- C18 H24 B3 F12 Fe N11 -","- C36 H48 B6 F24 Fe2 N22 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0585","0.035","","","0.098","0.1056","","","","","","1.045","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201106","13.466","0.0003","13.466","0.0003","9.4702","0.0002","90","","90","","120","","1487.19","0.06","296","2","296","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 Cs F12 Fe N10 -","- C18 H24 B3 Cs F12 Fe N10 -","- C36 H48 B6 Cs2 F24 Fe2 N20 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0549","0.0361","","","0.0934","0.1095","","","","","","1.084","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201107","13.384","0.0006","13.384","0.0006","9.3264","0.0003","90","","90","","120","","1446.83","0.1","296","2","296","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 F12 Fe N10 Rb -","- C18 H24 B3 F12 Fe N10 Rb -","- C36 H48 B6 F24 Fe2 N20 Rb2 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0836","0.0327","","","0.0661","0.0843","","","","","","0.989","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7202334","13.6564","0.0004","13.6564","0.0004","6.1296","0.0002","90","","90","","120","","990","0.05","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C36 H36 Cl2 Mn N6 O14 -","- C36 H36 Cl2 Mn N6 O14 -","- C36 H36 Cl2 Mn N6 O14 -","1","0.166667","","Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.","Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size","CrystEngComm","2008","10","12","1796","","10.1039/b810245g","","","0.71073","MoKα","","0.0718","0.055","","","0.1766","0.1851","","","","","","1.107","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202597","28.937","0.003","28.937","0.003","10.6939","0.0014","90","","90","","120","","7754.9","1.5","153","2","153","2","","","","","","","","5","P -3","-P 3","147","","","","- C252 H368 Cu18 N24 O178 -","- C252 H368.018 Cu18 N24 O178 -","- C252 H368.018 Cu18 N24 O178 -","1","0.166667","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Scheer, Manfred; You, Xiao-Zeng","Metal disordering Cu(ii) supramolecular polymers constructed from a tripodal ligand possessing two different functional groups","CrystEngComm","2007","9","3","228","","10.1039/b616315g","","","0.71073","MoKα","","0.0925","0.0619","","","0.1439","0.1525","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204705","10.3426","0.0015","10.3426","0.0015","8.9709","0.0018","90","","90","","120","","831","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dilanthanum(iii)octahydrate","tris(galactarato)dilanthanum(III)octahydrate","","- C18 H40 La2 O32 -","- C18 H12 La2 O32.232 -","- C18 H12 La2 O32.232 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0228","0.0228","","","0.0596","0.0596","","","","","","1.156","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204706","10.288","0.0015","10.288","0.0015","8.9427","0.0018","90","","90","","120","","819.7","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dicerium(iii)octahydrate","tris(galactarato)dicerium(III)octahydrate","","- C18 H40 Ce2 O32 -","- C18 H12 Ce2 O31.296 -","- C18 H12 Ce2 O31.296 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0229","0.0229","","","0.0596","0.0596","","","","","","1.144","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204707","10.2182","0.0014","10.2182","0.0014","8.9084","0.0018","90","","90","","120","","805.5","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dipraseodymium(iii)octahydrate","tris(galactarato)dipraseodymium(III)octahydrate","","- C18 H40 O32 Pr2 -","- C18 H12 O32.58 Pr2 -","- C18 H12 O32.58 Pr2 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0315","0.0314","","","0.0773","0.0773","","","","","","1.081","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204708","10.2151","0.0014","10.2151","0.0014","8.9021","0.0018","90","","90","","120","","804.5","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dineodymium(iii)octahydrate","tris(galactarato)dineodymium(III)octahydrate","","- C18 H40 Nd2 O32 -","- C18 H12 Nd2 O32.148 -","- C18 H12 Nd2 O32.148 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0212","0.0211","","","0.0565","0.0565","","","","","","1.142","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7205125","14.8496","0.001","14.8496","0.001","9.3759","0.0014","90","","90","","120","","1790.5","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C60 H78 Cl2 Co7 N6 O26 -","- C60 H78 Cl2 Co7 N6 O26 -","- C60 H78 Cl2 Co7 N6 O26 -","1","0.166667","","Wei, Lian-Qiang; Li, Bing-Wen; Hu, Sheng; Zeng, Ming-Hua","Controlled assemblies of hepta- and trideca-CoII clusters by a rational derivation of salicylalde schiff bases: microwave-assisted synthesis, crystal structures, ESI-MS solution analysis and magnetic properties","CrystEngComm","2011","13","2","510","","10.1039/c0ce00085j","","","0.71073","MoKα","","0.0726","0.0473","","","0.1421","0.1834","","","","","","1.006","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205263","19.208","0.003","19.208","0.003","7.8129","0.0016","90","","90","","120","","2496.4","0.8","223","2","223","2","","","","","","","","5","P -3","-P 3","147","","","","- C27 H33 I9 N6 Pb3 -","- C27 H33 I9 N6 Pb3 -","- C54 H66 I18 N12 Pb6 -","2","0.333333","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0635","0.0403","","","0.064","0.0721","","","","","","0.933","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7206624","10.9001","0.0007","10.9001","0.0007","8.1598","0.0009","90","","90","","120","","839.6","0.12","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H36 N20 Ni O6 -","- C24 H36 N20 Ni O6 -","- C24 H36 N20 Ni O6 -","1","0.166667","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0417","0.0345","","","0.0787","0.0829","","","","","","1.074","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7207044","13.6224","0.0003","13.6224","0.0003","7.4935","0.0003","90","","90","","120","","1204.27","0.06","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 La2 N6 O27 -","- C30 H36 Cu3 La2 N6 O27 -","- C30 H36 Cu3 La2 N6 O27 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0271","0.0248","","","0.0677","0.0682","","","","","","1.101","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207045","13.6614","0.0019","13.6614","0.0019","7.4147","0.0015","90","","90","","120","","1198.4","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 N6 O27 Pr2 -","- C30 H36 Cu3 N6 O30 Pr2 -","- C30 H36 Cu3 N6 O30 Pr2 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0239","0.0232","","","0.063","0.0637","","","","","","1.078","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207046","13.6319","0.0019","13.6319","0.0019","7.3817","0.0015","90","","90","","120","","1188","0.3","298","2","298","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 N6 Nd2 O27 -","- C30 H36 Cu3 N6 Nd2 O27 -","- C30 H36 Cu3 N6 Nd2 O27 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0296","0.0284","","","0.0733","0.0743","","","","","","1.096","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7210866","22.174","0.003","22.174","0.003","18.102","0.005","90","","90","","120","","7708","3","223","2","223","2","","","","","","","","7","P -3","-P 3","147","","","","- C144 H380 Cl24 In6 N96 Na2 O164 -","- C144 H144 Cl24 In6 N96 Na2 O66 -","- C144 H144 Cl24 In6 N96 Na2 O66 -","1","0.166667","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.0983","0.0603","","","0.1701","0.1829","","","","","","0.94","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7211035","18.7659","0.0011","18.7659","0.0011","11.3114","0.0013","90","","90","","120","","3449.7","0.5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H36 Cu6 O70 P W12 -","- C48 H36 Cu6 O70 P W12 -","- C48 H36 Cu6 O70 P W12 -","1","0.166667","","He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei","Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control","CrystEngComm","2013","15","45","9340","","10.1039/c3ce41136b","","","0.71073","MoKα","","0.1406","0.1045","","","0.3207","0.3418","","","","","","1.187","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211345","11.8441","0.0005","11.8441","0.0005","9.2064","0.0004","90","","90","","120","","1118.47","0.08","291","2","291.15","","","","","","","","","6","P -3","-P 3","147","","","","- C18 H24 Mo N6 O7 Zn -","- C18 H24 Mo N6 O7 Zn -","- C36 H48 Mo2 N12 O14 Zn2 -","2","0.333333","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0651","0.0489","","","0.1428","0.1576","","","","","","1.016","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211486","13.9309","0.0004","13.9309","0.0004","27.6863","0.0012","90","","90","","120","","4653.2","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C12 H15 N15 O15 Zn9 -","- C12 H15 N15 O15 Zn9 -","- C72 H90 N90 O90 Zn54 -","6","1","","Wen, Jiong; Yang, Xiao-Gang; Guo, Wei; Liu, Chun-Sen; Du, Miao","A unique 3-D (3,18)-connected coordination framework based on a new type of {Zn18} double-stranded metallacrown","CrystEngComm","2013","15","47","10171","","10.1039/c3ce41828f","","","0.71073","MoKα","","0.0879","0.0557","","","0.1875","0.2221","","","","","","1.052","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7213274","22.3915","0.0007","22.3915","0.0007","10.4686","0.0005","90","","90","","120","","4545.5","0.3","173","2","173","2","","","","","","","","3","P -3","-P 3","147","","","","- C34 H46 O3 -","- C34 H46 O3 -","- C204 H276 O18 -","6","1","","Dinger, Maarten B.; Scott, Michael J.","Hydroxy-substituted triarylcarbenium bromides. Synthesis, structure, derivatization and facile conversion to highly substituted xanthenes †","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1741","","10.1039/b001032o","","","0.71073","MoKα","","0.0853","0.048","","","0.1111","0.1325","","","","","","1.019","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7216371","13.4688","0.0012","13.4688","0.0012","10.4961","0.0013","90","","90","","120","","1649","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C78 H78 Cl2 Mn N12 O8 -","- C78 H78 Cl2 Mn N12 O8 -","- C78 H78 Cl2 Mn N12 O8 -","1","0.166667","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0791","0.0478","","","0.0919","0.1039","","","","","","1.025","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7218101","15.5913","0.0004","15.5913","0.0004","10.147","0.0003","90","","90","","120","","2136.16","0.1","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","4,4',4''-((1E,1'E,1''E)-((nitrilotris(ethane-2,1-diyl))tris (azanylylidene))tris(methanylylidene))tris(3-methyl-1- (p-tolyl)-1H-pyrazol-5-ol)vanadium(III)","","- C45 H52 N11 O4 V -","- C45 H52.02 N11 O3.99 V -","- C90 H104.04 N22 O7.98 V2 -","2","0.333333","","Jadeja, Rajendrasinh; Parihar, Sanjay; Gupta, Vivek","C3 Symmetric vanadium(III) complexes with O,N-chelating hexadentate tripodal ligands of pyrazolone","RSC Adv.","2014","","","","","10.1039/C4RA04021J","","","1.54184","CuKα","","0.0507","0.0456","","","0.1312","0.1368","","","","","","1.048","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218416","14.6487","0.0007","14.6487","0.0007","9.6629","0.0005","90","","90","","120","","1795.71","0.15","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H72 Cl2 Ni7 O32 -","- C60 H72 Cl2 Ni7 O32 -","- C60 H72 Cl2 Ni7 O32 -","1","0.166667","","zhang, shu hua; Zhao, Ru-Xiao; li, gui; ZHANG, hai yang; Zhang, Chun Lian; Muller, Gilles","Structural Variation from Heterometallic Heptanuclear, Heptanuclear to Cubane Clusters Based on 2-hydroxy-3-ethoxy-benzaldehyde: Effects of pH and Temperature","RSC Adv.","2014","","","","","10.1039/C4RA09687H","","","0.71073","MoKα","","0.0746","0.0547","","","0.1596","0.1865","","","","","","1.008","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218417","14.818","0.0011","14.818","0.0011","9.3912","0.0011","90","","90","","120","","1785.8","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H72 Cl2 Co7 O32 -","- C60 H72 Cl2 Co7 O32 -","- C60 H72 Cl2 Co7 O32 -","1","0.166667","","zhang, shu hua; Zhao, Ru-Xiao; li, gui; ZHANG, hai yang; Zhang, Chun Lian; Muller, Gilles","Structural Variation from Heterometallic Heptanuclear, Heptanuclear to Cubane Clusters Based on 2-hydroxy-3-ethoxy-benzaldehyde: Effects of pH and Temperature","RSC Adv.","2014","","","","","10.1039/C4RA09687H","","","0.71073","MoKα","","0.0757","0.0566","","","0.1464","0.1657","","","","","","1.008","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218976","16.08","0.02","16.08","0.02","6.269","0.008","90","","90","","120","","1404","3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C27 H27 N6 O4 P -","- C27 H27 N6 O4 P -","- C54 H54 N12 O8 P2 -","2","0.333333","","Yadav, Ashok; Ramamoorthy, Boomishankar","Concentration dependent ratiometric turn-on selective fluorescence detection of picric acid in aqueous and non-aqueous media","RSC Adv.","2014","","","","","10.1039/C4RA15207G","","","0.71073","MoKα","","0.1262","0.0863","","","0.2637","0.2874","","","","","","1.082","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7220322","23.7742","0.0003","23.7742","0.0003","13.7571","0.0002","90","","90","","120","","6733.94","0.16","103","2","103","2","","","","","","","","7","P -3","-P 3","147","(TT-TTF)3(PMo12O40)","(TT-TTF)3(PMo12O40)","","- C67 H36 Cl2 Mo12 O40 P S36 -","- C67 H36 Cl2.01 Mo12 O40 P S36 -","- C134 H72 Cl4.02 Mo24 O80 P2 S72 -","2","0.333333","","Zhang, Shangxi; Lu, Xiaofeng; Sun, Jibin; Zhao, Yali; Shao, Xiangfeng","Honeycomb supramolecular frameworks of organic‒inorganic hybrid cluster composed of cation radical and Keggin-type polyoxometalate","CrystEngComm","2015","17","22","4110","","10.1039/C5CE00510H","","","0.71073","MoKα","","0.0352","0.0264","","","0.0527","0.0569","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220929","19.499","0.003","19.499","0.003","10.738","0.002","90","","90","","120","","3535.7","1","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C144 H96 N24 O24 Zn6 -","6","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","0.71073","MoKα","","0.148","0.1078","","","0.305","0.3403","","","","","","1.165","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221088","4.0136","","4.0136","","9.6474","","90","","90","","120","","134.589","","","","","","","","","","","","","4","P -3","-P 3","147","","Bi2 ((U0.65 Zr0.35) O5.72)","","- Bi2 O5.72 U0.65 Zr0.35 -","- Bi2 O5.72 U0.65 Zr0.35 -","- Bi2 O5.72 U0.65 Zr0.35 -","1","0.166667","","Vannier, R.N.; Thery, O.; van Tendeloo, G.; Kinowski, C.; Huve, M.; Suard, E.; Abraham, F.","Zr substituted bismuth uranate","Journal of Materials Chemistry","1999","9","","435","443","","","","","","","","","","","","","","","","","","","","","","has coordinates","141150","2020-10-21","18:00:00",""
"7221800","15.5598","0.0015","15.5598","0.0015","8.2562","0.0009","90","","90","","120","","1731.1","0.3","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-lanthanum(iii)hemi(pentahydrate)","","- C6 H11 F18 La N3 O17.5 S6 -","- C6 F18 La N3 O17.52 S6 -","- C12 F36 La2 N6 O35.04 S12 -","2","0.333333","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.099","0.095","","","0.2136","0.2155","","","","","","1.187","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222569","10.1307","","10.1307","","6.349","","90","","90","","120","","564.306","","","","","","","","","","","","","7","P -3","-P 3","147","","Na (Mn (N C S)3) (H2 O)3","","- C3 H6 Mn N3 Na O3 S3 -","- C3 H6 Mn N3 Na O3 S3 -","- C6 H12 Mn2 N6 Na2 O6 S6 -","2","0.333333","","Biedermann, M.; Hartung, H.; Boehland, H.; Matthaeus, R.","Koordinationsambidenz des Thiocyanations in Alkalithiocyanatomanganat(II)- Hydraten","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223779","19.8319","0.0012","19.8319","0.0012","15.2208","0.0019","90","","90","","120","","5184.4","0.8","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","EuTMBD-AgCl-H2S","","- C54 H68.43 Eu4 O27.22 S18 -","- C54 H68.4358 Eu4 O27.2179 S18 -","- C108 H136.872 Eu8 O54.4358 S36 -","2","0.333333","","He, Jun; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Functional shakeup of metal‒organic frameworks: the rise of the sidekick","CrystEngComm","2015","17","48","9254","","10.1039/C5CE01790D","","","0.71073","MoKα","","0.0805","0.055","","","0.1303","0.1415","","","","","","1.026","","","","has coordinates,has disorder","173653","2020-10-21","18:00:00",""
"7224778","13.0094","0.0006","13.0094","0.0006","5.5129","0.0003","90","","90","","120","","808.03","0.07","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C9 H9 F9 Li O9 P -","- C9 H9 F9 Li O9 P -","- C18 H18 F18 Li2 O18 P2 -","2","0.333333","","Malliakas, Christos D.; Leung, Kevin; Pupek, Krzysztof Z.; Shkrob, Ilya A.; Abraham, Daniel P.","Spontaneous aggregation of lithium ion coordination polymers in fluorinated electrolytes for high-voltage batteries.","Physical chemistry chemical physics : PCCP","2016","18","16","10846","10849","10.1039/c6cp01157h","","","0.71073","MoKα","","0.0506","0.0363","","","0.0966","0.1033","","","","","","1.037","","","","has coordinates","182800","2020-10-21","18:00:00",""
"7226725","24.2823","0.0009","24.2823","0.0009","13.0875","0.0006","90","","90","","120","","6682.9","0.5","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C42 H54 Cl2 N3.33 O3 Pd -","- C42 H52 Cl2 N3.33333 O2 Pd -","- C252 H312 Cl12 N20 O12 Pd6 -","6","1","","Wang, Tao; Liu, Lantao; Xu, Kai; Xie, Huanping; Shen, Hui; Zhao, Wen-Xian","Synthesis and characterization of trinuclear N-heterocyclic carbene-palladium(II) complexes and their applications in the Suzuki-Miyaura cross-coupling reaction","RSC Adv.","2016","","","","","10.1039/C6RA20852E","","","0.71073","MoKα","","0.102","0.0921","","","0.2307","0.2406","","","","","","1.052","","","","has coordinates","186979","2020-10-21","18:00:00",""
"7227241","23.0687","0.0014","23.0687","0.0014","20.7587","0.0017","90","","90","","120","","9567","1.1","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H15 N3 O15 Zn3 -","- C24 H15 N3 O15 Zn3 -","- C144 H90 N18 O90 Zn18 -","6","1","","Li, Qipeng; Luo, Jiagang; Wang, Lei; Qi, Cen; Yang, Yongsheng; Zhang, Xinjun; Qian, Jinjie","Two cage-based zinc-tetracarboxylate frameworks with white-light emission","CrystEngComm","2017","19","2","214","","10.1039/C6CE02281B","","","0.71073","MoKα","","0.1378","0.1126","","","0.2952","0.3127","","","","","","1.007","","","","has coordinates","191553","2020-10-21","18:00:00",""
"7229538","15.553","0.012","15.553","0.012","7.117","0.008","90","","90","","120","","1491","2","343","2","343","2","","","","","","","","5","P -3","-P 3","147","","","","- C15 H36 Br7 Cd2 N3 -","- C15 H36 Br7 Cd2 N3 -","- C30 H72 Br14 Cd4 N6 -","2","0.333333","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.0371","0.0338","","","0.0695","0.0709","","","","","","1.006","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229540","15.358","0.002","15.358","0.002","7.0766","0.0014","90","","90","","120","","1445.5","0.4","223","2","223","2","","","","","","","","5","P -3","-P 3","147","","","","- C15 H36 Br7 Cd2 N3 -","- C15 H36 Br7 Cd2 N3 -","- C30 H72 Br14 Cd4 N6 -","2","0.333333","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.028","0.0268","","","0.0511","0.0515","","","","","","0.974","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229878","17.5595","0.0009","17.5595","0.0009","8.6657","0.0007","90","","90","","120","","2314","0.3","295","2","295","2","","","","","","","","5","P -3","-P 3","147","","","","- C14 H15 N3 O3 S -","- C14 H15 N3 O3 S -","- C84 H90 N18 O18 S6 -","6","1","","Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.","An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release","RSC Advances","2018","8","3","1539","","10.1039/C7RA12104K","","x-ray","0.71073","MoKα","","0.1141","0.0553","","","0.1094","0.1298","","","","","","1.007","","","","has coordinates","204738","2020-10-21","18:00:00",""
"7230873","7.6324","0.0004","7.6324","","7.0554","0.0006","90","","90","","120","","355.94","0.04","95","2","95","2","","","","","","","","6","P -3","-P 3","147","","","","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","1","0.166667","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.6","neutron","","0.0352","0.0348","","","0.066","0.0662","","","","","","1.105","","","","has coordinates","228974","2020-10-21","18:00:00",""
"7230874","7.6399","0.0011","7.6399","0.0011","7.0651","0.0014","90","","90","","120","","357.13","0.1","95","1","95","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","1","0.166667","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","x-ray","0.71073","MoKα","","0.0204","0.0204","","","0.0486","0.0486","","","","","","1.14","","","","has coordinates","228974","2020-10-21","18:00:00",""
"7235174","26.791","0.004","26.791","0.004","10.119","0.002","90","","90","","120","","6289.9","1.8","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C41.33 H25.67 Dy F12 N2 O6.33 -","- C41.32 H25.64 Dy F12 N2 O6.33 -","- C247.92 H153.84 Dy6 F72 N12 O37.98 -","6","1","","Sheng Zhang; Haipeng Wu; Lin Sun; Hongshan Ke; Sanping Chen; Bing Yin; Qing Wei; Desuo Yang; Shengli Gao","Ligand field fine-tuning on the modulation of the magnetic properties and relaxation dynamics of dysprosium(iii) single-ion magnets (SIMs): synthesis, structure, magnetism and ab initio calculations","Journal of Materials Chemistry C","2017","5","","1369","1382","10.1039/C6TC05188J","","","0.71073","MoKα","","0.1382","0.0652","","","0.1243","0.1415","","","","","","1.022","","","","has coordinates,has disorder","231032","2020-10-21","18:00:00",""
"7236515","19.1253","0.0009","19.1253","0.0009","8.5716","0.0008","90","","90","","120","","2715.2","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C22 H14 N4 O4 Zn -","- C22 H14 N4 O4 Zn -","- C132 H84 N24 O24 Zn6 -","6","1","","Deng, Ye; Yao, Zhao-Yu; Wang, Peng; Zhao, Yue; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I.; Sun, Wei-Yin","Sorption and sensing properties of coordination polymers with mixed 1,3,5-tri(1-imidazolyl)benzene and 2,6-naphthalenedicarboxylate ligands","RSC Advances","2017","7","71","44639","","10.1039/C7RA08165K","","","0.71073","MoKα","","0.0476","0.0357","","","0.0891","0.0941","","","","","","1.03","","","","has coordinates,has disorder","236246","2020-10-21","18:00:00",""
"7236911","23.2883","0.0016","23.2883","0.0016","14.1304","0.0011","90","","90","","120","","6636.8","0.8","298","2","298","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H60 N4 O50 Pr4 -","- C60 H40 N4 O40 Pr4 -","- C180 H120 N12 O120 Pr12 -","3","0.5","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0489","0.0369","","","0.0888","0.0923","","","","","","1.021","","","","has coordinates","257468","2020-10-21","18:00:00",""
"7237168","21.8207","0.0004","21.8207","0.0004","6.9043","0.0003","90","","90","","120","","2847","0.14","173","","173","","","","","","","","","6","P -3","-P 3","147","hexakis(1-aminotetrazolyl)copper(II) perchlorate","hexakis(1-aminotetrazolyl)copper(II) perchlorate","","- C6 H18 Cl2 Cu N30 O8 -","- C6 H18 Cl2 Cu N30 O8 -","- C24 H72 Cl8 Cu4 N120 O32 -","4","0.666667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0931","0.0628","","","0.1674","0.1925","","","","","","1.042","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237174","18.8934","0.0004","18.8934","0.0004","6.983","0.0002","90","","90","","120","","2158.7","0.09","173","2","173","2","","","","","","","","6","P -3","-P 3","147","hexakis(1-aminotetrazolyl)iron(II) perchlorate","hexakis(1-aminotetrazolyl)iron(II) perchlorate","","- C6 H18 Cl2 Fe N30 O8 -","- C6 H18 Cl2 Fe N30 O8 -","- C18 H54 Cl6 Fe3 N90 O24 -","3","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0722","0.0637","","","0.1799","0.1923","","","","","","1.059","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237178","18.908","0.005","18.908","0.005","6.992","0.005","90","","90","","120","","2164.8","1.7","173","2","173","2","","","","","","","","6","P -3","-P 3","147","hexakis(1-aminotetrazolyl)zinc(II) perchlorate","hexakis(1-aminotetrazolyl)zinc(II) perchlorate","","- C6 H18 Cl2 N30 O8 Zn -","- C6 H18 Cl2 N30 O8 Zn -","- C18 H54 Cl6 N90 O24 Zn3 -","3","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.075","0.0661","","","0.1925","0.2024","","","","","","1.039","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7238679","15.5323","0.0006","15.5323","0.0006","11.4631","0.0006","90","","90","","120","","2394.99","0.18","200","2","200","2","","","","","","","","4","P -3","-P 3","147","","","","- C48 H49 N5 O9 -","- C48 H49 N5 O9 -","- C96 H98 N10 O18 -","2","0.333333","","Singh, Ashutosh S.; Sun, Shih-Sheng","Reversible encapsulation of a nitrate guest via hydrogen-bonded self-assembled capsule formation by a flexible tripodal receptor in polar solvent through dynamic self-assembly","RSC Advances","2012","2","25","9502","","10.1039/c2ra20759a","","","0.71073","MoKα","","0.2109","0.1807","","","0.4861","0.4985","","","","","","1.079","","","","has coordinates","244286","2020-10-21","18:00:00",""
"7240169","16.8999","0.0001","16.8999","0.0001","10.9253","0.0001","90","","90","","120","","2702.29","0.03","150","","150","","","","","","","","synthesized","5","P -3","-P 3","147","","","","- C44 H60 I6 N4 O3 -","- C44 H60 I6 N4 O3 -","- C88 H120 I12 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","1.54184","CuKα","","0.0565","0.0555","","0.1516","0.1507","0.1516","","","","","","1.1564","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240170","16.5773","0.0001","16.5773","0.0001","10.4913","0.0001","90","","90","","120","","2496.82","0.03","150","0.1","150","0.1","","","","","","","","5","P -3","-P 3","147","","","","- C44 H60 Br6 N4 O3 -","- C44 H59.9997 Br6 N4 O3 -","- C88 H119.999 Br12 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","x-ray","1.54184","CuKα","","0.0431","0.0406","","","0.1358","0.139","","","","","","1.192","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240171","16.639","0.002","16.639","0.002","10.57","0.002","90","","90","","120","","2534.3","0.6","100","","100","","","","","","","","","6","P -3","-P 3","147","","","","- C44 H60 Br3 I3 N4 O3 -","- C44 H60 Br3 I3 N4 O3 -","- C88 H120 Br6 I6 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","Synchrotron","","0.0441","0.0427","","","0.1059","0.107","","","","","","1.0414","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240448","12.925","0.001","12.925","0.001","7.9339","0.0007","90","","90","","120","","1147.83","0.16","300","","300","","","","","","","","","4","P -3","-P 3","147","K-PreAFY","","","- Al6 K6 O41.38 P8 -","- Al6 K6 O41.38 P8 -","- Al6 K6 O41.38 P8 -","1","0.166667","","Maeda, Kazuyuki; Wakui, Kentaro; Arakawa, Kyosuke; Kondo, Atsushi","First Preparation of Microporous AFY-type MeAPO by Topotactic Pillaring of Lamellar Aluminophosphate Precursor","CrystEngComm","2020","","","","","10.1039/D0CE00644K","powder diffraction","","0.7994","synchrotron","","0.00859","","","","","","0.00851","0.01792","6.4863","","","","","","","has coordinates","251517","2020-10-21","18:00:00",""
"7241218","24.293","0.008","24.293","0.008","9.537","0.005","90","","90","","120","","4874","3","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C132 H123 Mn18 N18 O73 -","- C132 H108 Mn18 N18 O66 -","- C132 H108 Mn18 N18 O66 -","1","0.166667","","Li, Ning-Fang; Han, Ye-Min; Li, Jia-Nian; Cao, Jia-Peng; Du, Ze-Yu; Xu, Yan","Two 3D Mn-based coordination polymers: synthesis, structure and magnetocaloric effect","RSC Advances","2020","10","56","33628","33634","10.1039/D0RA05926A","","","0.71073","MoKα","","0.0459","0.0365","","","0.1071","0.1114","","","","","","1.081","","","","has coordinates,has disorder","258020","2020-10-21","18:00:00",""
"7242296","22.2701","0.0006","22.2701","0.0006","13.1106","0.0004","90","","90","","120","","5631.2","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C27 H14 N6 O11 S Zn3 -","- C27 H14 N6 O11 S Zn3 -","- C162 H84 N36 O66 S6 Zn18 -","6","1","","Li, Le-Qian; Yao, Shu-Li; Tian, Xue-Mei; Zheng, Teng-Fei; Li, Jin-Yan; Liu, Sui-Jun; Chen, Jing-Lin; Yu, Mei-Hui; Wen, He-Rui","A fluorescence red-shift and turn-on sensor for acetylacetone derived from ZnII-based metal‒organic framework with new topology","CrystEngComm","2021","23","13","2532","2537","10.1039/D1CE00127B","","","0.71073","MoKα","","0.0807","0.0766","","","0.2091","0.2146","","","","","","1.033","","","","has coordinates","265969","2021-06-05","18:13:00",""
"7242740","15.2163","0.0006","15.2163","0.0006","8.191","0.0004","90","","90","","120","","1642.43","0.12","273.15","","273.15","","","","","","","","","5","P -3","-P 3","147","","","","- C33 H31 B K N9 -","- C33 H31 B K N9 -","- C66 H62 B2 K2 N18 -","2","0.333333","","Thomas, Jarrod R.; Sulway, Scott A.","In situ tracking and characterisation of scorpionate ligands via11B-NMR spectroscopy","RSC Advances","2021","11","27","16158","16160","10.1039/D0RA10826J","","","0.71073","MoKα","","0.0646","0.0466","","","0.1219","0.1354","","","","","","1.095","","","","has coordinates,has disorder","264752","2021-05-01","05:05:12",""
"7243740","15.57","0.003","15.57","0.003","10.337","0.003","90","","90","","120","","2170.2","0.9","296","2","296","2","","","","","","","","8","P -3","-P 3","147","","SiWCu","","- C18 H67 Cu3 K3 N24 O76 Si W12 -","- C18 H18 Cu3 K3 N24 O76 Si W12 -","- C18 H18 Cu3 K3 N24 O76 Si W12 -","1","0.166667","","Chang, Shenzhen; Chen, Yanhong; An, Haiyan; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui","Polyoxometalate-based supramolecular porous frameworks with dual-active centers towards highly efficient synthesis of functionalized p-benzoquinones","Green Chemistry","2021","23","21","8591","8603","10.1039/D1GC03061B","","","0.71073","MoKα","","0.0475","0.0445","","","0.1258","0.1284","","","","","","1.075","","","","has coordinates,has disorder","270462","2021-11-06","20:14:41",""
"7244880","12.1766","0.0012","12.1766","0.0012","6.9569","0.0011","90","","90","","120","","893.3","0.19","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H36 B2 F8 N12 Zn -","- C30 H36 B2 F8 N12 Zn -","- C30 H36 B2 F8 N12 Zn -","1","0.166667","","Lee, Hyemin; Kim, Min-Yeong; Lee, Haeri","Structural and anionic effects of microcrystalline Zn-CPs on 4-nitrophenol sensing performances","RSC Advances","2022","12","21","12957","12966","10.1039/D2RA01239A","","","0.71073","MoKα","","0.0845","0.0666","","","0.143","0.1518","","","","","","1.081","","","","has coordinates","274828","2022-05-03","01:42:48",""
"7244881","12.3005","0.0017","12.3005","0.0017","6.731","0.0014","90","","90","","120","","882","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H36 Cl2 N12 O8 Zn -","- C30 H36 Cl2 N12 O8 Zn -","- C30 H36 Cl2 N12 O8 Zn -","1","0.166667","","Lee, Hyemin; Kim, Min-Yeong; Lee, Haeri","Structural and anionic effects of microcrystalline Zn-CPs on 4-nitrophenol sensing performances","RSC Advances","2022","12","21","12957","12966","10.1039/D2RA01239A","","","0.65","synchrotron","","0.044","0.0424","","","0.1168","0.1178","","","","","","1.159","","","","has coordinates","274828","2022-05-03","01:42:59",""
"7245358","24.5947","0.0004","24.5947","0.0004","7.8897","0.0001","90","","90","","120","","4133.08","0.11","100","","100","","","","","","","","","7","P -3","-P 3","147","","","","- C12 H29.33 F6 O9 P3 S2 Sn -","- C11 H27 F6 O9 P3 S2 Sn -","- C66 H162 F36 O54 P18 S12 Sn6 -","6","1","","Cairns, Kelsey R.; King, Rhys P.; Levason, William; Reid, Gillian","Self-assembly of [Sn(OPMe3)3(CF3SO3)2]6 metallocyclic Sn(ii) hexamer stacks with CF3-lined channel interiors","CrystEngComm","2022","","","","","10.1039/D2CE01029A","","","0.71073","MoKα","","0.0223","0.0193","","","0.0472","0.048","","","","","","1.043","","","","has coordinates,has disorder","277311","2022-08-18","22:34:34",""
"7248023","14.608","0.002","14.608","0.002","24.244","0.005","90","","90","","120","","4480.4","1.3","153","2","153","2","","","","","","","","5","P -3","-P 3","147","","","","- C74 H84 N14 Ni3 O31 -","- C66 H60 N12 Ni3 O24 -","- C132 H120 N24 Ni6 O48 -","2","0.333333","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.7","synchrotron","","0.1829","0.1458","","","0.3727","0.4034","","","","","","1.389","","","","has coordinates","290148","2024-03-04","20:08:16",""
"7700946","17.5514","0.0004","17.5514","0.0004","13.1932","0.0006","90","","90","","120","","3519.7","0.2","123","2","123","2","","","","","","","","6","P -3","-P 3","147","","","","- C45 H74 Cl2 Ho3 N9 O18 -","- C45 H73.9996 Cl1.9999 Ho3 N9 O17.9998 -","- C90 H147.999 Cl3.9998 Ho6 N18 O35.9996 -","2","0.333333","","Langley, Stuart K.; Vignesh, Kuduva R.; Gupta, Tulika; Gartshore, Christopher J.; Rajaraman, Gopalan; Forsyth, Craig M.; Murray, Keith S.","New examples of triangular terbium(iii) and holmium(iii) and hexagonal dysprosium(iii) single molecule toroics.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15657","15667","10.1039/c9dt02419k","","","0.71073","MoKα","","0.0411","0.0328","","","0.0873","0.0912","","","","","","1.049","","","","has coordinates,has disorder","223905","2020-10-21","18:00:00",""
"7700948","17.5762","0.0006","17.5762","0.0006","13.1892","0.0007","90","","90","","120","","3528.6","0.3","123","2","123","2","","","","","","","","6","P -3","-P 3","147","","","","- C45 H74 Cl2 N9 O18 Tb3 -","- C45 H73.9996 Cl1.9999 N9 O17.9998 Tb3 -","- C90 H147.999 Cl3.9998 N18 O35.9996 Tb6 -","2","0.333333","","Langley, Stuart K.; Vignesh, Kuduva R.; Gupta, Tulika; Gartshore, Christopher J.; Rajaraman, Gopalan; Forsyth, Craig M.; Murray, Keith S.","New examples of triangular terbium(iii) and holmium(iii) and hexagonal dysprosium(iii) single molecule toroics.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15657","15667","10.1039/c9dt02419k","","","0.71073","MoKα","","0.0387","0.0351","","","0.0881","0.0916","","","","","","1.101","","","","has coordinates,has disorder","223905","2020-10-21","18:00:00",""
"7700949","17.5986","0.0003","17.5986","0.0003","13.1888","0.0005","90","","90","","120","","3537.47","0.16","123","2","123","2","","","","","","","","6","P -3","-P 3","147","","","","- C45 H74 Cl2 Dy3 N9 O18 -","- C45 H73.9996 Cl1.9999 Dy3 N9 O17.9998 -","- C90 H147.999 Cl3.9998 Dy6 N18 O35.9996 -","2","0.333333","","Langley, Stuart K.; Vignesh, Kuduva R.; Gupta, Tulika; Gartshore, Christopher J.; Rajaraman, Gopalan; Forsyth, Craig M.; Murray, Keith S.","New examples of triangular terbium(iii) and holmium(iii) and hexagonal dysprosium(iii) single molecule toroics.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15657","15667","10.1039/c9dt02419k","","","0.71073","MoKα","","0.0252","0.0233","","","0.0683","0.0693","","","","","","1.122","","","","has coordinates,has disorder","223905","2020-10-21","18:00:00",""
"7701389","15.74","0.002","15.74","0.002","6.7581","0.0009","90","","90","","120","","1450","0.3","88","2","88","2","","","","","","","","4","P -3","-P 3","147","","","","- C25 H42 Si3 Th -","- C25 H41.9997 Si3 Th -","- C50 H83.9994 Si6 Th2 -","2","0.333333","","Wedal, Justin C.; Bekoe, Samuel; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","In Search of Tris(Trimethylsilylcyclopentadienyl) Thorium","Dalton Transactions","2019","","","","","10.1039/C9DT03674A","","","0.71073","MoKα","","0.0162","0.0143","","","0.0298","0.0303","","","","","","1.046","","","","has coordinates","219434","2020-10-21","18:00:00",""
"7701483","12.134","0.002","12.134","0.002","11.246","0.002","90","","90","","120","","1434","0.4","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C21 H18 N P3 S6 -","- C21 H18 N P3 S6 -","- C42 H36 N2 P6 S12 -","2","0.333333","","Ould, Darren; Tran, Thao Thi-Phuong; Rawson, Jeremy Michael; Melen, Rebecca","Structure-property-reactivity studies on dithiaphospholes","Dalton Transactions","2019","","","","","10.1039/C9DT03577J","","","0.71073","MoKα","","0.1047","0.0984","","","0.2682","0.2838","","","","","","1.093","","","","has coordinates","223275","2020-10-21","18:00:00",""
"7701805","14.6951","0.0001","14.6951","0.0001","11.2744","0.0001","90","","90","","120","","2108.48","0.03","180","0.1","180","0.1","","","","","","","","7","P -3","-P 3","147","","","","- C21 H63 Eu N3 O P Si6 -","- C7 H21 Eu0.333333 N O0.333333 P0.333333 Si2 -","- C42 H126 Eu2 N6 O2 P2 Si12 -","6","1","","Li, Yangjuan; Chen, xiuting; gong, yu","Synthesis of a Dinuclear Europium (III) Complex through Deprotonation and Oxygen-Atom Transfer of Trimethylamine N-Oxide","Dalton Transactions","2019","","","","","10.1039/C9DT04234B","","x-ray","1.54184","CuKα","","0.0353","0.0307","","","0.079","0.0806","","","","","","1.063","","","","has coordinates","223395","2020-10-21","18:00:00",""
"7702968","30.3009","0.0005","30.3009","0.0005","5.97018","0.00011","90","","90","","120","","4747.11","0.14","100","0.1","100","0.1","","","","","","","","4","P -3","-P 3","147","","","","- C12 H14 O Ru -","- C12 H14 O Ru -","- C216 H252 O18 Ru18 -","18","3","","Ismail, Media K.; Armstrong, Katie A.; Hodder, Samantha L.; Horswell, Sarah L.; Male, Louise; Nguyen, Huy V.; Wilkinson, Edward A.; Hodges, Nikolas J.; Tucker, James H. R.","Organometallic nucleoside analogues: effect of the metallocene metal atom on cancer cell line toxicity.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1181","1190","10.1039/c9dt04174e","","x-ray","1.54184","CuKα","","0.0518","0.0445","","","0.0927","0.0953","","","","","","1.16","","","","has coordinates","247723","2020-10-21","18:00:00",""
"7705683","46.3247","0.0005","46.3247","0.0005","12.9618","0.0002","90","","90","","120","","24089.1","0.5","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","Ga(PPMe3)(Me2IPr)[(NDipp)2C12H5]*0.66OEt2","","- C52.67 H75.67 Ga N4 O0.67 P2 -","- C52.6667 H75.6667 Ga N4 O0.666667 P2 -","- C948 H1362 Ga18 N72 O12 P36 -","18","3","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0833","0.0754","","","0.1845","0.1891","","","","","","1.175","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7706422","4.5998","0.0005","4.5998","0.0005","7.7037","0.001","90","","90","","120","","141.16","0.03","293","2","293.15","","","","","","","","","6","P -3","-P 3","147","","","","- B2 Ba Be2 F2 O6 Zn -","- B2 Ba Be2 F2 O6 Zn -","- B2 Ba Be2 F2 O6 Zn -","1","0.166667","","Guo, Ruixin; Liu, Xiaomeng; Tao, Ce; Tang, Changcheng; Xia, Mingjun; Liu, Lijuan; Lin, Zheshuai; Wang, Xiaoyang","BaZnBe<sub>2</sub>(BO<sub>3</sub>)<sub>2</sub>F<sub>2</sub>: a novel zinc-beryllium borate with SBBO-type structure overcoming the polymorphism problem.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2138","2142","10.1039/d0dt04153j","","","0.71073","MoKα","","0.0211","0.0203","","","0.049","0.05","","","","","","1.113","","","","has coordinates","262637","2021-03-05","02:03:17",""
"7706697","25.4756","0.0005","25.4756","0.0005","13.9849","0.0004","90","","90","","120","","7860.3","0.3","100","2","100.15","","","","","","","","","7","P -3","-P 3","147","","","","- C104 H94 Cl4 Cu8 F12 N6 P8 -","- C104 H94.0002 Cl4 Cu8 F12 N6 P8 -","- C312 H282.001 Cl12 Cu24 F36 N18 P24 -","3","0.5","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.1232","0.0769","","","0.2073","0.2367","","","","","","1.012","","","","has coordinates,has disorder","263766","2021-04-05","14:51:31",""
"7706988","24.2698","0.0006","24.2698","0.0006","11.2278","0.0004","90","","90","","120","","5727.4","0.3","150","2","150","2","","","","","","","","8","P -3","-P 3","147","","","","- C89 H150 Cl9 Cr3 F9 N13 O12 S3 -","- C89.0072 H150.003 Cl9.0024 Cr3 F9 N13 O12 S3 -","- C178.014 H300.007 Cl18.0048 Cr6 F18 N26 O24 S6 -","2","0.333333","","Schuman, Ashley J.; Robey, Sarah F. T.; Judkins, Eileen C.; Zeller, Matthias; Ren, Tong","A unique series of chromium(iii) mono-alkynyl complexes supported by tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4936","4943","10.1039/d1dt00707f","","","0.71073","MoKα","","0.0765","0.0553","","","0.1447","0.155","","","","","","1.041","","","","has coordinates,has disorder","266074","2021-06-05","18:51:00",""
"7707266","34.2443","0.0004","34.2443","0.0004","13.7584","0.0002","90","","90","","120","","13972.5","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- Cu1.33 Nb3 O62.33 P2 W15 -","- Cu1.33333 Nb3 O71.3333 P2 W15 -","- Cu8 Nb18 O428 P12 W90 -","6","1","","Xiao, Wanru; Li, Shujun; Zhao, Yue; Ma, Yubin; Li, Na; Zhang, Jie; Chen, Xuenian","Multinuclear transition metal-containing polyoxometalates constructed from Nb/W mixed-addendum precursors: synthesis, structures and catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8690","8695","10.1039/d1dt00924a","","x-ray","1.54184","CuKα","","0.0998","0.0805","","","0.2105","0.2266","","","","","","1.061","","","","has coordinates","267172","2021-07-05","17:37:42",""
"7707267","33.8321","0.0005","33.8321","0.0005","13.5769","0.0003","90","","90","","120","","13458.3","0.4","170","0.1","170","0.1","","","","","","","","7","P -3","-P 3","147","","","","- C9 H0.5 Co4 Nb9 O219.5 P6 W45 -","- Co4 Nb9 O194 P6 W45 -","- Co8 Nb18 O388 P12 W90 -","2","0.333333","","Xiao, Wanru; Li, Shujun; Zhao, Yue; Ma, Yubin; Li, Na; Zhang, Jie; Chen, Xuenian","Multinuclear transition metal-containing polyoxometalates constructed from Nb/W mixed-addendum precursors: synthesis, structures and catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8690","8695","10.1039/d1dt00924a","","x-ray","1.54184","CuKα","","0.0848","0.0647","","","0.1729","0.1877","","","","","","1.023","","","","has coordinates","267172","2021-07-05","17:37:42",""
"7707268","34.2369","0.0004","34.2369","0.0004","13.7551","0.0002","90","","90","","120","","13963.1","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P -3","-P 3","147","","","","- Nb9 O212 P6 W45 Zn4 -","- Nb9 O212 P6 W45 Zn4 -","- Nb18 O424 P12 W90 Zn8 -","2","0.333333","","Xiao, Wanru; Li, Shujun; Zhao, Yue; Ma, Yubin; Li, Na; Zhang, Jie; Chen, Xuenian","Multinuclear transition metal-containing polyoxometalates constructed from Nb/W mixed-addendum precursors: synthesis, structures and catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8690","8695","10.1039/d1dt00924a","","x-ray","1.54184","CuKα","","0.1023","0.0877","","","0.2131","0.2235","","","","","","1.045","","","","has coordinates,has disorder","267172","2021-07-05","17:37:42",""
"7707269","34.575","0.0003","34.575","0.0003","13.6491","0.0002","90","","90","","120","","14130.5","0.3","150","0.1","150","0.1","","","","","","","","7","P -3","-P 3","147","","","","- C6 H6 Mn4 Nb9 O209 P6 W45 -","- C6 H6 Mn4 Nb9 O209 P6 W45 -","- C12 H12 Mn8 Nb18 O418 P12 W90 -","2","0.333333","","Xiao, Wanru; Li, Shujun; Zhao, Yue; Ma, Yubin; Li, Na; Zhang, Jie; Chen, Xuenian","Multinuclear transition metal-containing polyoxometalates constructed from Nb/W mixed-addendum precursors: synthesis, structures and catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8690","8695","10.1039/d1dt00924a","","x-ray","1.54184","CuKα","","0.1223","0.0899","","","0.2073","0.2226","","","","","","1.062","","","","has coordinates","267172","2021-07-05","17:37:42",""
"7707838","19.3128","0.0019","19.3128","0.0019","22.471","0.003","90","","90","","120","","7258.4","1.4","150","","150","","","","","","","","","6","P -3","-P 3","147","","","","- C112 H197 Co8 Ge7 O25 P7 -","- C108 H189 Co8 Ge7 O24 P7 -","- C216 H378 Co16 Ge14 O48 P14 -","2","0.333333","","Preißing, Lars; Behling, Elias; Schnepf, Andreas","GeCl<sub>x</sub>[Co(CO)<sub>3</sub>PR<sub>3</sub>]<sub>4-x</sub> (x = 0-3; R = <sup>n</sup>Pr, <sup>n</sup>Bu): from cobalt substituted germanes to novel binary cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10789","10797","10.1039/d1dt02016a","","x-ray","0.71073","MoKα","","0.1215","0.0559","","","0.1331","0.1647","","","","","","1.034","","","","has coordinates,has disorder","268792","2021-09-06","11:22:12",""
"7708515","4.89","0.0005","4.89","0.0005","7.7146","0.001","90","","90","","120","","159.76","0.03","300","","300","","","","","","","","","5","P -3","-P 3","147","","","","- B2 Ba F2 O6 Zn3 -","- B2 Ba F2 O6 Zn3 -","- B2 Ba F2 O6 Zn3 -","1","0.166667","","Qiu, Haotian; Xia, Ming; Cai, Wenbing; Yang, Zhihua; Liu, Yanli; Mutailipu, Miriding; Pan, Shilie","BaZn<sub>3</sub>(BO<sub>3</sub>)<sub>2</sub>F<sub>2</sub>: a new beryllium-free zincoborate with a KBBF-type structure.","Dalton transactions (Cambridge, England : 2003)","2021","50","38","13216","13219","10.1039/d1dt02356j","","","0.71073","MoKα","","0.0102","0.0098","","","0.0245","0.0245","","","","","","1.218","","","","has coordinates","269803","2021-10-06","23:09:34",""
"7708981","23.256","0.004","23.256","0.004","19.964","0.003","90","","90","","120","","9351","3","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C51 H33 N3 O33 Zn6 -","- C51 H33 N3 O33 Zn6 -","- C153 H99 N9 O99 Zn18 -","3","0.5","","Wang, Kang; Duan, Yuhan; Chen, Jiajing; Wang, Haiying; Liu, Hui-Yan","Dye encapsulated zinc-based metal-organic framework as a dual-emission sensor for highly sensitive detection of antibiotics","Dalton Transactions","2021","","","","","10.1039/D1DT03950D","","","0.71073","MoKα","","0.1611","0.1076","","","0.2515","0.2871","","","","","","1.07","","","","has coordinates,has disorder","270952","2021-12-01","00:02:51",""
"7709061","14.86","0.0009","14.86","0.0009","16.7011","0.0011","90","","90","","120","","3193.8","0.3","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C45 H102 N3 O12 Si3 Y -","- C45 H102 N3 O12 Si3 Y -","- C90 H204 N6 O24 Si6 Y2 -","2","0.333333","","Mortis, Alexandros; Maichle-Moessmer, Caecilia; Anwander, Reiner","Yttrium tris(trimethylsilylmethyl) complexes grafted onto MCM-48 mesoporous silica nanoparticles","Dalton Transactions","2022","","","","","10.1039/D1DT03876A","","","0.71073","MoKα","","0.0489","0.0341","","","0.0774","0.083","","","","","","1.037","","","","has coordinates,has disorder","271334","2021-12-10","23:54:11",""
"7709343","22.8908","0.0004","22.8908","0.0004","13.8848","0.0003","90","","90","","120","","6300.7","0.2","113","2","113","2","","","","","","","","6","P -3","-P 3","147","","","","- C6.58 H10 Cu0.44 F2.67 N3.33 P0.44 -","- C6.58311 H10 Cu0.444444 F2.66667 N3.33333 P0.444444 -","- C177.744 H270 Cu12 F72 N90 P12 -","27","4.5","","Chen, Chih-Yu; Tsai, Ming-Li","Tris(imidazolyl) dicopper(i) complex and its reactivity to exert the catalytic oxidation of sterically hindered phenol substrates via a [Cu2O]2+ core","Dalton Transactions","2022","","","","","10.1039/D1DT04084G","","x-ray","0.71073","MoKα","","0.138","0.0874","","","0.217","0.247","","","","","","1.026","","","","has coordinates,has disorder","272172","2022-01-20","23:58:42",""
"7709450","13.171","0.003","13.171","0.003","8.265","0.002","90","","90","","120","","1241.7","0.5","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C27 H27 Al O9 -","- C27 H27 Al O9 -","- C54 H54 Al2 O18 -","2","0.333333","","Petrus, Rafał; Utko, Józef; Petrus, Joanna Katarzyna; Awashra, Mohammad; Lis, Tadeusz","Use of group 13 aryloxides for the synthesis of green chemicals and oxide materials","Dalton Transactions","2022","","","","","10.1039/D1DT03777C","","x-ray","0.71073","MoKα","","0.0444","0.0366","","","0.0885","0.0951","","","","","","1.096","","","","has coordinates","272894","2022-02-10","00:00:44",""
"7709827","26.3933","0.001","26.3933","0.001","25.7305","0.001","90","","90","","120","","15522.7","1","120.01","","120.01","","","","","","","","","10","P -3","-P 3","147","","","","- C113.2 H131.8 B4 Cl8 Cu12 F6 N29.4 O7.4 S14 W4 -","- C113.2 H131.8 B4 Cl8 Cu12 F6 N29.4 O7.4 S14 W4 -","- C339.6 H395.4 B12 Cl24 Cu36 F18 N88.2 O22.2 S42 W12 -","3","0.5","","Tan, Yi; Wang, Zhi-Kang; Lang, Fei-Fan; Yu, Hui-Min; Chen, Cao; Ni, Chun-Yan; Wang, Meng-Yi; Song, Ying-Lin; Lang, Jian-Ping","Construction of cluster-based supramolecular wire and rectangle","Dalton Transactions","2022","","","","","10.1039/D2DT00344A","","","0.71073","MoKα","","0.0778","0.0535","","","0.1346","0.1665","","","","","","1.115","","","","has coordinates,has disorder","273944","2022-03-24","00:00:16",""
"7710006","8.8526","0.0004","8.8526","0.0004","9.6749","0.0004","90","","90","","120","","656.63","0.05","140","0.1","140","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C6 H24 N6 Ni O4 S -","- C6 H24 N6 Ni O4 S -","- C12 H48 N12 Ni2 O8 S2 -","2","0.333333","","Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun","A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion","Dalton Transactions","2022","","","","","10.1039/D2DT00506A","","x-ray","0.71073","MoKα","","0.0377","0.0376","","","0.0991","0.0992","","","","","","1.124","","","","has coordinates","274465","2022-04-11","23:22:12",""
"7710007","9.1148","0.0004","9.1148","0.0004","9.5425","0.0005","90","","90","","120","","686.57","0.06","139.99","0.1","139.99","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C6 H24 Cd N6 O4 S -","- C6 H24 Cd N6 O4 S -","- C12 H48 Cd2 N12 O8 S2 -","2","0.333333","","Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun","A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion","Dalton Transactions","2022","","","","","10.1039/D2DT00506A","","x-ray","0.71073","MoKα","","0.0488","0.0474","","","0.1151","0.1156","","","","","","1.15","","","","has coordinates","274465","2022-04-11","23:22:12",""
"7710299","17.118","0.003","17.118","0.003","13.766","0.006","90","","90","","120","","3493.4","1.8","296","2","296.15","","","","","","","","","5","P -3","-P 3","147","","","","- C49.5 H35.51 Cd3 N6.5 O22.5 -","- C48 H24 Cd2.9999 N6 O18 -","- C96 H48 Cd5.9998 N12 O36 -","2","0.333333","","Xiao, Yao; You, Zi Xin; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan","Three-pole wheel paddle luminescent metal organic frameworks (LMOFs) based on the oxygen substituted triazine tricarboxylic acid ligand: recognition and detection of small drug molecules and aromatic amine molecules.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9336","9347","10.1039/d2dt01032a","","","0.71073","MoKα","","0.1385","0.0965","","","0.2761","0.2965","","","","","","0.979","","","","has coordinates","276613","2022-07-06","08:07:56",""
"7711522","35.0101","0.0008","35.0101","0.0008","21.4586","0.0005","90","","90","","120","","22778.2","0.9","110","","110","","","","","","","","","7","P -3","-P 3","147","","","","- C137.62 H129.24 Cl3.24 I1.01 N P8 Pt4 -","- C137.62 H129.24 Cl3.24 I1.012 N P8 Pt4 -","- C825.72 H775.44 Cl19.44 I6.072 N6 P48 Pt24 -","6","1","","Collins, Brenna K.; Bhuvanesh, Nattamai; Gladysz, John A.","A new supramolecular bonding motif involving NH bonds of ammonium salts and macrocycles derived from platinum corners and butadiynediyl linkers","Dalton Transactions","2022","","","","","10.1039/D2DT02680E","","","0.71073","MoKα","","0.0732","0.0506","","","0.1286","0.1481","","","","","","1.049","","","","has coordinates,has disorder","278719","2022-10-21","22:29:34",""
"7712755","10.4987","0.0003","10.4987","0.0003","11.6734","0.0004","90","","90","","120","","1114.29","0.06","120","2","120.15","","","","","","","","","5","P -3","-P 3","147","","","","- C12 H F27.02 O3 Si -","- C12 H F27.0276 O3 Si -","- C24 H2 F54.0552 O6 Si2 -","2","0.333333","","Feige, Felix; Malaspina, Lorraine A.; Kleemiss, Florian; Kögel, Julius F.; Ketkov, Sergey Yu.; Hupf, Emanuel; Grabowsky, Simon; Beckmann, Jens","An Investigation into the Brønsted Acidity of the Perfluorinated Alkoxy Silanes {(F3C)3CO}3SiH and {(F6C5)3CO}2Si(Cl)H","Dalton Transactions","2023","","","","","10.1039/D3DT00299C","","","0.71073","MoKα","","0.0374","0.0298","","","0.0867","0.0925","","","","","","1.032","","","","has coordinates,has disorder","282601","2023-04-11","23:03:14",""
"7713208","23.461","0.002","23.461","0.002","14.73","0.002","90","","90","","120","","7021.4","1.3","120","2","120","","","","","","","","","6","P -3","-P 3","147","","","","- As6 Cs15 K21 O216 Tb6 W54 -","- As6 Cs15 K20.9998 O216 Tb6 W54 -","- As6 Cs15 K20.9998 O216 Tb6 W54 -","1","0.166667","","Kapurwan, Sandhya; Sahu, Pradip Kumar Kumar; Raizada, Mukul; Kharel, Ranjan; Konar, Sanjit","[α-AsW9O33]9- bridged hexagonal cluster of Ln (III) showing field induced SMM behavior: an experimental and theoretical insight","Dalton Transactions","2023","","","","","10.1039/D3DT00406F","","","0.71073","MoKα","","0.1501","0.0849","","","0.1993","0.2624","","","","","","1.091","","","","has coordinates,has disorder","284079","2023-05-30","23:00:08",""
"7713827","23.8746","0.0004","23.8746","0.0004","10.3635","0.0002","90","","90","","120","","5115.75","0.16","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C40 H48 Cl Cr N -","- C40 H48 Cl Cr N -","- C240 H288 Cl6 Cr6 N6 -","6","1","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0643","0.0429","","","0.0987","0.1077","","","","","","1.024","","","","has coordinates,has disorder","285917","2023-08-30","23:02:48",""
"7714412","26.672","0.005","26.672","0.005","13.683","0.003","90","","90","","120","","8430","3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C30 H26 N6 O5 Zn -","- C30 H26 N6 O5 Zn -","- C180 H156 N36 O30 Zn6 -","6","1","","Zhong, Minli; Xia, Siyao; Liu, Sanmei; Jin, Caiju; Deng, Shengjun; Xiao, Weiming; Ding, Shunmin; Chen, Chao","Two Novel Nitrogen-rich Metal-organic Nanotubes: Syntheses, Structures and Selective Adsorption toward Rare Earth","Dalton Transactions","2023","","","","","10.1039/D3DT02606J","","","0.71073","MoKα","","0.1325","0.0786","","","0.2153","0.2725","","","","","","1.053","","","","has coordinates,has disorder","287478","2023-11-08","00:02:12",""
"7714413","26.7528","0.0012","26.7528","0.0012","13.4196","0.0012","90","","90","","120","","8317.8","0.9","100","2","100.15","","","","","","","","","5","P -3","-P 3","147","","","","- C29 H26 N6 O5 Zn -","- C29 H26 N6 O5 Zn -","- C174 H156 N36 O30 Zn6 -","6","1","","Zhong, Minli; Xia, Siyao; Liu, Sanmei; Jin, Caiju; Deng, Shengjun; Xiao, Weiming; Ding, Shunmin; Chen, Chao","Two Novel Nitrogen-rich Metal-organic Nanotubes: Syntheses, Structures and Selective Adsorption toward Rare Earth","Dalton Transactions","2023","","","","","10.1039/D3DT02606J","","","0.71073","MoKα","","0.086","0.0567","","","0.1775","0.2004","","","","","","1.041","","","","has coordinates,has disorder","287478","2023-11-08","00:02:13",""
"7714703","11.6236","0.0018","11.6236","0.0018","12.2134","0.0012","90","","90","","120","","1429.1","0.3","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C36 H72 I7 N12 O6 Pr -","- C36 H72 I7 N12 O6 Pr -","- C36 H72 I7 N12 O6 Pr -","1","0.166667","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.0513","0.0241","","","0.0398","0.0412","","","","","","0.703","","","","has coordinates","289510","2024-02-04","11:58:56",""
"7714704","12.9549","0.0018","12.9549","0.0018","8.5602","0.0012","90","","90","","120","","1244.2","0.3","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C36 H72 Ca I2 N12 O6 -","- C36 H72 Ca I2 N12 O6 -","- C36 H72 Ca I2 N12 O6 -","1","0.166667","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.0547","0.0494","","","0.1299","0.1338","","","","","","1.081","","","","has coordinates","289510","2024-02-04","11:58:56",""
"7714705","13.532","0.002","13.532","0.002","8.7287","0.0014","90","0.003","90","0.003","120","0.003","1384.2","0.4","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C38 H72 Ca F6 N12 O12 S2 -","- C38 H72 Ca F6 N12 O12 S2 -","- C38 H72 Ca F6 N12 O12 S2 -","1","0.166667","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.237","0.1299","","","0.3313","0.3683","","","","","","1.463","","","","has coordinates","289510","2024-02-04","11:58:56",""
"7714706","13.083","0.003","13.083","0.003","8.553","0.003","90","","90","","120","","1267.8","0.6","295","2","295","2","","","","","","","","6","P -3","-P 3","147","","Hexakis(dimethylpropyleneurea)calcium(II)perchlorate","","- C36 H72 Ca Cl2 N12 O14 -","- C36 H72 Ca Cl2 N12 O14 -","- C36 H72 Ca Cl2 N12 O14 -","1","0.166667","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.0654","0.045","","","0.1269","0.1348","","","","","","0.916","","","","has coordinates","289510","2024-02-04","11:58:56",""
"7714707","13.9909","0.0003","13.9909","0.0003","8.439","0.0003","90","","90","","120","","1430.58","0.07","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C46 H72 Ba F6 N12 O12 S2 -","- C37.9998 H72 Ba F6 N12 O12 S1.9998 -","- C37.9998 H72 Ba F6 N12 O12 S1.9998 -","1","0.166667","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.0537","0.0534","","","0.1424","0.1429","","","","","","1.206","","","","has coordinates,has disorder","289510","2024-02-04","11:58:56",""
"7714709","13.7677","0.0007","13.7677","0.0007","8.5413","0.0005","90","","90","","120","","1402.09","0.13","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C19 H36 F3 N6 O6 S Sr0.5 -","- C19 H36 F3 N6 O6 S Sr0.5 -","- C38 H72 F6 N12 O12 S2 Sr -","2","0.333333","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.115","0.1017","","","0.262","0.2769","","","","","","0.928","","","","has coordinates","289510","2024-02-04","11:58:56",""
"8000113","14.2146","0.001","14.2146","0.001","8.1976","0.0008","90","","90","","120","","1434.5","0.2","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C7 H9 Mn N O5 -","- C7 H9 Mn N O5 -","- C42 H54 Mn6 N6 O30 -","6","1","","Chen, Jinxi; Ohba, Masaaki; Kitagawa, Susumu","Two New Coordination Polymers Based on Hexanuclear Metal Cluster Cores","Chemistry Letters","2006","35","5","526","","10.1246/cl.2006.526","","","0.7107","MoKα","","0.0267","0.0262","","","0.067","0.0675","","","","","","1.134","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000114","16.0568","0.0011","16.0568","0.0011","7.6324","0.001","90","","90","","120","","1704.2","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C8 H9 Br N O5 Zn -","- C8 H9 Br N O5 Zn -","- C48 H54 Br6 N6 O30 Zn6 -","6","1","","Chen, Jinxi; Ohba, Masaaki; Kitagawa, Susumu","Two New Coordination Polymers Based on Hexanuclear Metal Cluster Cores","Chemistry Letters","2006","35","5","526","","10.1246/cl.2006.526","","","0.7107","MoKα","","0.052","0.0461","","","0.1114","0.1153","","","","","","1.159","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8100366","8.2947","0.0008","8.2947","0.0008","7.0884","0.0006","90","","90","","120","","422.36","0.09","193","2","193","2","","","","","","","","5","P -3","-P 3","147","","hexamethanolo-iron diiodide","","- C6 H24 Fe I2 O6 -","- C6 H24 Fe I2 O6 -","- C6 H24 Fe I2 O6 -","1","0.166667","","Harms, Klaus; Biesemeier, Frank; Müller, Ulrich","Crystal Structure of Hexamethanolo-iron diiodide, Fe(HOCH~3~)~6~I~2~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","164","164","10.1524/ncrs.2003.218.2.164","","","0.71073","MoKα","","0.0234","0.0232","","","0.0652","0.0653","","","","","","1.27","","","","has coordinates","177139","2020-10-21","18:00:00",""
"8101926","12.7751","0.0005","12.7751","0.0005","9.0835","0.0002","90","","90","","120","","1283.84","0.08","293","2","293","2","","","","","","","","7","P -3","-P 3","147","catena-tri-μ-trimethylammonium-acetatomanganese tetrachlorozincate","catena-(tris(μ-betaine-O,O')manganese(II)) tetrachlorozincate","","- C15 H33 Cl4 Mn N3 O6 Zn -","- C15 H33 Cl4 Mn N3 O6 Zn -","- C30 H66 Cl8 Mn2 N6 O12 Zn2 -","2","0.333333","","Wiehl, L.; Schreuer, J.; Haussühl, E.","Crystal structures of catena-(tris(μ-betaine-O,O')-manganese (II)) tetrachlorozincate and catena-(tris(μ-betaine-O,O')manganese (II)) tetrachlorocobaltate, [{(CH~3~)~3~NCH~2~COO}~3~Mn][MCl~4~] (M = Zn, Co)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","77","79","","","","0.71073","MoKα","","0.0367","0.0318","","","0.0793","0.0834","","","","","","1.048","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101927","12.7832","0.0007","12.7832","0.0007","9.0769","0.0004","90","","90","","120","","1284.54","0.11","293","2","293","2","","","","","","","","7","P -3","-P 3","147","catena-tri-μ-trimethylammonium-acetatomanganese tetrachlorocobaltate","catena-(tris(μ-betaine-O,O')manganese(II)) tetrachlorocobaltate","","- C15 H33 Cl4 Co Mn N3 O6 -","- C15 H33 Cl4 Co Mn N3 O6 -","- C30 H66 Cl8 Co2 Mn2 N6 O12 -","2","0.333333","","Wiehl, L.; Schreuer, J.; Haussühl, E.","Crystal structures of catena-(tris(μ-betaine-O,O')-manganese (II)) tetrachlorozincate and catena-(tris(μ-betaine-O,O')manganese (II)) tetrachlorocobaltate, [{(CH~3~)~3~NCH~2~COO}~3~Mn][MCl~4~] (M = Zn, Co)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","77","79","","","","0.71073","MoKα","","0.0347","0.0282","","","0.0728","0.0762","","","","","","1.068","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103305","7.40227","0.000089","7.40227","0.000089","6.31436","0.00011","90","","90","","120","","299.633","0.007","","","297","2","","","","","","","","4","P -3","-P 3","147","Barium oxonitridophosphate","Barium oxonitridophosphate","","- Ba3 N8 O6 P6 -","- Ba3 N8 O6 P6 -","- Ba3 N8 O6 P6 -","1","0.166667","","Stefan J. Sedlmaier; Daniel Weber; Wolfgang Schnick","Crystal structure of barium oxonitridophosphate, Ba3P6O6N8","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","1","","","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.00825","","1.047","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103742","11.48","","11.48","","20.958","","90","","90","","120","","2392.02","","","","","","","","","","","","","3","P -3","-P 3","147","","Sr1.143 Ti S3","","- S3 Sr1.143 Ti -","- S3 Sr1.14286 Ti -","- S63 Sr24 Ti21 -","21","3.5","","Gourdon, O.; Cario, L.; Petricek, V.; Evain, M.; Perez-Mato, J.M.","Synthesis, structure determination and twinning of two new composite compounds in the hexagonal perovskite-like sulfide family: Eu8/7 Ti S3 and Sr8/7 Ti S3","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","541","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103743","11.3892","","11.3892","","20.923","","90","","90","","120","","2350.4","","","","","","","","","","","","","3","P -3","-P 3","147","","Eu1.143 Ti S3","","- Eu1.143 S3 Ti -","- Eu1.14286 S3 Ti -","- Eu24 S63 Ti21 -","21","3.5","","Gourdon, O.; Cario, L.; Evain, M.; Petricek, V.; Perez-Mato, J.M.","Synthesis, structure determination and twinning of two new composite compounds in the hexagonal perovskite-like sulfide family: Eu8/7 Ti S3 and Sr8/7 Ti S3","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","541","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104320","9.611","","9.611","","17.83","","90","","90","","120","","1426.33","","","","","","","","","","","","","6","P -3","-P 3","147","","K3.86 Na5.3 (H3 O)0.84 (Fe6 O2 (H2 O)6 (S O4)12) (H2 O)11.08","","- Fe6 H36.68 K3.86 Na5.3 O67.92 S12 -","- Fe6 K3.86 Na5.36 O67.92 S12 -","- Fe6 K3.86 Na5.36 O67.92 S12 -","1","0.166667","","Scordari, F.; Stasi, F.","Analysis of the compound K3.86 Na5.3 (H3 O)(+)0.84 (Fe)(3+)6 O2 (S O4)12 (H2 O)17.08: Structure, crystal chemistry and stability","Zeitschrift fuer Kristallographie (149,1979-)","1990","190","","47","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104404","14.92","","14.92","","14.426","","90","","90","","120","","2781.08","","","","","","","","","","","","","3","P -3","-P 3","147","","Rb4 Sn Sb6","","- Rb4 Sb6 Sn -","- Rb4 Sb6 Sn -","- Rb24 Sb36 Sn6 -","6","1","","Asbrand, M.; Eisenmann, B.","Crystal structure of tetrarubidium monostannidohexaantimonide","Zeitschrift fuer Kristallographie (149,1979-)","1992","198","","309","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104661","9.5965","0.0003","9.5965","0.0003","11.8821","0.0008","90","","90","","120","","947.65","0.08","223.15","","223.15","","","","","","","","","6","P -3","-P 3","147","","","","- C36 H36 F6 N12 Ni Si -","- C36 H36 F6 N12 Ni Si -","- C36 H36 F6 N12 Ni Si -","1","0.166667","","Xu, Xi-Ting; Dong, Tong-Min; Song, Wei; Zhong, Kai-Long","Crystal structure of poly[bis[μ 3-1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene-κ 3 N:N′:N″]nickel(II)] hexafluorosilicate, C36H36N12NiSiF6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1043","1045","10.1515/ncrs-2021-0195","","","0.71073","MoKα","","0.0454","0.0437","","","0.1068","0.1076","","","","","","1.259","","","","has coordinates","273489","2022-03-07","09:17:50",""
"9000725","13.491","","13.491","","8.855","","90","","90","","120","","1395.75","","","","","","","","","","","","","4","P -3","-P 3","147","","","Armangite","- C As18 Mn26 O57 -","- C As18 Mn26 O57 -","- C As18 Mn26 O57 -","1","0.166667","","Moore, P. B.; Araki, T.","Armangite, Mn26[As6(OH)4O14][As6O18]2[CO3], a fluorite derivative structure","American Mineralogist","1979","64","","748","757","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9001300","9.927","","9.927","","8.22","","90","","90","","120","","701.517","","","","","","","","","","","","","4","P -3","-P 3","147","","","Yoshiokaite","- Al5.35 Ca2.676 O16 Si2.65 -","- Al5.35 Ca2.676 O16 Si2.65 -","- Al10.7 Ca5.352 O32 Si5.3 -","2","0.333333","","Steele, I. M.; Pluth, J. J.","Crystal structure of synthetic yoshiokaite, a stuffed derivative of the tridymite structure","American Mineralogist","1990","75","","1186","1191","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001719","8.33","","8.33","","10.54","","90","","90","","120","","633.375","","","","","","","","","","","","","4","P -3","-P 3","147","","","Namuwite","- H6 O14 S Zn4 -","- H6 O14 S Zn4 -","- H12 O28 S2 Zn8 -","2","0.333333","","Groat, L. A.","The crystal structure of namuwite, a mineral with Zn in tetrahedral and octahedral coordination, and its relationship to the synthetic basic zinc sulfates Note: U(1,2) for S has been changed to match symmetry constraints.","American Mineralogist","1996","81","","238","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001720","8.319","","8.319","","7.377","","90","","90","","120","","442.133","","","","","","","","","","","","","6","P -3","-P 3","147","","","Bechererite","- Cu1.002 H19 O21 S Si Zn6.938 -","- Cu1.002 H19 O21 S Si Zn6.938 -","- Cu1.002 H19 O21 S Si Zn6.938 -","1","0.166667","","Giester, G.; Rieck, B.","Bechererite, (Zn,Cu)6Zn2(OH)13[(S,Si)(O,OH)4]2, a novel mineral species from the Tonopah-Belmont mine, Arizonia Note: U(1,2) changed for Si, S, O1, OH1 to match symmetry constraints.","American Mineralogist","1996","81","","244","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9003816","7.601","","7.601","","9.219","","90","","90","","120","","461.271","","","","","","","","","","","","","9","P -3","-P 3","147","","","Zoltaiite","- Al0.018 Ba Cr0.336 Fe0.48 Mg0.03 O27 Si2 Ti1.31 V11.748 -","- Al0.018 Ba Cr0.336 Fe0.48 Mg0.03 O27 Si2 Ti1.31 V11.748 -","- Al0.018 Ba Cr0.336 Fe0.48 Mg0.03 O27 Si2 Ti1.31 V11.748 -","1","0.166667","","Bartholomew, P. R.; Mancini, F.; Cahill, C. L.; Harlow, G. E.; Bernhardt, H. J.","Zoltaiite, a new barium-vanadium nesosubsilicate mineral from British Columbia: Description and crystal structure Sample: Wigwam Pb-Zn deposit, southeast of Revelstoke, British Columbia, Canada","American Mineralogist","2005","90","","1655","1660","10.2138/am.2005.1602","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003875","5.5407","","5.5407","","4.8435","","90","","90","","120","","128.771","","","","","","","","300000","","","","hypothetical structure calculated with DFT","3","P -3","-P 3","147","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H6 Mg3 O6 -","3","0.5","","Mookherjee, M.; Stixrude, L.","High-pressure proton disorder in brucite Sample: P = .3 GPa Note: cell adjusted to match Figure 2","American Mineralogist","2006","91","","127","134","10.2138/am.2006.1886","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003876","5.3498","","5.3498","","4.4014","","90","","90","","120","","109.093","","","","","","","","8400000","","","","hypothetical structure calculated with DFT","3","P -3","-P 3","147","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H6 Mg3 O6 -","3","0.5","","Mookherjee, M.; Stixrude, L.","High-pressure proton disorder in brucite Sample: P = 8.4 GPa Note: cell adjusted to match Figure 2","American Mineralogist","2006","91","","127","134","10.2138/am.2006.1886","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003877","4.5804","","4.5804","","4.8435","","90","","90","","120","","88.003","","","","","","","","119100000","","","","hypothetical structure calculated with DFT","3","P -3","-P 3","147","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H6 Mg3 O6 -","3","0.5","","Mookherjee, M.; Stixrude, L.","High-pressure proton disorder in brucite Sample: P = 119.1 GPa Note: cell adjusted to match Figure 2","American Mineralogist","2006","91","","127","134","10.2138/am.2006.1886","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004597","9.659","","9.659","","7.182","","90","","90","","120","","580.284","","","","","","","","","","","","","7","P -3","-P 3","147","","","Belovite-(Ce)","- Ce1.833 Cl0.021 F2 Na2 O24 P6 Sr6 -","- Ce1.8334 Cl0.021 F2 Na3.004 O24 P6 Sr6.072 -","- Ce1.8334 Cl0.021 F2 Na3.004 O24 P6 Sr6.072 -","1","0.166667","","Rakovan, J. F.; Hughes, J. M.","Strontium in the apatite structure: Strontian fluorapatite and belovite-(Ce)","The Canadian Mineralogist","2000","38","","839","845","10.2113/gscanmin.38.4.839","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004834","9.9097","","9.9097","","7.4026","","90","","90","","120","","629.558","","","","","","","","","","","","Ilimaussaq Alkaline Complex, South Greenland","9","P -3","-P 3","147","","","Kuannersuite-(Ce)","- Ba5.886 Ce1.18 Cl0.59 F2.41 La0.3 Na2 Nd0.52 O24 P6 -","- Ba5.886 Ce1.18 Cl0.59 F2.41 La0.3 Na2.34 Nd0.52 O24 P6 -","- Ba5.886 Ce1.18 Cl0.59 F2.41 La0.3 Na2.34 Nd0.52 O24 P6 -","1","0.166667","","Friis, H.; Balic-Zunic T; Pekov, I. V.; Petersen, O. V.","Kuannersuite-(Ce), Ba6Na2REE2(PO4)6FCl, a new member of the apatite group, from the Ilimaussaq Alkaline Complex, South Greenland: Description and crystal chemistry Locality: Ilimaussaq Alkaline Complex, South Greenland","The Canadian Mineralogist","2004","42","","95","106","10.2113/gscanmin.42.1.95","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005262","8.197","","8.197","","7.312","","90","","90","","120","","425.478","","","","","","","","","","","","","6","P -3","-P 3","147","","","Sabelliite","- As2.4 Cu6 H6 O21 Sb0.42 Zn2.86 -","- As2.4 Cu6 H6 O21 Sb0.42 Zn2.86 -","- As2.4 Cu6 H6 O21 Sb0.42 Zn2.86 -","1","0.166667","","Olmi, F.; Sabelli, C.; Trosti-Ferroni R","The crystal structure of sabelliite","European Journal of Mineralogy","1995","7","","1331","1337","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005699","2.845","","2.845","","7.485","","90","","90","","120","","52.467","","","","","","","","","","","","Friesach, Carinthia, Austria","3","P -3","-P 3","147","","","Rancieite","- Ca1.59 Mn0.167 O2.187 -","- Ca1.59 Mn0.16667 O2.18666 -","- Ca1.59 Mn0.16667 O2.18666 -","1","0.166667","","Ertl, A.; Pertlik, F.; Prem, M.; Post, J. E.; Kim, S. J.; Brandstatter, F.; Schuster, R.","Rancieite crystals from Friesach, Carinthia, Austria Note: Birnessite group","European Journal of Mineralogy","2005","17","","163","172","10.1127/0935-1221/2005/0017-0163","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007809","7.874","","7.874","","5.423","","90","","90","","120","","291.18","","","","","","","","","","","","","4","P -3","-P 3","147","","","","- Br2 H12 Ni O14 -","- Br2 H12 Ni O14 -","- Br2 H12 Ni O14 -","1","0.166667","","Gallucci, J. C.; Gerkin, R. E.; Reppart, W. J.","Structure of nickel(II) perbromate hexahydrate at 296K","Acta Crystallographica, Section C","1990","46","","1580","1584","10.1107/S0108270189013533","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009407","3.063","","3.063","","8.91","","90","","90","","120","","72.394","","","","","","","","","","","","Hilarion mine, Kamariza, near Laurion, Greece","5","P -3","-P 3","147","","","Zincowoodwardite","- Al0.375 H6 O2.686 S0.188 Zn0.625 -","- Al0.375 H2.376 O2.686 S0.188 Zn0.625 -","- Al0.375 H2.376 O2.686 S0.188 Zn0.625 -","1","0.166667","","Witzke, T.; Raade, G.","Zincowoodwardite, [Zn1-x Alx(OH)2][(SO4)x/2(H2O)n], a new mineral of the hydrotalcite group Locality: Hilarion mine, Kamariza, near Laurion, Greece Note: polytype Zincowoodwardite-1T","Neues Jahrbuch fur Mineralogie, Monatshefte","2000","2000","","455","465","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009457","15.566","","15.566","","8.69","","90","","90","","120","","1823.49","","","","","","","","","","","","Sierra Gorda, Chile","5","P -3","-P 3","147","","","Ferrinatrite","- Fe H6 Na3 O15 S3 -","- Fe H6 Na3 O15 S3 -","- Fe6 H36 Na18 O90 S18 -","6","1","","Scordari, F.","The crystal structure of ferrinatrite, Na3(H2O)3[Fe(SO4)3] and its relationship to Maus's salt, (H3O)2K2{K0.5(H2O)0.5}6[Fe3O(H2O)3(SO4)6](OH)2","Mineralogical Magazine","1977","41","","375","383","10.1180/minmag.1977.041.319.10","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009470","9.765","","9.765","","19.067","","90","","90","","120","","1574.55","","","","","","","","","","","","Niakornak, Greenland","6","P -3","-P 3","147","","","Reyerite","- Al Ca7 H22 Na0.8 O36 Si11 -","- Al Ca7 H10 Na0.8 O36 Si11 -","- Al2 Ca14 H20 Na1.6 O72 Si22 -","2","0.333333","","Merlino, S.","The structure of reyerite, (Na,K)2Ca14Si22Al2O58(OH)8*6H2O Note: anisoU's from ICSD","Mineralogical Magazine","1988","52","","247","256","10.1180/minmag.1988.052.365.12","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009954","10.036","","10.036","","12.876","","90","","90","","120","","1123.14","","","","","","","","","","","","Khibiny massif, Kola Peninsula, Russia","10","P -3","-P 3","147","","","Tisinalite","- Ca0.38 Fe0.36 H18 Mn1.26 Na6.24 Nb0.4 O54 Si18 Ti1.4 Zr0.42 -","- Ca0.38 Fe0.36 H18 Mn1.26 Na6.24 Nb0.4 O54 Si18 Ti1.4 Zr0.42 -","- Ca0.38 Fe0.36 H18 Mn1.26 Na6.24 Nb0.4 O54 Si18 Ti1.4 Zr0.42 -","1","0.166667","","Yamnova, N. A.; Egorov-Tismenko Y K; Pekov, I. V.; Shchegol'kova, L. V.","Crystal structure of tisinalite Na2(Mn,Ca)1-x(Ti,Zr,Nb,Fe3+)[Si6O8(O,OH)10]","Crystallography Reports","2003","48","","551","556","10.1134/1.1595177","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9009982","4.2579","","4.2579","","5.2149","","90","","90","","120","","81.878","","","","","","","","","","","","","2","P -3","-P 3","147","","","","- Ni Ti0.88 -","- Ni Ti0.88 -","- Ni9 Ti7.92 -","9","1.5","","Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T.","Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy","Materials Science Forum","2005","495","","255","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9010151","9.15","","9.15","","9.745","","90","","90","","120","","706.569","","","","","","","","","","","","Apuan Alps, Tuscany, Italy","5","P -3","-P 3","147","","","Cualstibite","- Al Cu2 H12 O12 Sb -","- Al Cu2 H12 O12 Sb -","- Al3 Cu6 H36 O36 Sb3 -","3","0.5","","Bonaccorsi, E.; Merlino, S.; Orlandi, P.","Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural relationships","American Mineralogist","2007","92","","198","203","10.2138/am.2007.2240","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010152","5.327","","5.327","","9.792","","90","","90","","120","","240.64","","","","","","","","","","","","Lucchetti marble quarry, Fantiscritti marble basin, Carrara, Apuan","5","P -3","-P 3","147","","","Zincalstibite","- Al1.01 H12 O12 Sb Zn1.99 -","- Al1.01 H12 O12 Sb Zn1.99 -","- Al1.01 H12 O12 Sb Zn1.99 -","1","0.166667","","Bonaccorsi, E.; Merlino, S.; Orlandi, P.","Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural relationships Locality: Lucchetti marble quarry, Fantiscritti marble basin, Carrara, Apuan Alps, Tuscany, Italy","American Mineralogist","2007","92","","198","203","10.2138/am.2007.2240","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011511","8.3556","","8.3556","","13.025","","90","","90","","120","","787.524","","","","","","","","","","","","San Francisco mine, Sierra Gorda, Chile","6","P -3","-P 3","147","","","Gordaite","- Cl H18 Na O16 S Zn4 -","- Cl H18 Na O16 S Zn4 -","- Cl2 H36 Na2 O32 S2 Zn8 -","2","0.333333","","Adiwidjaja, G.; Friese, K.; Klaska, K. H.; Schluter, J.","The crystal structure of gordaite NaZn4(SO4)(OH)6Cl*6H2O","Zeitschrift fur Kristallographie","1997","212","","704","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:43",""
"9011912","9.6641","","9.6641","","7.1825","","90","","90","","120","","580.937","","","","","","","","","","","","Mt. Kukisvumchorr, Khibiny alkaline massif, Kola Peninsula, Russia","9","P -3","-P 3","147","","","Belovite-(La)","- Ba0.12 Ca0.06 Ce0.4 F La0.599 Na0.981 O12 P3 Sr2.754 -","- Ba0.12 Ca0.06 Ce0.4 F La0.599 Na0.981 O12 P3 Sr2.754 -","- Ba0.24 Ca0.12 Ce0.8 F2 La1.198 Na1.962 O24 P6 Sr5.508 -","2","0.333333","","Kabalov, Y. K.; Sokolova, E. V.; Pekov, I. V.","Crystal structure of belovite-(La)","Soviet Physics Doklady","1997","42","","344","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012862","8.211","","8.211","","7.106","","90","","90","","120","","414.904","","","","","","","","","","","","Cap Garonne Mine, Var, France","5","P -3","-P 3","147","","","Schulenbergite","- Cu5.999 H36.01 O21 S2 Zn1.001 -","- Cu5.999 H15.99 O21 S2 Zn1.001 -","- Cu5.999 H15.99 O21 S2 Zn1.001 -","1","0.166667","","Mumme, W. G.; Sarp, H.; Chiappero, P. J.","A note on the crystal structure of schulenbergite","Archivs des Sciences, Geneve","1994","47","","117","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012866","6.68","","6.68","","7.164","","90","","90","","120","","276.847","","","","","","","","","","","","Lengenbach, Binntal, Switzerland","4","P -3","-P 3","147","","","Erniggliite","- As2 S6 Sn Tl2 -","- As2 S6 Sn Tl2 -","- As2 S6 Sn Tl2 -","1","0.166667","","Graeser, S.; Schwander, H.; Wulf, R.; Edenharter, A.","Erniggliite (Tl2SnAs2S6), a new mineral from Lengenbach, Binntal (Switzerland): description and crystal structure determination based on data from synchrotron radiation Locality: Lengenbach, Binntal, Switzerland","Schweizerische Mineralogische und Petrographische Mitteilungen","1992","72","","293","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013956","9.51","","9.51","","7.01","","90","","90","","120","","549.047","","","","","","","","","","","","","11","P -3","-P 3","147","","","Deloneite","- Ca3.548 Ce1.299 F1.41 H0.63 La0.6 Na1.999 Nd0.25 O24.63 P5.799 Si0.201 Sr2.301 -","- Ca3.548 Ce1.299 F1.41 H0.63 La0.6 Na1.999 Nd0.25 O24.63 P5.799 Si0.201 Sr2.301 -","- Ca7.096 Ce2.598 F2.82 H1.26 La1.2 Na3.998 Nd0.5 O49.26 P11.598 Si0.402 Sr4.602 -","2","0.333333","","Rastsvetaeva, R. F.; Khomyakov, A. P.","Crystal structure of deloneite-(Ce), high ordered Ca analogue of belovite","Doklady Akademii Nauk SSSR","1996","349","","354","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9014066","9.4553","","9.4553","","6.9825","","90","","90","","120","","540.62","","","","","","","","","","","","the Ilimaussaq alkaline complex, South Greenland","14","P -3","-P 3","147","","","Carlgieseckeite-(Nd)","- Ba0.06 Ca4.2 Ce0.82 F1.88 Gd0.04 La0.1 Na2.36 Nd1.14 O24 P5.88 Pr0.2 Si0.12 Sm0.22 Sr0.9 -","- Ba0.06 Ca4.2 Ce0.82 F1.88 Gd0.04 La0.1 Na2.36 Nd1.14 O24 P5.88 Pr0.2 Si0.12 Sm0.22 Sr0.9 -","- Ba0.06 Ca4.2 Ce0.82 F1.88 Gd0.04 La0.1 Na2.36 Nd1.14 O24 P5.88 Pr0.2 Si0.12 Sm0.22 Sr0.9 -","","","","Pekov, I. V.; Zubkova, N. V.; Husdal, T. A.; Kononkova, N. N.; Agakhanov, A. A.; Zadov, A. E.; Pushcharovsky, D. Y.","Carlgieseckeite-(Nd), NaNdCa3(PO4)3F, a new belovite-group mineral species from the Ilimaussaq alkaline complex, South Greenland","The Canadian Mineralogist","2012","50","","571","580","10.3749/canmin.50.2.571","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014315","7.341","","7.341","","5.26996","","90","","90","","120","","245.951","","","","","","","","","","","","Synthetic","2","P -3","-P 3","147","","","","- Ni Ti -","- Ni9 Ti9 -","- Ni9 Ti9 -","","","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014689","5.3506","","5.3506","","19.5802","","90","","90","","120","","485.459","","","","","","","","","","","","Oms, France","8","P -3","-P 3","147","","","Omsite","- As0.154 Cu1.368 Fe2.148 H24 Mg0.222 Ni2.262 O24 Sb1.846 -","- As0.154 Cu1.368 Fe2.148 H24 Mg0.222 Ni2.262 O24 Sb1.846 -","- As0.154 Cu1.368 Fe2.148 H24 Mg0.222 Ni2.262 O24 Sb1.846 -","1","0.166667","","Mills, S. J.; Kampf, A. R.; Housley, R. M.; Favreau, G.; Pasero, M.; Biagioni, C.; Merlino, S.; Berbain, C.; Orlandi, P.","Omsite, (Ni,Cu)2Fe3+(OH)6[Sb(OH)6], a new member of the cualstibite group from Oms, France","Mineralogical Magazine","2012","76","","1347","1354","10.1180/minmag.2012.076.5.16","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015042","8.33","","8.33","","10.54","","90","","90","","120","","633.375","","","","","","","","","","","","","4","P -3","-P 3","147","","","Namuwite","- H14 O14 S Zn4 -","- O14 S Zn4 -","- O28 S2 Zn8 -","2","0.333333","","Groat, L. A.","The crystal structure of namuwite, a mineral with Zn in tetrahedral and octahedral coordination, and its relationship to the synthetic basic zinc sulfates Note: U(1,2) for S has been changed to match symmetry constraints.","American Mineralogist","1996","81","","238","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015099","9.5007","","9.5007","","6.8406","","90","","90","","120","","534.732","","","","","","","","","","","","Synthetic","4","P -3","-P 3","147","","","","- Ca10 O24 P6 Se -","- Ca10 O24 P6 Se -","- Ca10 O24 P6 Se -","","","","Henning, P. A.; Adolfsson, E.; Grins, J.","The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se","Zeitschrift fur Kristallographie","2000","215","","226","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015346","7.3715","","7.3715","","5.302","","90","","90","","120","","249.507","","","","","","","","","","","","Synthetic","2","P -3","-P 3","147","","","","- Ni Ti0.885 -","- Ni9 Ti7.965 -","- Ni9 Ti7.965 -","","","","Sitepu, H.","Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy","Powder Diffraction","2007","22","","209","218","10.1154/1.2754715","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015613","12.8742","","12.8742","","87.215","","90","","90","","120","","12518.8","","","","","","","","","","","","Torre Stracciacappe, Trevignano community, Rome, Latium, Italy","9","P -3","-P 3","147","","","Fantappieite","- Al96 Ca29.2 Cl2 H20 K14.78 Na79.84 O460 S31 Si102 -","- Al96 Ca29.2 Cl2 H20 K14.78 Na79.84 O460 S31 Si102 -","- Al96 Ca29.2 Cl2 H20 K14.78 Na79.84 O460 S31 Si102 -","1","0.166667","","Camara, F.; Bellatreccia, F.; Della Ventura, G.; Mottana, A.; Bindi, L.; Gunter, M. E.; Sebastiani, M.","Fantappieite, a new mineral of the cancrinite-sodalite group with a 33-layer stacking sequence: Occurrence and crystal structure","American Mineralogist","2010","95","","472","480","10.2138/am.2010.3279","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015661","9.8077","","9.8077","","7.2089","","90","","90","","120","","600.529","","","","","","","","","","","","Synthetic","4","P -3","-P 3","147","","","","- O24 P6 S Sr10 -","- O24 P6 S Sr10 -","- O24 P6 S Sr10 -","","","","Henning, P. A.; Adolfsson, E.; Grins, J.","The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se","Zeitschrift fur Kristallographie","2000","215","","226","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016283","9.4619","","9.4619","","6.8342","","90","","90","","120","","529.877","","","","","","","","","","","","Synthetic","4","P -3","-P 3","147","","","","- Ca5 O12 P3 S0.5 -","- Ca10 O24 P6 S -","- Ca10 O24 P6 S -","","","","Henning, P. A.; Adolfsson, E.; Grins, J.","The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se","Zeitschrift fur Kristallographie","2000","215","","226","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016465","10.252","","10.252","","7.659","","90","","90","","120","","697.14","","","","","","","","","","","","Synthetic","4","P -3","-P 3","147","","","","- Ba10 O24 P6 S -","- Ba10 O24 P6 S -","- Ba10 O24 P6 S -","","","","Henning, P. A.; Adolfsson, E.; Grins, J.","The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se","Zeitschrift fur Kristallographie","2000","215","","226","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""