# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T13:15:01+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I -4 c 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000106","11.8101","0.0004","11.8101","0.0004","13.3741","0.0006","90","","90","","90","","1865.4","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","Caesium tetrafluoroaluminate - $-beta","","- Al Cs F4 -","- Al Cs F4 -","- Al20 Cs20 F80 -","20","1.25","","Bentrup, U; Le Bail, A; Duroy, H; Fourquet, J L","Polymorphism of CsAlF~4~.Synthesis and structure of two new crystalline forms","European Journal of Solid State Inorganic Chemistry","1992","29","","371","381","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000175","11.666","0.005","11.666","0.005","12.551","0.006","90","","90","","90","","1708.1","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","Rubidium aluminium tetrafluoride - β","","- Al F4 Rb -","- Al F4 Rb -","- Al20 F80 Rb20 -","20","1.25","","Fourquet, J. L.; Plet, F.; de Pape, R.","RbAlF~4~: Structure of Its β Metastable Form and Description of the Mechanism of Its Irreversible and Topotactic Phase Transition β →α","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","9","1997","2000","10.1107/S0567740880007790","","","","","","0.0178","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1000199","5.078","0.002","5.078","0.002","12.715","0.004","90","","90","","90","","327.9","","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","AMMONIUM ALUMINIUM TETRAFLUORIDE","","- Al F4 H4 N -","- Al F4 H4 N -","- Al4 F16 H16 N4 -","4","0.25","","Fourquet, J L; Plet, F; Courbion, G; Bulou, A; de Pape, R","Etude de la filiation structurale des phases M(I) Al F~4~ (M(I) = K, Rb, Tl, N H~4~, Cs)","Revue de Chimie Minerale","1979","16","","490","500","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:49",""
"1000490","12.4476","0.0006","12.4476","0.0006","12.9277","0.0007","90","","90","","90","","2003.1","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","Caesium tetrafluorocobaltate","","- Co Cs F4 -","- Co Cs F4 -","- Co20 Cs20 F80 -","20","1.25","","Lacorre, P; Pannetier, J; Fleischer, T; Hoppe, R; Ferey, G","Ordered magnetic frustration: XVI.Magnetic structure of Cs Co F4 at 1.5 K","Journal of Solid State Chemistry","1991","93","","37","45","10.1016/0022-4596(91)90271-I","","","","","","0.114","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000491","12.4353","0.0004","12.4353","0.0004","12.8612","0.0005","90","","90","","90","","1988.8","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","Caesium tetrafluorocobaltate","","- Co Cs F4 -","- Co Cs F4 -","- Co20 Cs20 F80 -","20","1.25","","Lacorre, P; Pannetier, J; Fleischer, T; Hoppe, R; Ferey, G","Ordered magnetic frustration: XVI.Magnetic structure of Cs Co F4 at 1.5 K","Journal of Solid State Chemistry","1991","93","","37","45","10.1016/0022-4596(91)90271-I","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010106","8.02","0.02","8.02","0.02","10.75","0.02","90","","90","","90","","691.4","","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","Beryllium sulfate tetrahydrate","","- Be H8 O8 S -","- Be H8 O8 S -","- Be4 H32 O32 S4 -","4","0.25","","Beevers, C A; Lipson, H","The Crystal Structure of Beryllium Sulphate Tetrahydrate, Be S O~4~ (H~2~ O)~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","82","","297","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509315","8.467","","8.467","","12.745","","90","","90","","90","","913.69","","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","(Ag (Xe F2)2) (P F6)","","- Ag F10 P Xe2 -","- Ag F10 P Xe2 -","- Ag4 F40 P4 Xe8 -","4","0.25","","Ito, Y.; Hagiwara, R.; Tamada, O.; Matsumoto, K.","Synthetic, structural and thermal studies of Ag(I) - Xe F2 complex salts","Solid State Sciences","2002","4","","1465","1469","10.1016/S1293-2558(02)00037-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514959","17.198","0.004","17.198","0.004","15.807","0.007","90","","90","","90","","4675","3","153","2","153","2","","","","","","","","4","I -4 c 2","I -4 -2c","120","","","","- C54 H52 N4 O2 -","- C54 H52 N4 O2 -","- C216 H208 N16 O8 -","4","0.25","","Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis and oxidation of cyclic tetraindole","Chemical Science","2012","3","2","524","","10.1039/c1sc00665g","","","0.71073","MoKα","","0.1032","0.0745","","","0.1881","0.2068","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514983","19.0697","0.0015","19.0697","0.0015","22.6005","0.0019","90","","90","","90","","8218.7","1.1","293","2","293","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C32.35 H29.7 Ni O6.09 Pt S4 -","- C32.352 H29.704 Ni O6.088 Pt S4 -","- C258.816 H237.632 Ni8 O48.704 Pt8 S32 -","8","0.5","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54178","CuKα","","0.0334","0.033","","","0.1064","0.1073","","","","","","1.131","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515019","16.8566","0.0002","16.8566","0.0002","14.5819","0.0003","90","","90","","90","","4143.37","0.11","123","2","123","2","","","","","","","synthesis as described","5","I -4 c 2","I -4 -2c","120","","","","- C26 H40 I4 N12 O16 -","- C26 H40 I4 N12 O16 -","- C104 H160 I16 N48 O64 -","4","0.25","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0308","0.026","","","0.0477","0.0488","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517044","16.3271","0.0003","16.3271","0.0003","16.1084","0.0008","90","","90","","90","","4294.1","0.2","296","2","296","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Hydroxonium Tetrakis(3-methyl-1-phenyl-4-formylpyrazole-5-onato)europium(III)ate","","- C44 H41 Eu N8 O10 -","- C44 H36 Eu N8 O10 -","- C176 H144 Eu4 N32 O40 -","4","0.25","","Victor F. Shul-gin; Oleg V. Konnik; Susana V. Abkhairova; Alexey N. Gusev; Svetlana B. Meshkova; Anna V. Kiriyak; Eduard B. Rusanov; Miki Hasegawa; Wolfgang Linert","Anionic lanthanide complexes with 3-methyl-1-phenyl-4-formylpyrazole-5-one and hydroxonium as counter ion","Inorganica Chimica Acta","2013","402","","33","38","","","","0.71073","MoKα","","0.0783","0.0452","","","0.0992","0.1136","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517045","16.2701","0.0004","16.2701","0.0004","16.1315","0.0006","90","","90","","90","","4270.3","0.2","296","2","296","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Hydroxonium Tetrakis(3-methyl-1-phenyl-4-formylpyrazole-5-onato)samarium(III)ate","","- C44 H41 N8 O10 Sm -","- C44 H36 N8 O10 Sm -","- C176 H144 N32 O40 Sm4 -","4","0.25","","Victor F. Shul-gin; Oleg V. Konnik; Susana V. Abkhairova; Alexey N. Gusev; Svetlana B. Meshkova; Anna V. Kiriyak; Eduard B. Rusanov; Miki Hasegawa; Wolfgang Linert","Anionic lanthanide complexes with 3-methyl-1-phenyl-4-formylpyrazole-5-one and hydroxonium as counter ion","Inorganica Chimica Acta","2013","402","","33","38","","","","0.71073","MoKα","","0.0857","0.0488","","","0.1147","0.1317","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1525305","7.753","","7.753","","7.869","","90","","90","","90","","472.998","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- Ce Ni4 Sn2 -","- Ce Ni4 Sn2 -","- Ce4 Ni16 Sn8 -","4","0.25","","Skolozdra, R.V.; Yasnitskaya, I.V.; Komarovskaya, L.P.; Aksel'rud, L.G.","Crystal structure and magnetic susceptibility of the compounds R Ni Sn (R= rare earth metals)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","65","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527206","9.41","","9.41","","18.64","","90","","90","","90","","1650.54","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","(Mn2 O3)3 Mn Si O3","","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.5","","Bystroem, A.; Mason, B.","The crystal structure of Braunite, (Mn2 O3)3 Mn Si O3","Arkiv foer Kemi, Mineralogi och Geologi, B","1943","16","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527467","5.858","","5.858","","25.42","","90","","90","","90","","872.317","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","K2 (Cu F4)","","- Cu F4 K2 -","- Cu F4 K2 -","- Cu8 F32 K16 -","8","0.5","","Haegele, R.; Babel, D.","Die Neubestimmung der K2 Cu F4 - Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1974","409","","11","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538399","9.065","","9.065","","13.55","","90","","90","","90","","1113.46","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","P4 O6 S4","","- O6 P4 S4 -","- O6 P4 S4 -","- O24 P16 S16 -","4","0.25","","Mijlhoff, F.C.; Portheine, J.C.; Romers, C.","The crystal structure of tetragonal P4 O6 S4","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1967","86","","257","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","166933","2020-10-21","18:00:00",""
"1539545","5.673","","5.673","","10.92","","90","","90","","90","","351.438","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","Sr Cr F4","","- Cr F4 Sr -","- Cr F4 Sr -","- Cr4 F16 Sr4 -","4","0.25","","von der Muehll, R.; Ravez, J.; Dumora, D.; Hagenmuller, P.","Deux Nouvelles Structures Difluorine et Trifluorine","Journal of Solid State Chemistry","1970","2","","262","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1543081","9.1761","0.0004","9.1761","0.0004","12.696","0.0007","90","","90","","90","","1069.01","0.09","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- Ag16 Mg16 Sb16 -","- Ag Mg Sb -","- Ag16 Mg16 Sb16 -","16","1","","Kirkham, Melanie J.; dos Santos, Antonio M.; Rawn, Claudia J.; Lara-Curzio, Edgar; Sharp, Jeff W.; Thompson, Alan J.","Abinitio determination of crystal structures of the thermoelectric material MgAgSb","Physical Review B","2012","85","","144120","","","","","","","","0.020997","","","","","","","","","","","","","","","has coordinates","182017","2020-10-21","18:00:00",""
"1550921","29.1874","0.0004","29.1874","0.0004","57.5222","0.0014","90","","90","","90","","49003.4","1.5","100","","100","","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C5 H9.33 N1.33 O4 S20 Sn10 -","- C5 H9.33333 N1.33333 O4 S20 Sn10 -","- C120 H224 N32 O96 S480 Sn240 -","24","1.5","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","1.54186","CuKα","","0.0757","0.065","","","0.1687","0.1776","","","","","","1","","","","has coordinates","214716","2020-10-21","18:00:00",""
"1552822","25.8909","0.0004","25.8909","0.0004","59.13","0.004","90","","90","","90","","39637","3","173.01","0.1","173.01","0.1","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C178 H264 Cl8 O26 Y4 -","- C178 H264 Cl8 O26 Y4 -","- C1424 H2112 Cl64 O208 Y32 -","8","0.5","","Chen, Changjuan; Bai, Zhiyong; Cui, Yaqin; Cong, Yong; Pan, Xiaobo; Wu, Jincai","ppm-Level Thermally Switchable Yttrium Phenoxide Catalysts for Moisture-Insensitive and Controllably Immortal Polymerization of rac-Lactide","Macromolecules","2018","51","17","6800","","10.1021/acs.macromol.8b01229","","","0.71","MoKα","","0.0859","0.0539","","","0.1214","0.1419","","","","","","1.061","","","","has coordinates","227459","2020-10-21","18:00:00",""
"1568643","11.6774","0.0001","11.6774","0.0001","18.9131","0.0002","90","","90","","90","","2579.02","0.04","100.01","0.12","100.01","0.12","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C8 H18 Cl2 P2 Pt -","- C8 H18 Cl2 P2 Pt -","- C64 H144 Cl16 P16 Pt8 -","8","0.5","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","0.71073","MoKα","","0.02","0.0195","","","0.0495","0.0499","","","","","","1.081","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13",""
"2005913","21.174","0.004","21.174","0.004","15.119","0.002","90","","90","","90","","6778","2","293","2","293","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Bis(tetraethylammonium) bis(μ-sulfido)-bis[(1,2,3,4-tetrathiabutan-1,4-diyl-S,S)thiotungstate(V)]","","- C16 H40 N2 S12 W2 -","- C16 H30 N2 S12 W2 -","- C128 H240 N16 S96 W16 -","8","0.5","BM1055","Mukherjee, A. K.; Das, P. K.; Mukherjee, M.; Chakraborty, P. K.; Bhattacharya, R.","Disorder in Bis(tetraethylammonium) Bis(μ-sulfido)bis[(1,2,3,4-tetrathiabutane-1,4-diyl-<i>S</i>,<i>S</i>)thiotungstate(V)]","Acta Crystallographica Section C","1997","53","2","209","212","10.1107/S0108270196011699","","","0.71073","MoKα","","0.0676","0.0484","","0.1244","0.1139","","","","1.044","1.09","1.09","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008113","15.193","0.002","15.193","0.002","17.273","0.003","90","","90","","90","","3987.1","1","100","","100","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Bis(μ-hydroxo)tris(trimethyltin) iodide","","- C9 H29 I O2 Sn3 -","- C9 H29 I O2 Sn3 -","- C72 H232 I8 O16 Sn24 -","8","0.5","QB0070","Saurage, Andrea S.; Billodeaux, Damon R.; Hammer, Robert P.; Fronczek, Frank R.","Di-μ-hydroxo-tris(trimethyltin) iodide at 100K","Acta Crystallographica Section C","1999","55","1","IUC9800076","","10.1107/S0108270199099977","","","0.71073","MoKα","","0.061","0.034","","","","0.072","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014882","14.1311","0.0003","14.1311","0.0003","20.2206","0.0006","90","","90","","90","","4037.81","0.17","160","1","160","1","","","","","","","","4","I -4 c 2","I -4 -2c","120","","exo-8-(trifluoromethyl)pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecan- endo-8-ol","","- C12 H13 F3 O -","- C12 H13 F3 O -","- C192 H208 F48 O16 -","16","1","SK1816","Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz","Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","2005","61","4","o221","o226","10.1107/S0108270105004701","","","0.71073","MoKα","","0.0743","0.0611","","","0.1626","0.1744","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014929","9.78393","0.00002","9.78393","0.00002","19.01318","0.00003","90","","90","","90","","1820.04","0.006","298","","298","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","Strontium borophosphate","","- B O20 P5 Sr6 -","- B O20 P5 Sr6 -","- B4 O80 P20 Sr24 -","4","0.25","SQ1203","Namsoo Shin; Jinyoung Kim; Docheon Ahn; Kee-Sun Sohn","A new strontium borophosphate, Sr~6~BP~5~O~20~, from synchrotron powder data","Acta Crystallographica Section C","2005","61","5","i54","i56","10.1107/S0108270105009819","","","1.5452","synchrotron","","","","","","","","","","2.21","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2101138","8.012","0.0005","8.012","0.0005","10.712","0.001","90","","90","","90","","687.63","0.09","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","","","","","- Be H8 O8 S -","- Be H8 O8 S -","- Be4 H32 O32 S4 -","4","0.25","AB0310","Kellersohn, T.; Delaplane, R. G.; Olovsson, I.","The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study","Acta Crystallographica Section B","1994","50","3","316","326","10.1107/S010876819400039X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101139","7.9986","0.0006","7.9986","0.0006","10.705","0.001","90","","90","","90","","684.88","0.1","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","","","","","- Be H8 O8 S -","- Be H8 O8 S -","- Be4 H32 O32 S4 -","4","0.25","AB0310","Kellersohn, T.; Delaplane, R. G.; Olovsson, I.","The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study","Acta Crystallographica Section B","1994","50","3","316","326","10.1107/S010876819400039X","","neutron","1.037","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101140","7.9922","0.0009","7.9922","0.0009","10.702","0.002","90","","90","","90","","683.59","0.17","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","","","","","- Be H8 O8 S -","- Be H8 O8 S -","- Be4 H32 O32 S4 -","4","0.25","AB0310","Kellersohn, T.; Delaplane, R. G.; Olovsson, I.","The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study","Acta Crystallographica Section B","1994","50","3","316","326","10.1107/S010876819400039X","","neutron","1.037","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101752","15.524","","15.524","","17.294","","90","","90","","90","","4167.76","","","","","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C9 H29 I O2 Sn3 -","- C9 H29 I O2 Sn3 -","- C72 H232 I8 O16 Sn24 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","189073","2020-10-21","18:00:00",""
"2108612","5.696","0.0001","5.696","0.0001","31.6796","0.0002","90","","90","","90","","1027.83","0.03","295","","295","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- Mo O6 Pr2 -","- Mo O6 Pr2 -","- Mo8 O48 Pr16 -","8","0.5","","Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I.","Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005740","","x-ray","0.71073","MoKα","","0.0093","0.009","","","0.0132","0.0134","","","","1.07","1.07","1.07","","","","has coordinates,has Fobs","252309","2020-10-21","18:00:00",""
"2108613","5.6979","0.0001","5.6979","0.0001","31.7012","0.0002","90","","90","","90","","1029.21","0.03","295","0.1","295","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","","","- Mg0.026 Mo0.974 O5.94 Pr2 -","- Mg0.026 Mo0.974 O5.94 Pr2 -","- Mg0.208 Mo7.792 O47.52 Pr16 -","8","0.5","","Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I.","Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005740","","x-ray","0.71073","MoKα","","0.0361","0.0114","","","0.0136","0.016","","","","1.17","1.17","1","","","","has coordinates,has Fobs","252309","2020-10-21","18:00:00",""
"2212806","15.2499","0.0006","15.2499","","32.0091","0.0009","90","","90","","90","","7444","0.4","295","2","295","2","","","","","","","","7","I -4 c 2","I -4 -2c","120","","Bis(tetraethylammonium) μ-tetrathiomolybdenio(VI)-κ^4^S,S':S'':S''''- bis[(4-hydroxybenzenethiolato-κS)cuprate(I)]","","- C28 H50 Cu2 Mo N2 O2 S6 -","- C28 H50 Cu2 Mo N2 O2 S6 -","- C224 H400 Cu16 Mo8 N16 O16 S48 -","8","0.5","CF2090","Li, Zhi-Hua; Du, Shao-Wu; Ng, Seik Weng","Bis(tetraethylammonium) μ-tetrathiomolybdenio(VI)-κ^4^<i>S</i>,<i>S</i>':<i>S</i>'':<i>S</i>'''-bis[(4-hydroxybenzenethiolato-κ<i>S</i>)cuprate(I)]","Acta Crystallographica Section E","2007","63","4","m929","m930","10.1107/S1600536807007611","","","0.71073","MoKα","","0.017","0.017","","","0.044","0.044","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2230734","14.2402","0.0002","14.2402","0.0002","18.4369","0.0007","90","","90","","90","","3738.7","0.16","122","2","122","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","[1,2-Bis(diisopropylphosphanyl)ethane-\ κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)","","- C14 H32 Cl2 Ni P2 -","- C14 H32 Cl2 Ni P2 -","- C112 H256 Cl16 Ni8 P16 -","8","0.5","IS2724","Castellanos-Blanco, Nahury Y.; García, Juventino J.; Flores-Alamo, Marcos","[1,2-Bis(diisopropylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)","Acta Crystallographica Section E","2011","67","7","m871","","10.1107/S1600536811021209","","","0.71073","MoKα","","0.0389","0.0303","","","0.0682","0.0698","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"4027801","8.4558","","8.4558","","12.8645","","90","","90","","90","","919.819","","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","(Ag (Xe F2)2) (As F6)","","- Ag As F10 Xe2 -","- Ag As F10 Xe2 -","- Ag4 As4 F40 Xe8 -","4","0.25","","Bartlett, N.; Hagiwara, R.; Hollander, F.; Maines, C.","The crystal structure of (Ag(XeF2)2)AsF6 formed in the oxidation of Xe by AgFAsF6","European Journal of Solid State Inorganic Chemistry","1991","28","","855","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062823","14.6416","0.0005","14.6416","0.0005","18.4819","0.0009","90","","90","","90","","3962.1","0.3","193","2","193","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C16 H32 N Ni P2 -","- C16 H32 N Ni P2 -","- C128 H256 N8 Ni8 P16 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om049700t","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062824","14.3969","0.0005","14.3969","0.0005","19.0492","0.0009","90","","90","","90","","3948.3","0.3","193","2","193","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","Ni(dippe)(CN)2, 11","","","- C16 H32 N2 Ni P2 -","- C16 H32 N2 Ni P2 -","- C128 H256 N16 Ni8 P16 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om049700t","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4087509","14.308","0.005","14.308","0.005","18.642","0.007","90","","90","","90","","3816","2","100","0.5","100","0.5","","","","","","","","5","I -4 c 2","I -4 -2c","120","jonlm11","(dippe)PdCl2","","- C14 H32 Cl2 P2 Pd -","- C14 H32 Cl2 P2 Pd -","- C112 H256 Cl16 P16 Pd8 -","8","0.5","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment","Organometallics","2015","34","9","1716","","10.1021/acs.organomet.5b00194","","","0.71073","MoKα","","0.0175","0.0158","","","0.0389","0.0398","","","","","","1.119","","","","has coordinates","236824","2020-10-21","18:00:00",""
"4112242","10.5931","0.0001","10.593","","37.5286","0.0006","90","","90","","90","","4211.19","0.08","143","2","143","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","[P(CH2CH2OAc)4]+I-","","","- C16 H28 I O8 P -","- C16 H28 I O8 P -","- C128 H224 I8 O64 P8 -","8","0.5","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0258","0.024","","","0.0684","0.0714","","","","","","1.227","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112641","17.9292","0.0012","17.9292","0.0012","21.828","0.003","90","","90","","90","","7016.7","1.2","213","2","213","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","[Cr3(depa)4Cl2]I3","","","- C56 H64 Cl2 Cr3 I3 N12 -","- C56 H64 Cl2 Cr3 I3 N12 -","- C224 H256 Cl8 Cr12 I12 N48 -","4","0.25","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.1044","0.0984","","","0.2526","0.2588","","","","","","1.088","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4128100","30.049","0.002","30.049","0.002","53.137","0.004","90","","90","","90","","47980","6","100","2","100","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C68 H77 Co2 N4 O6 -","- C68 H77 Co2 N4 O6 -","- C1088 H1232 Co32 N64 O96 -","16","1","","Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai","Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","17","6822","6826","10.1021/jacs.9b02375","","","1.54178","CuKα","","0.1487","0.0992","","","0.2509","0.2712","","","","","","0.963","","","","has coordinates","221232","2020-10-21","18:00:00",""
"4128101","30.63","0.002","30.63","0.002","53.381","0.004","90","","90","","90","","50082","6","200","2","200","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C68 H77 Co2 N4 O6 -","- C68 H77 Co2 N4 O6 -","- C1088 H1232 Co32 N64 O96 -","16","1","","Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai","Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","17","6822","6826","10.1021/jacs.9b02375","","","1.54178","CuKα","","0.2315","0.1107","","","0.2516","0.3051","","","","","","0.915","","","","has coordinates","221232","2020-10-21","18:00:00",""
"4128102","31.034","0.002","31.034","0.002","53.217","0.004","90","","90","","90","","51254","6","100","2","100","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C68 H77 Co2 N4 O6 -","- C68 H77 Co2 N4 O6 -","- C1088 H1232 Co32 N64 O96 -","16","1","","Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai","Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","17","6822","6826","10.1021/jacs.9b02375","","","1.54178","CuKα","","0.2233","0.1127","","","0.2529","0.3129","","","","","","0.841","","","","has coordinates","221232","2020-10-21","18:00:00",""
"4134203","25.2251","0.0014","25.2251","0.0014","32.2322","0.001","90","","90","","90","","20509.5","1.7","100","2","100","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C88 H85 F20 N10 O6.5 Si2 -","- C88 H85 F20 N10 O6.5 Si2 -","- C704 H680 F160 N80 O52 Si16 -","8","0.5","","Shimomura, Keito; Kai, Hiroto; Nakamura, Yuma; Hong, Yongseok; Mori, Shigeki; Miki, Koji; Ohe, Kouichi; Notsuka, Yusuke; Yamaoka, Yoshihisa; Ishida, Masatoshi; Kim, Dongho; Furuta, Hiroyuki","Bis-Metal Complexes of Doubly N-Confused Dioxohexaphyrins as Potential Near Infrared-II Photoacoustic Dyes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13475","","","1.54187","CuKα","","0.1151","0.0922","","","0.2069","0.2173","","","","","","1.227","","","","has coordinates,has disorder","248295","2020-10-21","18:00:00",""
"4313868","17.9117","0.0007","17.9117","0.0007","21.9213","0.0017","90","","90","","90","","7033","0.7","213","2","213","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","Co3(depa)4(CN)2, 4CH2Cl2, 2H2O","","","- C62 H76 Cl8 Co3 N14 O2 -","- C62 H72 Cl8 Co3 N14 O2 -","- C248 H288 Cl32 Co12 N56 O8 -","4","0.25","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo","Increasing Solubility and Stability of Linear Tricobalt(II) Chains with depa (Diethyldipyridylamide) Ligands","Inorganic Chemistry","2003","42","","4425","4430","10.1021/ic034149y","","","0.71073","MoKα","","0.0615","0.0536","","","0.1473","0.16","","","","","","1.085","","","","has coordinates,has disorder","179204","2020-10-21","18:00:00",""
"4313873","17.8664","0.0008","17.8664","0.0008","21.9","0.002","90","","90","","90","","6990.7","0.8","213","2","213","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","Co3(depa)4Cl2, 4CH2Cl2, 2H2O","","","- C60 H76 Cl10 Co3 N12 O2 -","- C60 H72 Cl10 Co3 N12 O2 -","- C240 H288 Cl40 Co12 N48 O8 -","4","0.25","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo","Increasing Solubility and Stability of Linear Tricobalt(II) Chains with depa (Diethyldipyridylamide) Ligands","Inorganic Chemistry","2003","42","","4425","4430","10.1021/ic034149y","","","0.71073","MoKα","","0.0754","0.0646","","","0.1744","0.1977","","","","","","1.038","","","","has coordinates,has disorder","179204","2020-10-21","18:00:00",""
"4335767","16.6096","0.0004","16.6096","0.0004","25.8471","0.0007","90","","90","","90","","7130.7","0.3","120","","120","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C76 H64 N4 P6 Pt2 -","- C76 H64 N4 P6 Pt2 -","- C304 H256 N16 P24 Pt8 -","4","0.25","","Baofei Pan; Deirdra A. Evers-McGregor; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Multimetallic Complexes Featuring a Bridging N-heterocyclic Phosphido/Phosphenium Ligand: Synthesis, Structure, and Theoretical Investigation","Inorganic Chemistry","2013","52","","9583","9589","10.1021/ic4012873","","","0.71073","MoKα","","0.0195","0.0154","","0.0342","0.0329","0.0342","","","","","","0.9722","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4339875","13.3433","0.0003","13.3433","0.0003","27.8994","0.0012","90","","90","","90","","4967.3","0.3","90","0.2","90","0.2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C30 H36 N2 O8 Zn2 -","- C30 N2 O8 Zn2 -","- C120 N8 O32 Zn8 -","4","0.25","","Dybtsev, Danil N.; Yutkin, Maxim P.; Peresypkina, Eugenia V.; Virovets, Alexander V.; Serre, Christian; Férey, Gérard; Fedin, Vladimir P.","Isoreticular homochiral porous metal-organic structures with tunable pore sizes.","Inorganic chemistry","2007","46","17","6843","6845","10.1021/ic7009226","","","0.71073","MoKα","","0.1194","0.0755","","","0.2269","0.274","","","","","","1.19","","","","has coordinates,has disorder","179501","2020-10-21","18:00:00",""
"4343275","16.2226","0.0003","16.2226","0.0003","14.8493","0.0005","90","","90","","90","","3907.93","0.17","100","2","100","2","","","","","","","","7","I -4 c 2","I -4 -2c","120","","Bis-[4-methyl-2,6-di{pyrazol-1-yl}pyridine]iron(II) ditetrafluoroborate tetrakis-nitromethane solvate","","- C28 H34 B2 F8 Fe N14 O8 -","- C28 H34 B2 F8 Fe N14 O8 -","- C112 H136 B8 F32 Fe4 N56 O32 -","4","0.25","","Kershaw Cook, Laurence J.; Thorp-Greenwood, Flora L; Comyn, Tim P.; Cespedes, Oscar; Chastanet, Guillaume; Halcrow, Malcolm A.","Unexpected Spin-Crossover and a Low-Pressure Phase Change in an Iron(II)/Dipyrazolylpyridine Complex Exhibiting a High-Spin Jahn-Teller Distortion.","Inorganic chemistry","2015","54","13","6319","6330","10.1021/acs.inorgchem.5b00614","","","0.71073","MoKα","","0.0884","0.0814","","","0.1915","0.1951","","","","","","1.159","","","","has coordinates,has disorder","141322","2020-10-21","18:00:00",""
"4343276","16.3995","0.0003","16.3995","0.0003","14.934","0.0007","90","","90","","90","","4016.4","0.2","150","2","150","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","Bis-[4-methyl-2,6-di{pyrazol-1-yl}pyridine]iron(II) diperchlorate tetrakis-nitromethane solvate","","- C28 H34 Cl2 Fe N14 O16 -","- C28 H34 Cl2 Fe N14 O16 -","- C112 H136 Cl8 Fe4 N56 O64 -","4","0.25","","Kershaw Cook, Laurence J.; Thorp-Greenwood, Flora L; Comyn, Tim P.; Cespedes, Oscar; Chastanet, Guillaume; Halcrow, Malcolm A.","Unexpected Spin-Crossover and a Low-Pressure Phase Change in an Iron(II)/Dipyrazolylpyridine Complex Exhibiting a High-Spin Jahn-Teller Distortion.","Inorganic chemistry","2015","54","13","6319","6330","10.1021/acs.inorgchem.5b00614","","","0.71073","MoKα","","0.0601","0.0587","","","0.14","0.1406","","","","","","1.184","","","","has coordinates,has disorder","141322","2020-10-21","18:00:00",""
"4344042","26.3865","0.0006","26.3865","0.0006","47.5157","0.0017","90","","90","","90","","33082.7","1.6","150","2","150","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C72 H60 N6 Ni O22 U2 -","- C72 H57 N6 Ni O22 U2 -","- C1152 H912 N96 Ni16 O352 U32 -","16","1","","Thuéry, Pierre; Harrowfield, Jack","Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks.","Inorganic chemistry","2015","54","16","8093","8102","10.1021/acs.inorgchem.5b01323","","","0.71073","MoKα","","0.0747","0.0482","","","0.1155","0.1234","","","","","","1.034","","","","has coordinates","160494","2020-10-21","18:00:00",""
"4344341","5.854","","5.854","","25.42","","90","","90","","90","","871.126","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","K2 (Cu F4)","","- Cu F4 K2 -","- Cu F4 K2 -","- Cu8 F32 K16 -","8","0.5","","Reinen, D.; Krause, S.","Local and cooperative Jahn-Teller interactions of copper(II) in host lattices with tetragonally compressed octahedra. Spectroscopic and structural investigation of the mixed crystals K (Rb)2 Zn1-x Cux F4","Inorganic Chemistry","1981","20","","2750","2759","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344971","19.0932","0.0018","19.0932","0.0018","22.727","0.002","90","","90","","90","","8285.1","1.3","300","2","299.68","","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C36 H38 O7 Pt S4 Zn -","- C36 H38 O7 Pt S4 Zn -","- C288 H304 O56 Pt8 S32 Zn8 -","8","0.5","","Baddour, Frederick G.; Hyre, Ariel S.; Guillet, Jesse L.; Pascual, David; Lopez-de-Luzuriaga, José Maria; Alam, Todd M.; Bacon, Jeffrey W.; Doerrer, Linda H.","Pt-Mg, Pt-Ca, and Pt-Zn Lantern Complexes and Metal-Only Donor-Acceptor Interactions.","Inorganic chemistry","2017","56","1","452","469","10.1021/acs.inorgchem.6b02372","","","1.54178","CuKα","","0.0422","0.0416","","","0.1223","0.1231","","","","","","1.079","","","","has coordinates,has disorder","191349","2020-10-21","18:00:00",""
"4346657","24.072","0.002","24.072","0.002","54.827","0.01","90","","90","","90","","31770","7","173","","173","","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C96 H256 Br14 N6 O32 Ti6 -","- C96 H256 Br14 N6 O32 Ti6 -","- C768 H2048 Br112 N48 O256 Ti48 -","8","0.5","","Zhang, Guanyun; Hou, Jie; Li, Mingzhong; Tung, Chen-Ho; Wang, Yifeng","Counteranion-Stabilized Titanium(IV) Isopolyoxocationic Clusters Isolated from Water.","Inorganic chemistry","2016","55","10","4704","4709","10.1021/acs.inorgchem.5b01901","","","0.71073","MoKα","","0.1248","0.0665","","","0.1323","0.153","","","","","","1.013","","","","has coordinates,has disorder","231908","2020-10-21","18:00:00",""
"4501489","21.256","0.003","21.256","0.003","15.112","0.003","90","","90","","90","","6827.9","1.9","200","","200","","","","","","","","","6","I -4 c 2","I -4 -2c","120","","[Zn(F1)2(H2O)](ClO4)2","","- C30 H26 Cl2 N12 O9 Zn -","- C30 H26 Cl2 N12 O9 Zn -","- C240 H208 Cl16 N96 O72 Zn8 -","8","0.5","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Interpenetrating and Self-Penetrating Zinc(II) Complexes with Rigid Tripodal Imidazole-Containing Ligand and Benzenedicarboxylate","Crystal Growth & Design","2010","10","4","1911","","10.1021/cg100020t","","","0.71075","MoKα","","0.0458","0.038","","","0.0891","0.0934","","","","","","1.034","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4514874","15.4852","0.0008","15.4852","0.0008","26.1457","0.0016","90","","90","","90","","6269.5","0.6","100","2","100","2","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- C19 H26 O -","- C19 H26 O -","- C304 H416 O16 -","16","1","","Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko","Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes","ACS Catalysis","2019","9","3","1973","","10.1021/acscatal.8b05114","","","0.71073","MoKα","","0.0701","0.0466","","","0.0968","0.1096","","","","","","1.065","","","","has coordinates,has disorder","220032","2020-10-21","18:00:00",""
"4516837","17.0405","0.0003","17.0405","0.0003","28.3198","0.001","90","","90","","90","","8223.5","0.4","100","2","100","2","","","","","","","","7","I -4 c 2","I -4 -2c","120","","","","- C40 H32 B Cl2 Cr F20 O4 -","- C40 H32 B Cl2 Cr F20 O4 -","- C320 H256 B8 Cl16 Cr8 F160 O32 -","8","0.5","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.0752","0.038","","","0.0654","0.0745","","","","","","0.988","","","","has coordinates","239581","2020-10-21","18:00:00",""
"4518405","22.9846","0.0009","22.9846","0.0009","23.4908","0.0012","90","","90","","90","","12410","0.9","158","2","158","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C18 H10 N2 Ni O4 -","- C18 H10 N2 Ni O4 -","- C288 H160 N32 Ni16 O64 -","16","1","","Li, Yong-Zhi; Wang, Gang-Ding; Ma, Li-Na; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Multiple Functions of Gas Separation and Vapor Adsorption in a New MOF with Open Tubular Channels.","ACS applied materials & interfaces","2021","13","3","4102","4109","10.1021/acsami.0c21554","","","0.71073","MoKα","","0.0892","0.0653","","","0.1718","0.1952","","","","","","1.036","","","","has coordinates","261496","2021-02-04","03:29:27",""
"7005487","13.2301","0.0004","13.2301","0.0004","15.8544","0.0004","90","","90","","90","","2775.08","0.14","120","2","120","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","catena-((bis(mu-trans-bis(3,5-dimethyl-1H- pyrazolyl)selenide)) zinc(ii)) dinitrate","catena-{(bis[mu-trans-bis(3,5-dimethyl-1H-pyrazolyl)selenide]) zinc(II)} dinitrate","","- C20 H28 N10 O6 Se2 Zn -","- C20 H28 N10 O6 Se2 Zn -","- C80 H112 N40 O24 Se8 Zn4 -","4","0.25","","Seredyuk, Maksym; Haukka, Matti; Fritsky, Igor O.; Kozłowski, Henryk; Krämer, Roland; Pavlenko, Vadim A.; Gütlich, Philipp","Bis(3,5-dimethyl-1H-pyrazolyl)selenide‒a new bidentate bent connector for preparation of 1D and 2D co-ordination polymers.","Dalton transactions (Cambridge, England : 2003)","2007","","29","3183","3194","10.1039/b702574b","","","0.71073","MoKα","","0.0283","0.0242","","","0.0591","0.0607","","","","","","1.121","","","","has coordinates","179758","2020-10-21","18:00:00",""
"7026397","19.6226","0.0004","19.6226","0.0004","14.2086","0.0006","90","","90","","90","","5471","0.3","293","2","293","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C16 H12 Ca Cd O12 -","- C16 H12 Ca Cd O12 -","- C128 H96 Ca8 Cd8 O96 -","8","0.5","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","Syntheses, topological analyses, and NLO-active properties of new Cd(II)/M(II) (M = Ca, Sr) metal-organic frameworks based on R-isophthalic acids (R = H, OH, and t-Bu).","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10719","10728","10.1039/c0dt00390e","","","0.71073","MoKα","","0.0366","0.0357","","","0.0984","0.0995","","","","","","1.066","","","","has coordinates","179969","2020-10-21","18:00:00",""
"7034880","14.504","0.0003","14.504","0.0003","18.6975","0.0005","90","","90","","90","","3933.32","0.16","100","2","100","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C15 H32 Cl O P2 Rh -","- C15 H32 Cl O P2 Rh -","- C120 H256 Cl8 O8 P16 Rh8 -","8","0.5","","Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul","Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9450","9469","10.1039/c5dt00819k","","","0.71073","MoKα","","0.0247","0.0194","","","0.0344","0.0354","","","","","","1.018","","","","has coordinates,has disorder","138663","2020-10-21","18:00:00",""
"7036821","16.6009","0.0008","16.6009","0.0008","25.9072","0.0016","90","","90","","90","","7139.8","0.7","120","","120","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C76 H64 N4 Ni2 P6 -","- C76 H64 N4 Ni2 P6 -","- C304 H256 N16 Ni8 P24 -","4","0.25","","Evers-McGregor, Deirdra A; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","N-heterocyclic phosphenium and phosphido nickel complexes supported by a pincer ligand framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1918","1929","10.1039/c5dt03549j","","","0.71073","MoKα","","0.0637","0.0514","","0.1284","0.122","0.1284","","","","","","0.9777","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7043256","13.197","0.003","13.197","0.003","16.739","0.003","90","","90","","90","","2915.3","1.1","293","2","293.15","","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C21 H13 Cl3 Mn4 N8 O10 -","- C21 H13 Cl3 Mn4 N8 O10 -","- C84 H52 Cl12 Mn16 N32 O40 -","4","0.25","","Sun, Rui; Gao, Su-Mei; Wang, Shao-Qiang; Song, Wei-Chao; zhao, Jiong Peng; liu, fuchen","Co-ligand Tuned Pyrimidine-2-carboxylate Mn(II) Complexes from 2D 63 Layer to Interpenetrated Srs-net","Dalton Trans.","2017","","","","","10.1039/C7DT01045A","","","0.71073","MoKα","","0.0643","0.0563","","","0.0855","0.0877","","","","","","1.217","","","","has coordinates,has disorder","197553","2020-10-21","18:00:00",""
"7108883","30.233","0.002","30.233","0.002","22.671","0.003","90","","90","","90","","20722","3","150","2","150","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C87 H153 N17 Ni3 O27 -","- C75 H102 N17 Ni3 O12 -","- C600 H816 N136 Ni24 O96 -","8","0.5","","Ping Ju; Long Jiang; Tong-Bu Lu","An unprecedented dynamic porous metal-organic framework assembled from fivefold interlocked closed nanotubes with selective gas adsorption behaviors","Chemical communications (Cambridge, England)","2013","49","18","1820","1822","10.1039/c3cc38519a","","","1.5418","CuKα","","0.18","0.1244","","","0.1931","0.2066","","","","","","1.077","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7115008","16.1403","0.0009","16.1403","0.0009","18.1409","0.0014","90","","90","","90","","4725.9","0.5","183","2","183","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Trans,trans-bis(bis-(1,2-bisdimethylphosphinoethane)acetylide- manganese)-mu-1,3-butadiyne hexafluorophosphate","","- C32 H66 F6 Mn2 P9 -","- C32 H66 F6 Mn2 P9 -","- C128 H264 F24 Mn8 P36 -","4","0.25","","Fernández, Francisco J.; Blacque, Olivier; Alfonso, Montserrat; Berke, Heinz","A facile and new type of route to the redox-active rigid-rod complex [{Mn(dmpe)2(CCH)}2(μ-C4)][PF6] via Mn‒C2˙ radical coupling","Chemical Communications","2001","","14","1266","","10.1039/b102396a","","","0.71073","MoKα","","0.0529","0.0303","","","0.0732","0.0777","","","","","","0.807","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7121418","21.432","0.003","21.432","0.003","28.249","0.006","90","","90","","90","","12976","4","100","2","100","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C23 H32 B2 Fe N8 O4 -","- C23 H24 B2 Fe N8 O4 -","- C368 H384 B32 Fe16 N128 O64 -","16","1","","Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.","Chemical communications (Cambridge, England)","2018","54","34","4262","4265","10.1039/c8cc00678d","","","0.65","synchrotron","","0.0948","0.0597","","","0.1832","0.2013","","","","","","1.065","","","","has coordinates","228583","2020-10-21","18:00:00",""
"7121419","22.012","0.003","22.012","0.003","28.983","0.006","90","","90","","90","","14043","4","298","2","298","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C23.75 H24 B2 Fe N8 O1.5 -","- C23.75 H24 B2 Fe N8 O1.5 -","- C380 H384 B32 Fe16 N128 O24 -","16","1","","Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.","Chemical communications (Cambridge, England)","2018","54","34","4262","4265","10.1039/c8cc00678d","","","0.7","synchrotron","","0.0679","0.0638","","","0.2201","0.2254","","","","","","1.095","","","","has coordinates","228583","2020-10-21","18:00:00",""
"7121420","22.018","0.003","22.018","0.003","29.028","0.006","90","","90","","90","","14073","4","298","2","298","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C23 H24 B2 Fe N8 -","- C23 H24 B2 Fe N8 -","- C368 H384 B32 Fe16 N128 -","16","1","","Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.","Chemical communications (Cambridge, England)","2018","54","34","4262","4265","10.1039/c8cc00678d","","","0.7","synchrotron","","0.0593","0.0563","","","0.1955","0.1995","","","","","","1.052","","","","has coordinates","228583","2020-10-21","18:00:00",""
"7121421","22.005","0.003","22.005","0.003","28.943","0.006","90","","90","","90","","14015","4","273","2","273","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C23.75 H24 B2 Fe N8 O1.5 -","- C23.75 H24 B2 Fe N8 O1.5 -","- C380 H384 B32 Fe16 N128 O24 -","16","1","","Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.","Chemical communications (Cambridge, England)","2018","54","34","4262","4265","10.1039/c8cc00678d","","","0.7","synchrotron","","0.0733","0.0695","","","0.2317","0.2374","","","","","","1.063","","","","has coordinates","228583","2020-10-21","18:00:00",""
"7121422","22.056","0.003","22.056","0.003","29.005","0.006","90","","90","","90","","14110","4","200","2","200","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C25.5 H24 B2 Fe N8 O5 -","- C25.5 H24 B2 Fe N8 O5 -","- C408 H384 B32 Fe16 N128 O80 -","16","1","","Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.","Chemical communications (Cambridge, England)","2018","54","34","4262","4265","10.1039/c8cc00678d","","","0.7","synchrotron","","0.1987","0.134","","","0.3456","0.3826","","","","","","1.244","","","","has coordinates","228583","2020-10-21","18:00:00",""
"7121423","21.983","0.003","21.983","0.003","28.972","0.006","90","","90","","90","","14001","4","298","2","298","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C23 H32 B2 Fe N8 O4 -","- C23 H24 B2 Fe N8 O4 -","- C368 H384 B32 Fe16 N128 O64 -","16","1","","Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.","Chemical communications (Cambridge, England)","2018","54","34","4262","4265","10.1039/c8cc00678d","","","0.8","synchrotron","","0.0987","0.0792","","","0.2306","0.249","","","","","","1.001","","","","has coordinates","228583","2020-10-21","18:00:00",""
"7206788","16.8164","0.0007","16.8164","0.0007","14.3925","0.0009","90","","90","","90","","4070.1","0.3","123","2","123","2","","","","","","","synthesis as described","5","I -4 c 2","I -4 -2c","120","","","","- C22 H28 I4 N8 O8 -","- C22 H28 I4 N8 O8 -","- C88 H112 I16 N32 O32 -","4","0.25","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0676","0.0562","","","0.1228","0.1261","","","","","","1.197","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7209420","8.847","","8.847","","8.178","","90","","90","","90","","640.087","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- Au4 K Sn2 -","- Au4 K Sn2 -","- Au16 K4 Sn8 -","4","0.25","","Sinnen, H.D.; Schuster, H.U.","Darstellung und Struktur des K Au4 Sn2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","1077","1079","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7232869","26.343","0.007","26.343","0.007","37.301","0.011","90","","90","","90","","25885","12","150","","150","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C21 H3 Mn5 N6 O24 -","- C21 H3 Mn5 N6 O24 -","- C336 H48 Mn80 N96 O384 -","16","1","","Zhang, Tao; Ling, Bo-Kai; Hu, Yue-Qiao; Han, Tian; Zheng, Yan-Zhen","An anionic manganese(ii) metal‒organic framework for uranyl adsorption","CrystEngComm","2019","21","26","3901","","10.1039/C9CE00603F","","","0.71073","MoKα","","0.1094","0.0926","","","0.2405","0.2546","","","","","","1.044","","","","has coordinates","223572","2020-10-21","18:00:00",""
"8102694","21.2333","0.0009","21.2333","0.0009","15.1649","0.0013","90","","90","0.001","90","","6837.1","0.7","293","2","293","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","atena-poly[[(bis(1,3,5-tris(1-imidazolyl)benzene))zinc(II) monohydrate]bis(perchlorate)], [Zn(C~15~H~12~N~6~)~2~(H~2~O)]~n~.2(ClO~4~)","","- C30 H26 Cl2 N12 O9 Zn -","- C30 H26 Cl2 N12 O9 Zn -","- C240 H208 Cl16 N96 O72 Zn8 -","8","0.5","","Yi-Fang Deng","Crystal structure of catena-aqua(bis(1,3,5-tris(1-imidazolyl)benzene))zinc(II) perchlorate, [Zn(C15H12N6)2(H2O)](ClO4)2","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","331","","","","","0.71073","MoKα","","0.0707","0.061","","","0.144","0.1505","","","","","","1.049","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8104199","9.099","","9.099","","13.66","","90","","90","","90","","1130.94","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- O6 P4 S4 -","- O6 P4 S4 -","- O24 P16 S16 -","4","0.25","","Frick, F.; Jansen, M.","Crystal structure of 2,4,6,8,10-hexa-1,3,5,7-tetraphosphatricyclo(3.3.1.1)decan 1,3,5,7-tetrasulfide, O6 P4 S4","Zeitschrift fuer Kristallographie (149,1979-)","1994","209","","985","985","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""