# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:51:40+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n -3 m :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
"1008010","12.506","0.005","12.506","0.005","12.506","0.005","90","","90","","90","","1955.9","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Aquaoxonium dodecatungstophosphate","","- H15 O46 P W12 -","- H15 O46 P W12 -","- H30 O92 P2 W24 -","2","0.0416667","","Brown, G M; Noe-Spirlet, M R; Busing, W R; Levy, H A","Dodecatungstophosphoric acid hexahydrate, (H~5~ O~2~)~3~ (P W~12~ O~40~), the true structure of Keggin's 'pentahydrate' from single crystal X-ray and neutron diffraction data","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1038","1046","10.1107/S0567740877005330","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008011","12.506","0.005","12.506","0.005","12.506","0.005","90","","90","","90","","1955.9","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Aquaoxonium dodecatungstophosphate","","- H15 O46 P W12 -","- H27 O46 P W12 -","- H54 O92 P2 W24 -","2","0.0416667","","Brown, G M; Noe-Spirlet, M R; Busing, W R; Levy, H A","Dodecatungstophosphoric acid hexahydrate, (H~5~ O~2~)~3~ (P W~12~ O~40~), the true structure of Keggin's 'pentahydrate' from single crystal X-ray and neutron diffraction data","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1038","1046","10.1107/S0567740877005330","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010641","10.92","","10.92","","10.92","","90","","90","","90","","1302.2","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Hexaamminecobalt(III) iodide","","- Co H18 I3 N6 -","- Co H18 I3 N6 -","- Co4 H72 I12 N24 -","4","0.0833333","","Stoll, P","Raumgitter von Komplexsalzen","Diss. ETH Zuerich","1926","1","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508031","19.3329","0.0005","19.3329","0.0005","19.3329","0.0005","90","","90","","90","","7225.9","0.3","293","2","293","2","","","","","","","","7","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C40 H40 Ag26 N60 O80 P2 W24 -","- C36 H36 Ag26.04 N54 O80 P2 W24 -","- C72 H72 Ag52.08 N108 O160 P4 W48 -","2","0.0416667","","Kuang, Xiaofei; Wu, Xiaoyuan; Yu, Rongmin; Donahue, James P.; Huang, Jinshun; Lu, Can-Zhong","Assembly of a metal-organic framework by sextuple intercatenation of discrete adamantane-like cages.","Nature chemistry","2010","2","6","461","465","10.1038/nchem.618","","","0.71073","MoKα","","0.0791","0.0771","","","0.2306","0.2356","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1526364","6.1885","","6.1885","","6.1885","","90","","90","","90","","237.004","","","","","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","Si C2 N4","","- C2 N4 Si -","- C2 N4 Si -","- C4 N8 Si2 -","2","0.0416667","","Riedel, R.; Greiner, A.; Aldinger, F.; Bill, J.; Miehe, G.; Fuess, H.; Dressler, W.","The first crystalline solids in the ternary Si - C - N system","Angewandte Chemie (Edition international)","1997","36","","603","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526762","12.1368","","12.1368","","12.1368","","90","","90","","90","","1787.77","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","H3 P W12 O40 (H2 O)6.12","","- H15.24 O46.12 P W12 -","- O46.12 P W12 -","- O92.24 P2 W24 -","2","0.0416667","","Kremenovic, A.; Spasojevic-de Bire, A.; Sciau, P.; Dimitrijevic, R.; Mioc, U.B.; Colomban, P.","Keggin's ion structural modification and expansion of dodecatungstophosphoric acid hexahydrate induced by temperature treatment : in situ X-ray powder diffraction and Raman investigations","Solid State Ionics","2000","132","","39","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526764","12.1555","","12.1555","","12.1555","","90","","90","","90","","1796.05","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","H3 P W12 O40 (H2 O)6","","- H15 O46 P W12 -","- O46 P W12 -","- O92 P2 W24 -","2","0.0416667","","Kremenovic, A.; Spasojevic-de Bire, A.; Colomban, P.; Sciau, P.; Dimitrijevic, R.; Mioc, U.B.","Keggin's ion structural modification and expansion of dodecatungstophosphoric acid hexahydrate induced by temperature treatment : in situ X-ray powder diffraction and Raman investigations","Solid State Ionics","2000","132","","39","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526944","5.339","","5.339","","5.339","","90","","90","","90","","152.188","","","","","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","Be (C N)2","","- C2 Be N2 -","- C2 Be N2 -","- C4 Be2 N4 -","2","0.0416667","","Williams, D.; Pleune, B.; Kouvetakis, J.; Leinenweber, K.","Synthesis and structural properties of the binary framework C - N compounds of Be, Mg, Al and Tl","Journal of Solid State Chemistry","2001","159","","244","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526945","6.122","","6.122","","6.122","","90","","90","","90","","229.446","","","","","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","Mg (C N)2","","- C2 Mg N2 -","- C2 Mg N2 -","- C4 Mg2 N4 -","2","0.0416667","","Williams, D.; Kouvetakis, J.; Pleune, B.; Leinenweber, K.","Synthesis and structural properties of the binary framework C - N compounds of Be, Mg, Al and Tl","Journal of Solid State Chemistry","2001","159","","244","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527051","7.767","","7.767","","7.767","","90","","90","","90","","468.554","","","","","","","","","","","","","13","P n -3 m :2","-P 4bc 2bc 3","224","","(Na0.475 Ca0.118 Ce0.19 La0.08 Nd0.04 Th0.01 Sr0.05 Pr0.01 Eu0.0075 Sm0.01) (Ti0.865 Nb0.135) O3","","- Ca0.118 Ce0.19 Eu0.0075 La0.08 Na0.475 Nb0.135 Nd0.04 O3 Pr0.01 Sm0.01 Sr0.05 Th0.01 Ti0.865 -","- Ca0.1175 Ce0.19 Eu0.0075 La0.08 Na0.475 Nb0.135 Nd0.04 O3 Pr0.01 Sm0.01 Sr0.05 Th0.01 Ti0.865 -","- Ca0.94 Ce1.52 Eu0.06 La0.64 Na3.8 Nb1.08 Nd0.32 O24 Pr0.08 Sm0.08 Sr0.4 Th0.08 Ti6.92 -","8","0.166667","","Zubkova, N.V.; Arakcheeva, A.V.; Pushcharovskii, D.Yu.; Semenov, E.I.; Atencio, D.","Crystal structure of loparite","Kristallografiya","2000","45","","242","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531590","12.0772","","12.0772","","12.0772","","90","","90","","90","","1761.56","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","H3 P W12 O40 (H2 O)6","","- H15 O46 P W12 -","- H15 O46 P W12 -","- H30 O92 P2 W24 -","2","0.0416667","","Kremenovic, A.; Bouree, F.; Spasojevic-de Bire, A.; Colomban, P.; Mioc, U.B.; Davidovic, M.; Dimitrijevic, R.","Structural modifications of dodecatungstophosphoric acid hexahydrate induced by temperature in the 10 - 358 K range. In situ high-resolution neutron powder diffraction investigation","Solid State Ionics","2002","150","","431","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532850","11.795","","11.795","","11.795","","90","","90","","90","","1640.94","","","","","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","(Mo O2)0.41 (P Mo14 O42)","","- Mo14.41 O42.82 P -","- Mo14.427 O41.935 P -","- Mo28.854 O83.87 P2 -","2","0.0416667","","Marosi, L.; Cifre, J.; Otero Arean, C.","X-ray powder diffraction analysis of the heteropoly-molybdate (Mo O2)0.5 P Mo14 O42","Powder Diffraction","2003","18","","236","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537009","5.45","","5.45","","5.45","","90","","90","","90","","161.879","","","","","","","","","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi4 O6 -","2","0.0416667","","Zav'yalova, A.A.; Imamov, R.M.","Special features of the crystal structure of bismuth oxides","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1972","13","","869","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538611","3.3501","","3.3501","","3.3501","","90","","90","","90","","37.599","","","","295.15","","","","2600000","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","","","- D2 O -","- D2 O -","- D4 O2 -","2","0.0416667","","Jorgensen, James D.; Worlton, Thomas G.","Disordered structure of D2O ice VII from in situ neutron powder diffraction","Journal of Chemical Physics","1985","83","1","329","333","10.1063/1.449867","powder diffraction","","","","","","","","","","","","","","","","","","1566716","","has coordinates","275303","2022-05-10","15:00:47",""
"1541850","4.13","","4.13","","4.13","","90","","90","","90","","70.445","","","","","","","","","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","W N","","- N W -","- N W -","- N4 W4 -","4","0.0833333","","Khitrova, V.I.; Pinsker, Z.G.","An electron-diffraction study of cubic tungsten nitride","Kristallografiya","1959","4","","545","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1566642","3.344","0.002","3.344","","3.344","","90","","90","","90","","37.39","0.02","","","","","","","","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","Ice VII","","- D2 O -","- D4 O -","- D8 O2 -","2","0.0416667","","Kuhs, W. F.; Finney, J. L.; Vettier, C.; Bliss, D. V.","Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction","Journal of Chemical Physics","1984","81","","3612","","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","273836","2022-03-20","05:58:02",""
"1566716","3.3501","0.0001","3.3501","","3.3501","","90","","90","","90","","37.5987","0.0011","","","295.15","","","","2600000","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","Ice VII","","- D2 O -","- D2 O -","- D4 O2 -","2","0.0416667","","Jorgensen, James D.; Worlton, Thomas G.","Disordered structure of D2O ice VII from in situ neutron powder diffraction","Journal of Chemical Physics","1985","83","1","329","333","10.1063/1.449867","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","275303","2022-05-10","15:00:48",""
"2002655","9.4164","0.0013","9.4164","0.0013","9.4164","0.0131","90","","90","","90","","834.9","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Dilead holmium trialuminate","","- Al3 Ho O8 Pb2 -","- Al3 Ho O8 Pb2 -","- Al12 Ho4 O32 Pb8 -","4","0.0833333","","Scheikowski, M; Mueller-Buschbaum, Hk","Zur Kristallstruktur der Blei-Lanthanoid-Oxoaluminate. Zur Kenntnis von Pb2 Ho Al3 O8 und Pb2 Lu Al3 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1755","1758","10.1002/zaac.19936191022","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002656","9.3486","0.0008","9.3486","0.0008","9.3486","0.0008","90","","90","","90","","817","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Dilead lutetium trialuminate","","- Al3 Lu O8 Pb2 -","- Al3 Lu O8 Pb2 -","- Al12 Lu4 O32 Pb8 -","4","0.0833333","","Scheikowski, M; Mueller-Buschbaum, Hk","Zur Kristallstruktur der Blei-Lanthanoid-Oxoaluminate. Zur Kenntnis von Pb2 Ho Al3 O8 und Pb2 Lu Al3 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1755","1758","10.1002/zaac.19936191022","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002769","9.4578","0.0005","9.4578","0.0005","9.4578","0.0005","90","","90","","90","","846","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Trialuminium europium dilead octaoxide","","- Al3 Eu O8 Pb2 -","- Al3 Eu O8 Pb2 -","- Al12 Eu4 O32 Pb8 -","4","0.0833333","","Mueller-Buschbaum, Hk; Werner, J-P","Synthese und Kristallstruktur von Pb2 Ln Al3 O8 (Ln= Eu, Gd)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","883","887","","","","","","","0.0778","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002770","9.4448","0.0007","9.4448","0.0007","9.4448","0.0007","90","","90","","90","","842.5","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Trialuminium gadolinium dilead octaoxide","","- Al3 Gd O8 Pb2 -","- Al3 Gd O8 Pb2 -","- Al12 Gd4 O32 Pb8 -","4","0.0833333","","Mueller-Buschbaum, Hk; Werner, J-P","Synthese und Kristallstruktur von Pb2 Ln Al3 O8 (Ln= Eu, Gd)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","883","887","","","","","","","0.1117","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002822","9.5143","0.001","9.5143","0.001","9.5143","0.001","90","","90","","90","","861.3","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Tetraneodymium 24-oxododecaaluminate - tetralead tetraoxide (1/2)","","- Al12 Nd4 O32 Pb8 -","- Al12 Nd4 O32 Pb8 -","- Al12 Nd4 O32 Pb8 -","1","0.0208333","","Mueller-Buschbaum, Hk; Werner, J-P","Elektroneutrale Pb4 O4-Heterokubaneinheiten in den AluminatSodalithen Ln4 (Al12 O24) (Pb4 O4)2 (Ln = Nd, Sm)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","449","452","","","","","","","0.0671","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002823","9.4812","0.001","9.4812","0.001","9.4812","0.001","90","","90","","90","","852.3","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Tetrasamarium 24-oxododecaaluminate - tetralead tetraoxide (1/2)","","- Al12 O32 Pb8 Sm4 -","- Al12 O32 Pb8 Sm4 -","- Al12 O32 Pb8 Sm4 -","1","0.0208333","","Mueller-Buschbaum, Hk; Werner, J-P","Elektroneutrale Pb4O4-Heterokubaneinheiten in den AluminatSodalithen Ln4 Al12O24 (Pb4O4)2 (Ln = Nd, Sm)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","449","452","","","","","","","0.1103","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010721","12.18","0.001","12.18","0.001","12.18","0.001","90","","90","","90","","1806.9","0.3","160","2","160","2","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","","hexaammonium tetra-μ~3~-selenido-tetrakis[tricyanomolybdenum] hexahydrate","","- C12 H36 Mo4 N18 O6 Se4 -","- C12 H36 Mo4 N18 O6 Se4 -","- C24 H72 Mo8 N36 O12 Se8 -","2","0.0416667","GS1060","Virovets, Alexander V.; Fedin, Vladimir P.; Samsonenko, Denis G.; Clegg, William","A new cluster complex, (NH~4~)~6~[Mo~4~Se~4~(CN)~12~]·6H~2~O, containing a tetranuclear mixed-valence molybdenum core","Acta Crystallographica Section C","2000","56","3","272","273","10.1107/S0108270199015644","","","0.71073","MoKα","","0.08","0.068","","","","0.184","","","","","","1.48","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2204093","11.5621","0.0008","11.5621","0.0008","11.5621","0.0008","90","","90","","90","","1545.65","0.19","293","2","298","2","","","","","","","","5","P n -3 m :2","-P 4bc 2bc 3","224","Potassium/hydronium 12-Tungstophosphate","","","- H1.62 K2.46 O40.54 P W12 -","- K2.46 O40.54 P W12 -","- K4.92 O81.08 P2 W24 -","2","0.0416667","WM6022","Youjun Kang; Manrong Li; Jingtai Zhao; Shaoyu Mao","The Keggin-type potassium/hydronium 12-tungstophosphate, K~2.4~(H~3~O)~0.6~PO~4~W~12~O~36~","Acta Crystallographica Section E","2004","60","8","i97","i99","10.1107/S160053680401551X","","","0.71073","MoKα","","0.0445","0.0377","","","0.0878","0.0915","","","","","","1.149","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210407","11.66078","0.00013","11.66078","0.00013","11.66078","0.00013","90","","90","","90","","1585.56","0.03","295","2","295","2","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","trirubidium phosphate dodecatungstate","","- O40 P Rb3 W12 -","- O40 P Rb3 W12 -","- O80 P2 Rb6 W24 -","2","0.0416667","WM2037","Mao, Shao-Yu; Ren, Xiao-Xia; Liu, Xiao-Xuan; Mi, Jin-Xiao","Rb~3~PO~4~W~12~O~36~ from X-ray powder data","Acta Crystallographica Section E","2006","62","9","i187","i189","10.1107/S1600536806030832","","","1.5405","CuKα~1~","","","","","","","","","","1.01","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2216158","11.67521","0.00008","11.67521","0.00008","11.67521","0.00008","90","","90","","90","","1591.45","0.019","293","","293","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","trirubidium molybdophosphate","","- Mo12 O40 P Rb3 -","- Mo12 O40 P Rb3 -","- Mo24 O80 P2 Rb6 -","2","0.0416667","WM2153","P. Armand; D. Granier; A. van der Lee","Rb~3~[PMo~12~O~40~], a compound containing Keggin anions","Acta Crystallographica Section E","2007","63","11","i191","i191","10.1107/S1600536807052506","","","0.71073","MoKα","","0.0419","0.0325","","0.0855","0.0851","0.0855","","","","","","0.9066","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4107187","17.61","0.0005","17.61","0.0005","17.61","0.0005","90","","90","","90","","5461.1","0.3","293","2","293","2","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Cu12 K12 Sn21 -","- Cu12 K12.005 Sn21 -","- Cu48 K48.02 Sn84 -","4","0.0833333","","Saskia Stegmaier; Thomas F. Fässler","A Bronze Matryoshka: The Discrete Intermetalloid Cluster [Sn@Cu12@Sn20]^12-^ in the Ternary Phases A~12~Cu~12~Sn~21~ (A = Na, K)","Journal of the American Chemical Society","2011","133","","19758","19768","10.1021/ja205934p","","x-ray","0.71073","MoKα","","0.0417","0.04","","","0.0613","0.0618","","","","","","1.519","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107188","16.6253","0.0003","16.6253","0.0003","16.6253","0.0003","90","","90","","90","","4595.24","0.14","293","2","293","2","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Cu4 Na4 Sn7 -","- Cu4 Na4.08667 Sn7 -","- Cu48 Na49.04 Sn84 -","12","0.25","","Saskia Stegmaier; Thomas F. Fässler","A Bronze Matryoshka: The Discrete Intermetalloid Cluster [Sn@Cu12@Sn20]^12-^ in the Ternary Phases A~12~Cu~12~Sn~21~ (A = Na, K)","Journal of the American Chemical Society","2011","133","","19758","19768","10.1021/ja205934p","","x-ray","0.71073","MoKα","","0.0356","0.0354","","","0.0716","0.0716","","","","","","1.643","","","","has coordinates","289785","2024-02-12","08:29:27",""
"4112316","15.6475","0.0005","15.6475","0.0005","15.6475","0.0005","90","","90","","90","","3831.2","0.2","298","2","298","2","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","[Cu(2-pymo)2]n.[Li(H2O)4]n/3(NO3)n/3","","","- C24 H26 Cu3 Li N13 O13 -","- C24 Cu3 Li N13 O12.98 -","- C96 Cu12 Li4 N52 O51.92 -","4","0.0833333","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","0.71073","MoKα","","0.0792","0.0631","","","0.181","0.1939","","","","","","1.117","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112317","15.6702","0.0005","15.6702","0.0005","15.6702","0.0005","90","","90","","90","","3847.9","0.2","298","2","298","2","","","","","","","SYNTHETIC","5","P n -3 m :2","-P 4bc 2bc 3","224","[Cu(2-pymo)2]n.(NH4NO3.2H2O)n/3","","","- C24 H24.5 Cu3 N14 O12.25 -","- C24 Cu3 N14.02 O12.29 -","- C96 Cu12 N56.08 O49.16 -","4","0.0833333","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","0.71073","MoKα","","0.2206","0.0809","","","0.2247","0.3154","","","","","","0.967","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4115419","15.76","0.0003","15.76","0.0003","15.76","0.0003","90","","90","","90","","3914.43","0.13","293","2","293","2","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C24 H30 Cl Cu3 N13 O14 -","- C24 H18 Cl Cu3 N13.02 O12.04 -","- C96 H72 Cl4 Cu12 N52.08 O48.16 -","4","0.0833333","","Leandro C. Tabares; Jorge A. R. Navarro; Juan M. Salas","Cooperative Guest Inclusion by a Zeolite Analogue Coordination Polymer. Sorption Behavior with Gases and Amine and Group 1 Metal Salts","Journal of the American Chemical Society","2001","123","","383","387","10.1021/ja002624a","","","0.71073","MoKα","","0.1114","0.0649","","","0.1911","0.2233","","","","","","1.084","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4119770","5.89986","0.00021","5.899858","","5.899858","","90","","90","","90","","205.364","0.007","","","295","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C4 N4 Zn2 -","2","0.0416667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618323","synchrotron","","","","","","","","","","0.927","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119771","5.7707","0.0021","5.7707","","5.7707","","90","","90","","90","","192.17","0.07","295","","295","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C4 N4 Zn2 -","2","0.0416667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618323","synchrotron","","","","","","","","","","0.415","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4318188","4.73061","0.00006","4.73061","","4.73061","","90","","90","","90","","105.865","0.0013","","","","","","","","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Ag2 O -","- Ag2 O -","- Ag4 O2 -","2","0.0416667","","P. Norby; R. Dinnebier; A. N. Fitch","Decomposition of Silver Carbonate; the Crystal Structure of Two High-Temperature Modifications of Ag2CO3","Inorganic Chemistry","2002","41","","3628","3637","10.1021/ic0111177","powder diffraction","","","","","","","","","","","","","2.16","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4337265","18.2949","0.0007","18.2949","0.0007","18.2949","0.0007","90","","90","","90","","6123.4","0.4","296","2","296","2","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C96 H108 Ag12 I6 P6 S12 -","- C96 H108 Ag12 I6 P6 S12 -","- C192 H216 Ag24 I12 P12 S24 -","2","0.0416667","","Liao, Jian-Hong; Latouche, Camille; Li, Bing; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","A twelve-coordinated iodide in a cuboctahedral silver(i) skeleton.","Inorganic chemistry","2014","53","4","2260","2267","10.1021/ic402960e","","","0.71073","MoKα","","0.0844","0.0683","","","0.208","0.2501","","","","","","1.112","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4513966","22.0484","0.0002","22.0484","0.0002","22.0484","0.0002","90","","90","","90","","10718.4","0.17","100","2","100","2","","","","","","","","7","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C26 H20 Cu4 In N5 O8 S4 -","- C24 H12 Cu4 In N4 O8 S4 -","- C144 H72 Cu24 In6 N24 O48 S24 -","6","0.125","","Han, Yi; Zheng, Hao; Liu, Kang; Wang, Hongli; Huang, Hongliang; Xie, Lin-Hua; Wang, Lei; Li, Jian-Rong","In-Situ Ligand Formation-Driven Preparation of a Heterometallic Metal-Organic Framework for Highly Selective Separation of Light Hydrocarbons and Efficient Mercury Adsorption.","ACS applied materials & interfaces","2016","8","35","23331","23337","10.1021/acsami.6b08397","","","1.54178","CuKα","","0.0639","0.0558","","","0.1463","0.1576","","","","","","0.979","","","","has coordinates","186882","2020-10-21","18:00:00",""
"7202638","16.31134","0.00085","16.31134","0.00085","16.31134","0.00085","90","","90","","90","","4339.8","0.4","298","","298","","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii) bisaquo","catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii) bisaquo","","- C8 H8 F2 N4 O4 Pd -","- C12 H8 F2 N8 O6 Pd -","- C144 H96 F24 N96 O72 Pd12 -","12","0.25","","Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi; Conchi O. Ania; José B. Parra","Borderline microporous?ultramicroporous palladium(ii) coordination polymer networks. Effect of pore functionalisation on gas adsorption properties","Journal of Materials Chemistry","2007","17","19","1939","","10.1039/b617698d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.712","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202639","16.29569","0.00084","16.29569","0.00084","16.29569","0.00084","90","","90","","90","","4327.3","0.4","400","","400","","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii)","catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii)","","- C8 H4 F2 N4 O2 Pd -","- C12 H8 F2 N8 O2 Pd -","- C144 H96 F24 N96 O24 Pd12 -","12","0.25","","Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi; Conchi O. Ania; José B. Parra","Borderline microporous?ultramicroporous palladium(ii) coordination polymer networks. Effect of pore functionalisation on gas adsorption properties","Journal of Materials Chemistry","2007","17","19","1939","","10.1039/b617698d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","5.025","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7221068","11.75","","11.75","","11.75","","90","","90","","90","","1622.23","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","H3 (P W12 O40) (H2 O)3","","- H9 O43 P W12 -","- O43 P W12 -","- O86 P2 W24 -","2","0.0416667","","Marosi, L.; Otero Arean, C.; Escalona Platero, E.; Cifre, J.","Thermal dehydration of H3+x P Vx M12-x O40 . y(H2 O) Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3 P M12 O40, of the corresponding anhydrides P M12 O38.5 and of a novel trihydrate H3 P W12 O40","Journal of Materials Chemistry","2000","10","","1949","1955","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222767","5.9132","","5.9132","","5.9132","","90","","90","","90","","206.761","","","","","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","Zn (C N)2","","- C2 N2 Zn -","- C2 N2 Zn -","- C4 N4 Zn2 -","2","0.0416667","","Reckeweg, O.; Simon, A.","X-ray and Raman investigations on cyanides of mono- and divalent metals and synthesis, crystal structure and Raman spectrum of Tl5 (C O3)2 (C N)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","895","900","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9011038","7.79","","7.79","","7.79","","90","","90","","90","","472.729","","","","","","","","","","","","Synthetic","4","P n -3 m :2","-P 4bc 2bc 3","224","","","Natanite","- Fe H6 O6 Sn -","- Fe H6 O6 Sn -","- Fe4 H24 O24 Sn4 -","4","0.0833333","","Strunz, V. H.; Contag, B.","Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur","Acta Crystallographica","1960","13","","601","603","10.1107/S0365110X60001436","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011039","7.88","","7.88","","7.88","","90","","90","","90","","489.304","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","","","- H6 Mn O6 Sn -","- H6 Mn O6 Sn -","- H24 Mn4 O24 Sn4 -","4","0.0833333","","Strunz, V. H.; Contag, B.","Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur","Acta Crystallographica","1960","13","","601","603","10.1107/S0365110X60001436","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011040","7.78","","7.78","","7.78","","90","","90","","90","","470.911","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Co H6 O6 Sn -","- Co H6 O6 Sn -","- Co4 H24 O24 Sn4 -","4","0.0833333","","Strunz, V. H.; Contag, B.","Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur","Acta Crystallographica","1960","13","","601","603","10.1107/S0365110X60001436","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011041","7.77","","7.77","","7.77","","90","","90","","90","","469.097","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","","","- H6 Mg O6 Sn -","- H6 Mg O6 Sn -","- H24 Mg4 O24 Sn4 -","4","0.0833333","","Strunz, V. H.; Contag, B.","Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur","Acta Crystallographica","1960","13","","601","603","10.1107/S0365110X60001436","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011042","8.13","","8.13","","8.13","","90","","90","","90","","537.368","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Ca H6 O6 Sn -","- Ca H6 O6 Sn -","- Ca4 H24 O24 Sn4 -","4","0.0833333","","Strunz, V. H.; Contag, B.","Hexahydroxostannate Fe, Mn, Co, Mg, Ca[Sn(OH)6] und deren kristallstruktur","Acta Crystallographica","1960","13","","601","603","10.1107/S0365110X60001436","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""