# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T12:37:52+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n c a' 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
"1010437","6.19","","11.6","","4.28","","90","","90","","90","","307.3","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","Calcium diborate","","- B2 Ca O4 -","- B2 Ca O4 -","- B8 Ca4 O16 -","4","0.5","","Zachariasen, W H","The Crystal Lattice of Calcium Metaborate, Ca B~2~ O~4~","Proceedings of the National Academy of Sciences, U.S.A.","1931","17","","617","619","10.1073/pnas.17.11.617","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010468","6.19","0.02","11.6","0.04","4.28","0.01","90","","90","","90","","307.3","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","Calcium borate *","","- B2 Ca O4 -","- B2 Ca O4 -","- B8 Ca4 O16 -","4","0.5","","Zachariasen, W H; Ziegler, G E","The Crystal Structure of Calcium Metaborate Ca B~2~ O~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","83","","354","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010915","5.082","","14.238","","5.73","","90","","90","","90","","414.6","","","","","","","","","","","","from Norway","3","P n c a","-P 2a 2n","60","","Iron niobate","Columbite","- Fe Nb2 O6 -","- Fe Nb2 O6 -","- Fe4 Nb8 O24 -","4","0.5","","Sturdivant, J H","The Crystal Structure of Columbite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","88","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1522201","9.1364","","12.5913","","9.056","","90","","90","","90","","1041.8","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","Al2 (W O4)3","","- Al2 O12 W3 -","- Al2 O12 W3 -","- Al8 O48 W12 -","4","0.5","","Woodcock, D.A.; Ritter, C.; Lightfoot, P.","Negative thermal expansion in Y2 (W O4)3","Journal of Solid State Chemistry","2000","149","","92","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1522204","10.07","","13.937","","9.98","","90","","90","","90","","1400.65","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","Y2 (W O4)3","","- O12 W3 Y2 -","- O12 W3 Y2 -","- O48 W12 Y8 -","4","0.5","","Woodcock, D.A.; Lightfoot, P.; Ritter, C.","Negative thermal expansion in Y2 (W O4)3","Journal of Solid State Chemistry","2000","149","","92","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528400","9.33504","","12.3243","","9.16613","","90","","90","","90","","1054.54","","","","","","","","","","","","","4","P n c a","-P 2a 2n","60","","Zr2 (Mo O4) (P O4)2","","- Mo O12 P2 Zr2 -","- Mo O12 P2 Zr2 -","- Mo4 O48 P8 Zr8 -","4","0.5","","Cetinkol, M.; Lee, P.L.; Wilkinson, A.P.","Structural changes accompanying negative thermal expansion on Zr2 (Mo O4) (P O4)2","Journal of Solid State Chemistry","2009","182","","1304","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529926","13.422","","10.399","","8.381","","90","","90","","90","","1169.78","","","","","","","","","","","","","4","P n c a","-P 2a 2n","60","","K3 (Fe (C N)6)","","- C6 Fe K3 N6 -","- C6 Fe K3 N6 -","- C24 Fe4 K12 N24 -","4","0.5","","Figgis, B.N.; Skelton, B.W.; White, A.H.","Crystal structures of the simple monoclinic and orthorhombic polytypes of tripotassium hexacyanoferrate(III)","Australian Journal of Chemistry","1978","31","","1195","1199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530052","14.518","","8.976","","5.081","","90","","90","","90","","662.123","","","","","","","","","","","","","4","P n c a","-P 2a 2n","60","","Na2 Ti2 O3 (Si O3)2","","- Na2 O9 Si2 Ti2 -","- Na2 O9 Si2 Ti2 -","- Na8 O36 Si8 Ti8 -","4","0.5","","Hang, C.; Simonov, M.A.; Belov, N.V.","The crystalline structure of Ramsayite Na2 Ti2 Si2 O9 = Na2 Ti2 O3 (Si2 O6)","Doklady Akademii Nauk SSSR","1969","186","","820","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533054","9.7126","","13.3824","","9.6141","","90","","90","","90","","1249.62","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","In2 (W O4)3","","- In2 O12 W3 -","- In2 O12 W3 -","- In8 O48 W12 -","4","0.5","","Richard, A.P.; Edwards, D.D.","Subsolidus phase relations and crystal structures of the mixed-oxide phases in the (In2 O3)-(W O3) system","Journal of Solid State Chemistry","2004","177","","2740","2748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541935","9.596","","13.33","","9.512","","90","","90","","90","","1216.72","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","Sc2 (W O4)3","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Abrahams, S.C.; Bernstein, J.L.","Crystal Structure of the Transition-Metal Molybdates and Tungstates. II. Diamagnetic Sc2 (W O4)3","Journal of Chemical Physics","1966","45","","2745","2752","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1562658","6.296","0.0002","6.8703","0.0002","22.9826","0.0008","90","","90","","90","","994.12","0.06","293","2","293","2","","","","","","","","4","P n c a","-P 2a 2n","60","","","","- C16 H16 Cu2 O12 -","- C16 H16 Cu2 O12 -","- C32 H32 Cu4 O24 -","2","0.25","","Nfor, Emmanuel N.; Majoumo-Mbe, Felicite; Ndifon, Peter T.; Duke, Emmanuel O.; Mainsah, Evans N.; Offiong, Offiong E.; Eno, Ededet A.","Synthesis, crystal structure, and magnetic properties of bis(aqua)[μ-(terepthalato-κo,κo′)]copper(II)monohydrate [Cu(C8O4)(OH2)2]·H2O","Journal of Solid State Chemistry","2013","201","","133","136","10.1016/j.jssc.2013.02.020","","","0.71073","MoKα","","0.159","0.1464","","","0.4624","0.4784","","","","","","2.239","","","","has coordinates","265302","2021-05-18","09:14:23",""
"1563542","9.6733","0.0004","13.3236","0.0005","9.5814","0.0004","90","","90","","90","","1234.88","0.09","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Varga, Tamas; Mitchell, J.F.; Wang, Jun; Arnold, Lindsay G.; Toby, Brian H.; Malliakas, Christos D.","High-pressure synthesis, crystal and electronic structures of a new scandium tungstate, Sc0.67WO4","Journal of Solid State Chemistry","2010","183","7","1567","1573","10.1016/j.jssc.2010.04.039","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","266527","2021-06-17","08:52:39",""
"2001271","15.214","0.006","19.077","0.008","9.991","0.004","90","","90","","90","","2900","2","","","","","","","","","","","","6","P n c a","-P 2a 2n","60","","","","- C7 H13 Br2 N5 O4 Pt -","- C7 H13 Br2 N5 O4 Pt -","- C56 H104 Br16 N40 O32 Pt8 -","8","1","CD1020","Rochon, F. D.; Melanson, R.; Farrell, N.","Structures of the nitroimidazole platinum group metal complexes <i>cis</i>-amminedibromo[1-({[(2-hydroxyethyl)amino]carbonyl}methyl)-2-nitroimidazole]platinum(II) and <i>trans</i>-dichlorobis(1-hydroxyethyl-2-methyl-5-nitroimidazole)palladium(II)","Acta Crystallographica Section C","1993","49","10","1703","1706","10.1107/S0108270193002537","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208226","2020-10-21","18:00:00",""
"2008393","11.894","0.002","18.092","0.003","11.452","0.002","90","","90","","90","","2464.3","0.7","299","","","","","","","","","","","6","P n c a","-P 2a 2n","60","","Bis(4-methylpyridine)-bis(2-thiopheneglyoxylato-O^1^,O^2^)copper(II)","","- C24 H20 Cu N2 O6 S2 -","- C24 H20 Cu N2 O6 S2 -","- C96 H80 Cu4 N8 O24 S8 -","4","0.5","OA1077","Nakasa, Kazuyuki; Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Copper(II) 2-thiopheneglyoxylate adducts with pyridine derivatives","Acta Crystallographica Section C","1999","55","4","513","517","10.1107/S0108270198016424","","","0.71073","MoKα","","","0.054","","","0.049","","","","","1.421","1.421","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009457","15.57","0.003","16.579","0.001","11.897","0.001","90","","90","","90","","3071","0.7","295","2","","","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C13 H23 N O7 S -","- C13 H24 N O7 S0.5 -","- C104 H192 N8 O56 S4 -","8","1","HU1042","Olszak, T.A.; Grabowski, M.J.; Brzezińska, E.","Potential β-blockers. I. 2-<i>tert</i>-Butyl-1,2,3,4-tetrahydro-4,6,8-trihydroxyisoquinolinium sulfate dihydrate","Acta Crystallographica Section C","1994","50","2","283","284","10.1107/S0108270193010157","","","1.54178","CuKα","","","0.0434","","","0.042","","","","","1.08","1.08","","","","","has coordinates","208226","2020-10-21","18:00:00",""
"2016825","16.32","0.002","8.7378","0.0009","7.3854","0.0008","90","","90","","90","","1053.2","0.2","295","2","293","2","","","","","","","Synthetic","5","P n c a","-P 2a 2n","60","sodium titanosilicate hydrate","disodium titanium tetrasilicate dihydrate","Penkvilksite","- H4 Na2 O13 Si4 Ti -","- H2 Na2 O13 Si4 Ti -","- H8 Na8 O52 Si16 Ti4 -","4","0.5","FA3162","Cadoni, Marcella; Ferraris, Giovanni","Penkvilksite-2<i>O</i>: Na~2~TiSi~4~O~11~·2H~2~O","Acta Crystallographica Section C","2008","64","11","i87","i90","10.1107/S0108270108031806","","","0.71073","MoKα","","0.0868","0.0756","","","0.1568","0.161","","","","","","1.23","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2105400","6.593","","12.063","","4.343","","90","","90","","90","","345.405","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","Eu B2 O4","","- B2 Eu O4 -","- B2 Eu O4 -","- B8 Eu4 O16 -","4","0.5","","Adachi, G.Y.; Shiokawa, J.; Machida, K.","Structure of Divalent-Europium Metaborate","Acta Crystallographica B (24,1968-38,1982)","1979","35","","149","151","10.1107/S056774087900279X","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2106955","6.7317","","4.8207","","12.873","","90","","90","","90","","417.748","","","","","","","","","","","","","4","P n c a","-P 2a 2n","60","","(H2 N)2 C O (H2 O2)","","- C H6 N2 O3 -","- C H6 N2 O3 -","- C4 H24 N8 O12 -","4","0.5","","Fritchie, C.J.jr.; McMullan, R.K.","Neutron Diffraction Study of the 1:1 Urea: Hydrogen Peroxide Complex at 81 K","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1086","1091","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2218400","8.5314","0.0014","9.5295","0.0007","13.1348","0.0013","90","","90","","90","","1067.9","0.2","295","2","","","","","","","","","","4","P n c a","-P 2a 2n","60","","<i>cis</i>-9,10-Bis(bromomethyl)-1,4,5,8-tetraoxadecalin","","- C8 H12 Br2 O4 -","- C8 H12 Br2 O4 -","- C32 H48 Br8 O16 -","4","0.5","FJ2094","Yambo, Courtney L.; Williams, Patrick S.; Au, David J.; Jones, Daniel S.; Etzkorn, Markus","<i>cis</i>-9,10-Bis(bromomethyl)-1,4,5,8-tetraoxadecalin","Acta Crystallographica Section E","2008","64","6","o1172","","10.1107/S1600536808015377","","","1.54184","CuKα","","","0.0362","","","","0.1012","","","","","","1.102","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"4001182","9.683","0.00011","13.31784","0.00015","9.59151","0.00011","90","","90","","90","","1236.89","0.02","11","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.03318","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001183","9.68301","0.00011","13.31962","0.00015","9.59143","0.00011","90","","90","","90","","1237.05","0.02","50","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.03287","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001184","9.68232","0.00012","13.32028","0.00017","9.59088","0.00012","90","","90","","90","","1236.95","0.03","100","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.03348","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001185","9.68078","0.00007","13.32122","0.0001","9.58941","0.00007","90","","90","","90","","1236.65","0.016","150","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001186","9.67845","0.00008","13.32378","0.00011","9.58721","0.00008","90","","90","","90","","1236.31","0.018","200","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001187","9.67514","0.00007","13.32701","0.00009","9.58449","0.00007","90","","90","","90","","1235.83","0.015","250","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001188","9.67137","0.00007","13.32622","0.00009","9.58112","0.00007","90","","90","","90","","1234.84","0.015","300","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.04158","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001189","9.66691","0.00006","13.33095","0.00008","9.57804","0.00006","90","","90","","90","","1234.31","0.013","350","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.04486","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001190","9.66276","0.00006","13.33496","0.00008","9.57504","0.00006","90","","90","","90","","1233.77","0.013","400","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.0452","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001191","9.65894","0.00006","13.33824","0.00008","9.57242","0.00006","90","","90","","90","","1233.25","0.013","450","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.04699","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001192","9.65542","0.00005","13.34124","0.00007","9.57","0.00005","90","","90","","90","","1232.76","0.011","500","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.049","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001193","9.65196","0.00005","13.34383","0.00007","9.56777","0.00005","90","","90","","90","","1232.27","0.011","550","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.05101","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001194","9.64871","0.00005","13.34598","0.00007","9.56563","0.00005","90","","90","","90","","1231.78","0.011","600","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.05444","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001195","9.64531","0.00005","13.3478","0.00007","9.56346","0.00005","90","","90","","90","","1231.23","0.011","650","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.05713","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001196","9.64236","0.00005","13.34917","0.00007","9.56139","0.00005","90","","90","","90","","1230.72","0.011","700","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06006","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001197","9.63965","0.00005","13.35026","0.00007","9.55959","0.00005","90","","90","","90","","1230.24","0.011","750","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06199","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001198","9.63696","0.00005","13.3511","0.00007","9.55783","0.00005","90","","90","","90","","1229.75","0.011","800","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06332","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001199","9.6344","0.00005","13.35201","0.00007","9.55607","0.00005","90","","90","","90","","1229.28","0.011","850","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06626","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001200","9.63194","0.00005","13.35293","0.00007","9.55447","0.00005","90","","90","","90","","1228.84","0.011","900","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06851","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001201","9.6297","0.00005","13.35375","0.00007","9.55309","0.00005","90","","90","","90","","1228.46","0.011","950","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06829","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001202","9.62547","0.00005","13.35545","0.00008","9.55038","0.00005","90","","90","","90","","1227.72","0.012","1050","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07153","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001203","9.62355","0.00006","13.35626","0.00008","9.5491","0.00006","90","","90","","90","","1227.39","0.013","1100","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07383","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001204","9.62166","0.00006","13.35709","0.00008","9.54792","0.00006","90","","90","","90","","1227.07","0.013","1150","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07284","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001205","9.61988","0.00006","13.35768","0.00008","9.54671","0.00006","90","","90","","90","","1226.74","0.013","1200","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07653","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001206","9.61797","0.00006","13.35797","0.00008","9.54552","0.00006","90","","90","","90","","1226.38","0.013","1250","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001208","9.61588","0.00006","13.35786","0.00009","9.54392","0.00006","90","","90","","90","","1225.89","0.014","1300","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4022093","18.168","0.004","27.585","0.007","9.004","0.003","90","0","90","0","90","0","4512.6","0.000002","150","","","","","","","","","","Local laboratory","5","P n c a","-P 2a 2n","60","","","","- C22 H32 Cr O4 Si -","- C22 H27 Cr O4 Si -","- C176 H216 Cr8 O32 Si8 -","8","1","","Hajime Mori; Takafumi Matsuo; Yasunori Yoshioka; Shigeo Katsumura","Highly Activated Vinyl Hydrogen in a Significantly Twisted Styrene","Journal of Organic Chemistry","2006","71","","9004","9012","10.1021/jo061092z","","","1.5418","CuKa","","","0.062","","","0.067","","","","","6.063","6.063","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074861","18.285","0.0005","18.285","0.0005","10.402","0.0005","90","","90","","90","","3477.8","0.2","200","2","200","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C37 H55 N Ni P2 -","- C37 H52 N Ni P2 -","- C148 H208 N4 Ni4 P8 -","4","0.5","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","mokα","","0.1025","0.0609","","","0.1518","0.1931","","","","","","0.978","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4307334","12.587","0.004","34.246","0.009","6.952","0.002","90","","90","","90","","2996.7","1.5","293","2","293","2","","","","","","","","6","P n c a","-P 2a 2n","60","","","","- C8 H4 Br4 Fe0.5 O2 S4 -","- C8 H4 Br4 Fe0.5 O2 S4 -","- C64 H32 Br32 Fe4 O16 S32 -","8","1","","A. Miyazaki; H. Yamazaki; M. Aimatsu; T. Enoki; R. Watanabe; E. Ogura; Y. Kuwatani; M. Iyoda","Crystal Structure and Physical Properties of Conducting Molecular Antiferromagnets with a Halogen-Substituted Donor: (EDO-TTFBr2)2FeX4 (X = Cl, Br)","Inorganic Chemistry","2007","46","","3353","3366","10.1021/ic061871y","","","0.71069","MoKα","","0.276","0.0866","","","0.217","0.2619","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307335","12.587","0.004","34.246","0.009","6.952","0.002","90","","90","","90","","2996.7","1.5","293","2","293","2","","","","","","","","7","P n c a","-P 2a 2n","60","","","","- C8 H4 Br2 Cl2 Fe0.5 O2 S4 -","- C8 H4 Br2 Cl2 Fe0.5 O2 S4 -","- C64 H32 Br16 Cl16 Fe4 O16 S32 -","8","1","","A. Miyazaki; H. Yamazaki; M. Aimatsu; T. Enoki; R. Watanabe; E. Ogura; Y. Kuwatani; M. Iyoda","Crystal Structure and Physical Properties of Conducting Molecular Antiferromagnets with a Halogen-Substituted Donor: (EDO-TTFBr2)2FeX4 (X = Cl, Br)","Inorganic Chemistry","2007","46","","3353","3366","10.1021/ic061871y","","","0.71069","MoKα","","0.1701","0.05","","","0.1332","0.1651","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307336","12.679","0.005","35.217","0.013","6.992","0.003","90","","90","","90","","3122","2","293","2","293","2","","","","","","","","6","P n c a","-P 2a 2n","60","","","","- C8 H4 Br2 Ga0.5 O2 S4 -","- C8 Br4 Ga0.5 O2 S4 -","- C64 Br32 Ga4 O16 S32 -","8","1","","A. Miyazaki; H. Yamazaki; M. Aimatsu; T. Enoki; R. Watanabe; E. Ogura; Y. Kuwatani; M. Iyoda","Crystal Structure and Physical Properties of Conducting Molecular Antiferromagnets with a Halogen-Substituted Donor: (EDO-TTFBr2)2FeX4 (X = Cl, Br)","Inorganic Chemistry","2007","46","","3353","3366","10.1021/ic061871y","","","0.71069","MoKα","","0.1656","0.1596","","","0.3991","0.4","","","","","","2.879","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307337","12.587","0.004","34.246","0.009","6.952","0.002","90","","90","","90","","2996.7","1.5","293","2","293","2","","","","","","","","7","P n c a","-P 2a 2n","60","","","","- C8 H4 Br2 Cl2 Ga0.5 O2 S4 -","- C8 H4 Br2 Cl2 Ga0.5 O2 S4 -","- C64 H32 Br16 Cl16 Ga4 O16 S32 -","8","1","","A. Miyazaki; H. Yamazaki; M. Aimatsu; T. Enoki; R. Watanabe; E. Ogura; Y. Kuwatani; M. Iyoda","Crystal Structure and Physical Properties of Conducting Molecular Antiferromagnets with a Halogen-Substituted Donor: (EDO-TTFBr2)2FeX4 (X = Cl, Br)","Inorganic Chemistry","2007","46","","3353","3366","10.1021/ic061871y","","","0.71069","MoKα","","0.2174","0.0588","","","0.1516","0.2055","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312164","10.649","0.0001","14.827","0.0001","26.865","0.0003","90","","90","","90","","4241.79","0.07","223","1","223","1","","","","","","","","6","P n c a","-P 2a 2n","60","ana277","","","- C49 H40 O P2 Pt S2 -","- C49 H40 O P2 Pt S2 -","- C196 H160 O4 P8 Pt4 S8 -","4","0.5","","Jesús R. Berenguer; María Bernechea; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno","Alkynyldiphenylphosphine d8 (Pt, Rh, Ir) Complexes: Contrasting Behavior toward cis-[Pt(C6F5)2(THF)2]","Inorganic Chemistry","2004","43","","8185","8198","10.1021/ic048987j","","","0.71073","mokα","","0.0432","0.0253","","","0.0511","0.0574","","","","","","0.991","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4349650","12.474","0.003","15.248","0.003","16.899","0.003","90","","90","","90","","3214.2","1.2","293","2","293","2","","","","","","","","6","P n c a","-P 2a 2n","60","AEMOF-7-Cu","","","- C16 H23 Cu0.27 Mg1.73 N3 O17 -","- C16 H8 Cu0.271 Mg1.729 N3 O17 -","- C64 H32 Cu1.084 Mg6.916 N12 O68 -","4","0.5","","Papazoi, Eleutheria; Douvali, Antigoni; Rapti, Sofia; Skliri, Euaggelia; Armatas, Gerasimos S.; Papaefstathiou, Giannis S.; Wang, Xin; Huang, Zhen-Feng; Kaziannis, Spyridon; Kosmidis, Constantine; Hatzidimitriou, Antonios G.; Lazarides, Theodore; Manos, Manolis J.","A microporous Mg2+ MOF with cation exchange properties in a single-crystal-to-single-crystal fashion","Inorganic Chemistry Frontiers","2017","4","3","530","","10.1039/C6QI00548A","","","0.71073","MoKα","","0.0928","0.0699","","","0.2719","0.2867","","","","","","1.205","","","","has coordinates","234948","2020-10-21","18:00:00",""
"4513379","20.4409","0.0014","11.9176","0.0014","14.9473","0.0011","90","","90","","90","","3641.3","0.6","139","","139","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C80 H40 N24 O32 Zn8 -","8","1","","Chen, Di-Ming; Ma, Xiao-Zhou; Shi, Wei; Cheng, Peng","Solvent-Induced Topological Diversity of Two Zn(II) Metal‒Organic Frameworks and High Sensitivity in Recyclable Detection of Nitrobenzene","Crystal Growth & Design","2015","15","8","3999","","10.1021/acs.cgd.5b00614","","","0.71073","MoKα","","0.0797","0.0549","","","0.1716","0.1866","","","","","","1.042","","","","has coordinates","154568","2020-10-21","18:00:00",""
"5000113","12.35","0.01","10.521","0.007","9.39","0.008","90","","90","","90","","1220.08","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","","","- C12 H6 Cl4 -","- C24 H12 Cl8 -","- C96 H48 Cl32 -","4","0.5","","Field, L. D.; Skelton, B. W.; Sternhell, S.; White, A. H.","Structual Studies of Some 2,6(2',6')-Halogen-Substituted Biphenyl Derivatives","Australian Journal of Chemistry","1985","38","3","391","399","10.1071/CH9850391","","","","","","","","","","","","","","","","","","","","","has coordinates","175379","2020-10-21","18:00:00",""
"7012794","18.8716","0.0002","18.8716","0.0002","16.6791","0.0003","90","","90","","90","","5940.05","0.14","100","","100","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C27 H18 Fe2 N16 O -","- C27 H18 Fe2 N16 O -","- C216 H144 Fe16 N128 O8 -","8","1","","Sugiyarto, Kristian H.; McHale, Wendy-Anne; Craig, Donald C.; Rae, A. David; Scudder, Marcia L.; Goodwin, Harold A.","Spin transition centres linked by the nitroprusside ion. The cooperative transition in bis(2,6-bis(pyrazol-3-yl)pyridine)iron(ii) nitroprusside","Dalton Transactions","2003","","12","2443","","10.1039/B301218B","","","0.71073","MoKα","","","0.044","","","","0.058","","","","","","1.25","","","","has coordinates","179831","2020-10-21","18:00:00",""
"7015824","13.7789","0.0006","28.9035","0.0017","17.8248","0.0011","90","","90","","90","","7098.9","0.7","150","2","150","2","","","","","","","","6","P n c a","-P 2a 2n","60","","","","- C16 H14 Cl In N6 S2 -","- C16 H14 Cl In N6 S2 -","- C256 H224 Cl16 In16 N96 S32 -","16","2","","Arrowsmith, Rory L.; Waghorn, Philip A.; Jones, Michael W.; Bauman, Andreas; Brayshaw, Simon K.; Hu, Zhiyuan; Kociok-Köhn, Gabriele; Mindt, Thomas L.; Tyrrell, Rex M.; Botchway, Stanley W.; Dilworth, Jonathan R.; Pascu, Sofia I.","Fluorescent gallium and indium bis(thiosemicarbazonates) and their radiolabelled analogues: Synthesis, structures and cellular confocal fluorescence imaging investigations.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6238","6252","10.1039/c1dt10126a","","","0.71073","MoKα","","0.1868","0.1062","","","0.1747","0.1982","","","","","","1.147","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7051140","10.3346","0.0003","10.5105","0.0003","17.3351","0.0004","90","","90","","90","","1882.97","0.09","173","0.1","173","0.1","","","","","","","","3","P n c a","-P 2a 2n","60","","","","- C23 H22 S2 -","- C23 H22 S2 -","- C92 H88 S8 -","4","0.5","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0434","0.0374","","","0.0979","0.1026","","","","","","1.057","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7053510","15.746","0.002","16.859","0.002","19.937","0.003","90","","90","","90","","5292.5","1.2","173","2","173","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C58 H72 P2 Pt S2 -","- C58 H72 P2 Pt S2 -","- C232 H288 P8 Pt4 S8 -","4","0.5","","Nakajima, Yumiko; Nakatani, Mitsuharu; Hayashi, Kyohei; Shiraishi, Yu; Takita, Ryo; Okazaki, Masaaki; Ozawa, Fumiyuki","Synthesis and structures of platinum diphenylacetylene and dithiolate complexes bearing diphosphinidenecyclobutene ligands (DPCB-Y)","New Journal of Chemistry","2010","34","8","1713","","10.1039/c0nj00118j","","","0.7107","MoKα","","0.0287","0.0232","","","0.078","0.0848","","","","","","0.627","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7056400","9.1226","0.0007","11.7431","0.0008","29.958","0.002","90","","90","","90","","3209.3","0.4","296","2","296","2","","","","","","","","6","P n c a","-P 2a 2n","60","(complex 2)","","","- C21 H40 Cl2 Cu2 N2 O15 -","- C21 H40 Cl2 Cu2 N2 O14.9 -","- C84 H160 Cl8 Cu8 N8 O59.6 -","4","0.5","","Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis","Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism","New J. Chem.","2017","","","","","10.1039/C7NJ00425G","","","0.71073","MoKα","","0.128","0.1038","","","0.2923","0.3141","","","","","","1.109","","","","has coordinates,has disorder","198450","2020-10-21","18:00:00",""
"7061263","7.7834","0.0002","76.7442","0.0014","11.2014","0.0003","90","","90","","90","","6690.9","0.3","173","2","173","2","","","","","","","","5","P n c a","-P 2a 2n","60","","BuO-BTD","","- C26 H28 N2 O2 S -","- C26 H28 N2 O2 S -","- C312 H336 N24 O24 S12 -","12","1.5","","Miranda-Olvera, Montserrat; Arcos-Ramos, Rafael; Maldonado-Domínguez, Mauricio; Salmon, Lionel; Molnár, Gábor; Bousseksou, Azzedine; del Pilar Carreón-Castro, María","Design and synthesis of benzothiadiazole-based molecular systems: self-assembly, optical and electronic properties","New Journal of Chemistry","2022","46","11","4992","5001","10.1039/D1NJ04559H","","x-ray","1.54184","CuKα","","0.1227","0.1188","","","0.2496","0.2511","","","","","","1.212","","","","has coordinates","275039","2022-05-05","20:48:23",""
"7102248","29.135","0.008","7.461","0.002","6.1111","0.0017","90","","90","","90","","1328.4","0.6","293","2","293","2","","","","","","","","5","P n c a","-P 2a 2n","60","Manganese carboxylate","","","- C14 H10 Mn2 N0 O7 -","- C14 H10 Mn2 O7 -","- C56 H40 Mn8 O28 -","4","0.5","","Mahata, Partha; Sundaresan, A; Natarajan, Srinivasan","The role of temperature on the structure and dimensionality of MOFs: an illustrative study of the formation of manganese oxy-bis(benzoate) structures.","Chemical communications (Cambridge, England)","2007","","43","4471","4473","10.1039/b708060c","","","0.71073","MoKα","","0.0893","0.0665","","","0.1183","0.1243","","","","","","1.292","","","","has coordinates","180124","2020-10-21","18:00:00",""
"7106978","13.6968","0.0012","13.9464","0.0018","24.2111","0.0019","90","","90","","90","","4624.8","0.8","200","2","200","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C43 H56 Al2 Li2 O12 -","- C43 H48 Al2 Li2 O12 -","- C172 H192 Al8 Li8 O48 -","4","0.5","","Mayte Munoz; Carmen Urbaneja; Manuel Temprado; Marta E. G. Mosquera; Tomas Cuenca","Lewis acid fragmentation of a lithium aryloxide cage: generation of new heterometallic aluminium-lithium species","Chem.Commun.","2011","47","42","11757","11759","10.1039/c1cc14577k","","","0.71073","MoKα","","0.0957","0.0559","","","0.1262","0.1462","","","","","","1.018","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7126276","7.5033","0.0003","16.7674","0.0007","19.8262","0.0009","90","","90","","90","","2494.35","0.18","293","2","293","2","","","","","","","","4","P n c a","-P 2a 2n","60","","","","- C30 H22 Cd O6 -","- C30 H22 Cd O6 -","- C120 H88 Cd4 O24 -","4","0.5","","Yang, Yongsheng; Fang, Xiaoyu; Zhao, Si-Si; Bai, Fengyang; Zhao, Zhen; Wang, Ke-Zhi; Yan, Dongpeng","One-dimensional co-crystallized coordination polymers showing reversible mechanochromic luminescence: cation-anion interaction directed rapid self-recovery.","Chemical communications (Cambridge, England)","2020","56","39","5267","5270","10.1039/c9cc09806b","","","0.71073","MoKα","","0.098","0.0856","","","0.1843","0.1898","","","","","","1.196","","","","has coordinates,has disorder","252711","2020-10-21","18:00:00",""
"7207931","19.246","0.003","23.211","0.005","17.018","0.002","90","","90","","90","","7602","2","293","2","293","2","","","","","","","","3","P n c a","-P 2a 2n","60","","","","- C44 H44 O10 -","- C44 H44 O10 -","- C352 H352 O80 -","8","1","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.3901","0.0552","","","0.0664","0.1096","","","","","","0.652","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7231090","13.1102","0.0005","14.3955","0.0006","30.2012","0.0014","90","","90","","90","","5699.8","0.4","293","2","293","2","","","","","","","","4","P n c a","-P 2a 2n","60","","","","- C31 H25.5 N2.5 O7 -","- C31 H23 N2.5 O7 -","- C248 H184 N20 O56 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1011","0.068","","","0.1947","0.2262","","","","","","1.035","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231641","15.9746","0.0002","35.124","0.0005","16.4115","0.0002","90","","90","","90","","9208.4","0.2","293","2","293","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C41 H46 Br4.5 Cu1.5 N8 -","- C41 H46 Br4.5 Cu1.5 N8 -","- C328 H368 Br36 Cu12 N64 -","8","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.1331","0.1272","","","0.3477","0.3506","","","","","","1.107","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7234922","22.5314","0.0007","18.9885","0.0008","7.8845","0.0003","90","","90","","90","","3373.3","0.2","300","2","300.15","","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C48 H128 Br40 N16 Sb8 -","8","1","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.1203","0.0527","","","0.1171","0.1477","","","","","","1.005","","","","has coordinates","223242","2020-10-21","18:00:00",""
"9000051","5.332","","5.06","","12.02","","90","","90","","90","","324.299","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","","Pucherite","- Bi O4 V -","- Bi O4 V -","- Bi4 O16 V4 -","4","0.5","","Qurashi, M. M.; Barnes, W. H.","A preliminary structure for pucherite, BiVO4","American Mineralogist","1952","37","","423","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000054","5.332","","5.06","","12.02","","90","","90","","90","","324.299","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","","Pucherite","- Bi O4 V -","- Bi O4 V -","- Bi4 O16 V4 -","4","0.5","","Qurashi, M. M.; Barnes, W. H.","The structure of pucherite, BiVO4","American Mineralogist","1953","38","","489","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9001636","16.3721","","8.7492","","7.402","","90","","90","","90","","1060.28","","","","","","","","","","","","","6","P n c a","-P 2a 2n","60","","","Penkvilksite","- H4 Na2 O13 Si4 Ti0.9 Zr0.1 -","- H4 Na2 O13 Si4 Ti0.9 Zr0.1 -","- H16 Na8 O52 Si16 Ti3.6 Zr0.4 -","4","0.5","","Merlino, S.; Pasero, M.; Artioli, G.; Khomyakov, A. P.","Penkvilksite, a new kind of silicate structure: OD character, X-ray single-crystal (1M), and powder Rietveld (2O) refinements of two MDO polytypes Note: polytype 2O","American Mineralogist","1994","79","","1185","1193","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9009870","5.319","","5.05","","12.011","","90","","90","","90","","322.627","","","","","","","","","","","","Schneeberg, Saxony, Germany","3","P n c a","-P 2a 2n","60","","","Pucherite","- Bi O4 V -","- Bi O4 V -","- Bi4 O16 V4 -","4","0.5","","Mereiter, K.; Preisinger, A.","Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit","Anzeiger der Osterreichische Akademie der Wissenschaften","1986","123","","79","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010773","5.299","","16.133","","23.948","","90","","90","","90","","2047.29","","","","","","","","","","","","Pucher Richtschacht, Schneeberg, Saxony, Germany","6","P n c a","-P 2a 2n","60","","","Schlegelite","- As3 Bi7 Mo1.78 O24 P0.16 V0.06 -","- As3 Bi7 Mo1.78 O24 P0.16 V0.06 -","- As12 Bi28 Mo7.12 O96 P0.64 V0.24 -","4","0.5","","Krause, W.; Bernhardt, N. J.; Effenberger, H.","Schlegelite, Bi7O4(MoO4)2(AsO4)3, a new mineral from Schneeberg, Saxony, Germany","European Journal of Mineralogy","2006","18","","803","811","10.1127/0935-1221/2006/0018-0803","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9014682","5.328","","5.052","","12.003","","90","","90","","90","","323.085","","","","","","","","","","","","Schneeberg, Saxony","3","P n c a","-P 2a 2n","60","","","Pucherite","- Bi O4 V -","- Bi O4 V -","- Bi4 O16 V4 -","4","0.5","","Granzin, J.; Pohl, D.","Refinement of pucherite, BiVO4","Zeitschrift fur Kristallographie","1969","169","","289","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""