Crystallography Open Database

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Searching space group like 'P n c a'

COD ID: 1010437
CIF file Formula: - B2 Ca O4 -
Comments: Zachariasen, W H The Crystal Lattice of Calcium Metaborate, Ca B~2~ O~4~ Proceedings of the National Academy of Sciences, U.S.A. 17 (1931) 617-619
Space group: P n c a
Cell volume: 307.3
Cell parameters: 6.19; 11.6; 4.28; 90; 90; 90;  

COD ID: 1010468
CIF file Formula: - B2 Ca O4 -
Comments: 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) 83 (1932) 354-361
Space group: P n c a
Cell volume: 307.3
Cell parameters: 6.19; 11.6; 4.28; 90; 90; 90;  

COD ID: 1010915
CIF file Formula: - Fe Nb2 O6 -
Comments: Sturdivant, J H The Crystal Structure of Columbite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 75 (1930) 88-108
Space group: P n c a
Cell volume: 414.6
Cell parameters: 5.082; 14.238; 5.73; 90; 90; 90;  

COD ID: 1522201
CIF file Formula: - Al2 O12 W3 -
Comments: Woodcock, D.A.; Ritter, C.; Lightfoot, P. Negative thermal expansion in Y2 (W O4)3 Journal of Solid State Chemistry 149 (2000) 92-98
Space group: P n c a
Cell volume: 1041.8
Cell parameters: 9.1364; 12.5913; 9.056; 90; 90; 90;  

COD ID: 1522204
CIF file Formula: - O12 W3 Y2 -
Comments: Woodcock, D.A.; Lightfoot, P.; Ritter, C. Negative thermal expansion in Y2 (W O4)3 Journal of Solid State Chemistry 149 (2000) 92-98
Space group: P n c a
Cell volume: 1400.65
Cell parameters: 10.07; 13.937; 9.98; 90; 90; 90;  

COD ID: 1528400
CIF file Formula: - Mo O12 P2 Zr2 -
Comments: 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 182 (2009) 1304-1311
Space group: P n c a
Cell volume: 1054.54
Cell parameters: 9.33504; 12.3243; 9.16613; 90; 90; 90;  

COD ID: 1529926
CIF file Formula: - C6 Fe K3 N6 -
Comments: 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 31 (1978) 1195-1199
Space group: P n c a
Cell volume: 1169.78
Cell parameters: 13.422; 10.399; 8.381; 90; 90; 90;  

COD ID: 1530052
CIF file Formula: - Na2 O9 Si2 Ti2 -
Comments: 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 186 (1969) 820-823
Space group: P n c a
Cell volume: 662.123
Cell parameters: 14.518; 8.976; 5.081; 90; 90; 90;  

COD ID: 1533054
CIF file Formula: - In2 O12 W3 -
Comments: 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 177 (2004) 2740-2748
Space group: P n c a
Cell volume: 1249.62
Cell parameters: 9.7126; 13.3824; 9.6141; 90; 90; 90;  

COD ID: 1541935
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 45 (1966) 2745-2752
Space group: P n c a
Cell volume: 1216.72
Cell parameters: 9.596; 13.33; 9.512; 90; 90; 90;  

COD ID: 1562658
CIF file Formula: - C16 H16 Cu2 O12 -
Comments: 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 201 (2013) 133-136
Space group: P n c a
Cell volume: 994.12
Cell parameters: 6.296; 6.8703; 22.9826; 90; 90; 90;  

COD ID: 1563542
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 183(7) (2010) 1567-1573
Space group: P n c a
Cell volume: 1234.88
Cell parameters: 9.6733; 13.3236; 9.5814; 90; 90; 90;  

COD ID: 2001271
CIF file

Original IUCr paper

 Formula: - C7 H13 Br2 N5 O4 Pt -
Comments: 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 49(10) (1993) 1703-1706
Space group: P n c a
Cell volume: 2900
Cell parameters: 15.214; 19.077; 9.991; 90; 90; 90;  

COD ID: 2008393
CIF file

Original IUCr paper

 Formula: - C24 H20 Cu N2 O6 S2 -
Comments: Nakasa, Kazuyuki; Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru Copper(II) 2-thiopheneglyoxylate adducts with pyridine derivatives Acta Crystallographica Section C 55(4) (1999) 513-517
Space group: P n c a
Cell volume: 2464.3
Cell parameters: 11.894; 18.092; 11.452; 90; 90; 90;  

COD ID: 2009457
CIF file

Original IUCr paper

 Formula: - C13 H23 N O7 S -
Comments: 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 50(2) (1994) 283-284
Space group: P n c a
Cell volume: 3071
Cell parameters: 15.57; 16.579; 11.897; 90; 90; 90;  

COD ID: 2016825
CIF file

HKL data

Original IUCr paper

 Formula: - H4 Na2 O13 Si4 Ti -
Comments: Cadoni, Marcella; Ferraris, Giovanni Penkvilksite-2<i>O</i>: Na~2~TiSi~4~O~11~·2H~2~O Acta Crystallographica Section C 64(11) (2008) i87-i90
Space group: P n c a
Cell volume: 1053.2
Cell parameters: 16.32; 8.7378; 7.3854; 90; 90; 90;  

COD ID: 2105400
CIF file Formula: - B2 Eu O4 -
Comments: Adachi, G.Y.; Shiokawa, J.; Machida, K. Structure of Divalent-Europium Metaborate Acta Crystallographica B (24,1968-38,1982) 35 (1979) 149-151
Space group: P n c a
Cell volume: 345.405
Cell parameters: 6.593; 12.063; 4.343; 90; 90; 90;  

COD ID: 2106955
CIF file Formula: - C H6 N2 O3 -
Comments: 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) 37 (1981) 1086-1091
Space group: P n c a
Cell volume: 417.748
Cell parameters: 6.7317; 4.8207; 12.873; 90; 90; 90;  

COD ID: 2218400
CIF file

HKL data

Original IUCr paper

 Formula: - C8 H12 Br2 O4 -
Comments: 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 64(6) (2008) o1172
Space group: P n c a
Cell volume: 1067.9
Cell parameters: 8.5314; 9.5295; 13.1348; 90; 90; 90;  

COD ID: 4001182
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1236.89
Cell parameters: 9.683; 13.31784; 9.59151; 90; 90; 90;  

COD ID: 4001183
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1237.05
Cell parameters: 9.68301; 13.31962; 9.59143; 90; 90; 90;  

COD ID: 4001184
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1236.95
Cell parameters: 9.68232; 13.32028; 9.59088; 90; 90; 90;  

COD ID: 4001185
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1236.65
Cell parameters: 9.68078; 13.32122; 9.58941; 90; 90; 90;  

COD ID: 4001186
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1236.31
Cell parameters: 9.67845; 13.32378; 9.58721; 90; 90; 90;  

COD ID: 4001187
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1235.83
Cell parameters: 9.67514; 13.32701; 9.58449; 90; 90; 90;  

COD ID: 4001188
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1234.84
Cell parameters: 9.67137; 13.32622; 9.58112; 90; 90; 90;  

COD ID: 4001189
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1234.31
Cell parameters: 9.66691; 13.33095; 9.57804; 90; 90; 90;  

COD ID: 4001190
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1233.77
Cell parameters: 9.66276; 13.33496; 9.57504; 90; 90; 90;  

COD ID: 4001191
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1233.25
Cell parameters: 9.65894; 13.33824; 9.57242; 90; 90; 90;  

COD ID: 4001192
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1232.76
Cell parameters: 9.65542; 13.34124; 9.57; 90; 90; 90;  

COD ID: 4001193
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1232.27
Cell parameters: 9.65196; 13.34383; 9.56777; 90; 90; 90;  

COD ID: 4001194
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1231.78
Cell parameters: 9.64871; 13.34598; 9.56563; 90; 90; 90;  

COD ID: 4001195
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1231.23
Cell parameters: 9.64531; 13.3478; 9.56346; 90; 90; 90;  

COD ID: 4001196
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1230.72
Cell parameters: 9.64236; 13.34917; 9.56139; 90; 90; 90;  

COD ID: 4001197
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1230.24
Cell parameters: 9.63965; 13.35026; 9.55959; 90; 90; 90;  

COD ID: 4001198
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1229.75
Cell parameters: 9.63696; 13.3511; 9.55783; 90; 90; 90;  

COD ID: 4001199
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1229.28
Cell parameters: 9.6344; 13.35201; 9.55607; 90; 90; 90;  

COD ID: 4001200
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1228.84
Cell parameters: 9.63194; 13.35293; 9.55447; 90; 90; 90;  

COD ID: 4001201
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1228.46
Cell parameters: 9.6297; 13.35375; 9.55309; 90; 90; 90;  

COD ID: 4001202
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1227.72
Cell parameters: 9.62547; 13.35545; 9.55038; 90; 90; 90;  

COD ID: 4001203
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1227.39
Cell parameters: 9.62355; 13.35626; 9.5491; 90; 90; 90;  

COD ID: 4001204
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1227.07
Cell parameters: 9.62166; 13.35709; 9.54792; 90; 90; 90;  

COD ID: 4001205
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1226.74
Cell parameters: 9.61988; 13.35768; 9.54671; 90; 90; 90;  

COD ID: 4001206
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1226.38
Cell parameters: 9.61797; 13.35797; 9.54552; 90; 90; 90;  

COD ID: 4001208
CIF file Formula: - O12 Sc2 W3 -
Comments: 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 20(20) (2008) 6335
Space group: P n c a
Cell volume: 1225.89
Cell parameters: 9.61588; 13.35786; 9.54392; 90; 90; 90;  

COD ID: 4022093
CIF file Formula: - C22 H32 Cr O4 Si -
Comments: Hajime Mori; Takafumi Matsuo; Yasunori Yoshioka; Shigeo Katsumura Highly Activated Vinyl Hydrogen in a Significantly Twisted Styrene Journal of Organic Chemistry 71 (2006) 9004-9012
Space group: P n c a
Cell volume: 4512.6
Cell parameters: 18.168; 27.585; 9.004; 90; 90; 90;  

COD ID: 4074861
CIF file Formula: - C37 H55 N Ni P2 -
Comments: 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 25(6) (2006) 1399-1411
Space group: P n c a
Cell volume: 3477.8
Cell parameters: 18.285; 18.285; 10.402; 90; 90; 90;  

COD ID: 4307334
CIF file Formula: - C8 H4 Br4 Fe0.5 O2 S4 -
Comments: 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 46 (2007) 3353-3366
Space group: P n c a
Cell volume: 2996.7
Cell parameters: 12.587; 34.246; 6.952; 90; 90; 90;  

COD ID: 4307335
CIF file Formula: - C8 H4 Br2 Cl2 Fe0.5 O2 S4 -
Comments: 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 46 (2007) 3353-3366
Space group: P n c a
Cell volume: 2996.7
Cell parameters: 12.587; 34.246; 6.952; 90; 90; 90;  

COD ID: 4307336
CIF file Formula: - C8 H4 Br2 Ga0.5 O2 S4 -
Comments: 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 46 (2007) 3353-3366
Space group: P n c a
Cell volume: 3122
Cell parameters: 12.679; 35.217; 6.992; 90; 90; 90;  

COD ID: 4307337
CIF file Formula: - C8 H4 Br2 Cl2 Ga0.5 O2 S4 -
Comments: 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 46 (2007) 3353-3366
Space group: P n c a
Cell volume: 2996.7
Cell parameters: 12.587; 34.246; 6.952; 90; 90; 90;  

COD ID: 4312164
CIF file Formula: - C49 H40 O P2 Pt S2 -
Comments: 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 43 (2004) 8185-8198
Space group: P n c a
Cell volume: 4241.79
Cell parameters: 10.649; 14.827; 26.865; 90; 90; 90;  

COD ID: 4349650
CIF file Formula: - C16 H23 Cu0.27 Mg1.73 N3 O17 -
Comments: 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 4(3) (2017) 530
Space group: P n c a
Cell volume: 3214.2
Cell parameters: 12.474; 15.248; 16.899; 90; 90; 90;  

COD ID: 4513379
CIF file Formula: - C10 H5 N3 O4 Zn -
Comments: 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 15(8) (2015) 3999
Space group: P n c a
Cell volume: 3641.3
Cell parameters: 20.4409; 11.9176; 14.9473; 90; 90; 90;  

COD ID: 5000113
CIF file Formula: - C12 H6 Cl4 -
Comments: 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 38(3) (1985) 391-399
Space group: P n c a
Cell volume: 1220.08
Cell parameters: 12.35; 10.521; 9.39; 90; 90; 90;  

COD ID: 7012794
CIF file Formula: - C27 H18 Fe2 N16 O -
Comments: 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 (issue 12) (2003) 2443
Space group: P n c a
Cell volume: 5940.05
Cell parameters: 18.8716; 18.8716; 16.6791; 90; 90; 90;  

COD ID: 7015824
CIF file Formula: - C16 H14 Cl In N6 S2 -
Comments: 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) 40(23) (2011) 6238-6252
Space group: P n c a
Cell volume: 7098.9
Cell parameters: 13.7789; 28.9035; 17.8248; 90; 90; 90;  

COD ID: 7051140
CIF file Formula: - C23 H22 S2 -
Comments: 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 25(7) (2001) 905
Space group: P n c a
Cell volume: 1882.97
Cell parameters: 10.3346; 10.5105; 17.3351; 90; 90; 90;  

COD ID: 7053510
CIF file Formula: - C58 H72 P2 Pt S2 -
Comments: 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 34(8) (2010) 1713
Space group: P n c a
Cell volume: 5292.5
Cell parameters: 15.746; 16.859; 19.937; 90; 90; 90;  

COD ID: 7056400
CIF file Formula: - C21 H40 Cl2 Cu2 N2 O15 -
Comments: 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. 41(16) (2017) 8586-8597
Space group: P n c a
Cell volume: 3209.3
Cell parameters: 9.1226; 11.7431; 29.958; 90; 90; 90;  

COD ID: 7061263
CIF file Formula: - C26 H28 N2 O2 S -
Comments: 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 46(11) (2022) 4992-5001
Space group: P n c a
Cell volume: 6690.9
Cell parameters: 7.7834; 76.7442; 11.2014; 90; 90; 90;  

COD ID: 7102248
CIF file Formula: - C14 H10 Mn2 N0 O7 -
Comments: 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) (issue 43) (2007) 4471-4473
Space group: P n c a
Cell volume: 1328.4
Cell parameters: 29.135; 7.461; 6.1111; 90; 90; 90;  

COD ID: 7106978
CIF file Formula: - C43 H56 Al2 Li2 O12 -
Comments: 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. 47(42) (2011) 11757-11759
Space group: P n c a
Cell volume: 4624.8
Cell parameters: 13.6968; 13.9464; 24.2111; 90; 90; 90;  

COD ID: 7126276
CIF file Formula: - C30 H22 Cd O6 -
Comments: 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) 56(39) (2020) 5267-5270
Space group: P n c a
Cell volume: 2494.35
Cell parameters: 7.5033; 16.7674; 19.8262; 90; 90; 90;  

COD ID: 7207931
CIF file Formula: - C44 H44 O10 -
Comments: 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 22(19) (2012) 9611
Space group: P n c a
Cell volume: 7602
Cell parameters: 19.246; 23.211; 17.018; 90; 90; 90;  

COD ID: 7231090
CIF file Formula: - C31 H25.5 N2.5 O7 -
Comments: 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 20(31) (2018) 4463
Space group: P n c a
Cell volume: 5699.8
Cell parameters: 13.1102; 14.3955; 30.2012; 90; 90; 90;  

COD ID: 7231641
CIF file Formula: - C41 H46 Br4.5 Cu1.5 N8 -
Comments: 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 20(44) (2018) 7184
Space group: P n c a
Cell volume: 9208.4
Cell parameters: 15.9746; 35.124; 16.4115; 90; 90; 90;  

COD ID: 7234922
CIF file Formula: - C6 H16 Br5 N2 Sb -
Comments: 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 21(24) (2019) 3740
Space group: P n c a
Cell volume: 3373.3
Cell parameters: 22.5314; 18.9885; 7.8845; 90; 90; 90;  

COD ID: 9000051
CIF file Formula: - Bi O4 V -
Comments: Qurashi, M. M.; Barnes, W. H. A preliminary structure for pucherite, BiVO4 American Mineralogist 37 (1952) 423-426
Space group: P n c a
Cell volume: 324.299
Cell parameters: 5.332; 5.06; 12.02; 90; 90; 90;  

COD ID: 9000054
CIF file Formula: - Bi O4 V -
Comments: Qurashi, M. M.; Barnes, W. H. The structure of pucherite, BiVO4 American Mineralogist 38 (1953) 489-500
Space group: P n c a
Cell volume: 324.299
Cell parameters: 5.332; 5.06; 12.02; 90; 90; 90;  

COD ID: 9001636
CIF file Formula: - H4 Na2 O13 Si4 Ti0.9 Zr0.1 -
Comments: 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 79 (1994) 1185-1193
Space group: P n c a
Cell volume: 1060.28
Cell parameters: 16.3721; 8.7492; 7.402; 90; 90; 90;  

COD ID: 9009870
CIF file Formula: - Bi O4 V -
Comments: Mereiter, K.; Preisinger, A. Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit Anzeiger der Osterreichische Akademie der Wissenschaften 123 (1986) 79-81
Space group: P n c a
Cell volume: 322.627
Cell parameters: 5.319; 5.05; 12.011; 90; 90; 90;  

COD ID: 9010773
CIF file Formula: - As3 Bi7 Mo1.78 O24 P0.16 V0.06 -
Comments: Krause, W.; Bernhardt, N. J.; Effenberger, H. Schlegelite, Bi7O4(MoO4)2(AsO4)3, a new mineral from Schneeberg, Saxony, Germany European Journal of Mineralogy 18 (2006) 803-811
Space group: P n c a
Cell volume: 2047.29
Cell parameters: 5.299; 16.133; 23.948; 90; 90; 90;  

COD ID: 9014682
CIF file Formula: - Bi O4 V -
Comments: Granzin, J.; Pohl, D. Refinement of pucherite, BiVO4 Zeitschrift fur Kristallographie 169 (1969) 289-294
Space group: P n c a
Cell volume: 323.085
Cell parameters: 5.328; 5.052; 12.003; 90; 90; 90;  


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