Information card for entry 2006659

Structure parameters

• Formula: C12 H50 Ga2 N8 O20 P4
• Calculated formula: C12 H42 Ga2 N8 O20 P4
• SMILES: C(C[NH3+])N(CC[NH3+])CC[NH3+].O1[Ga](O)(OP(=O)([O-])[O-])OP(=O)([O-])O[Ga](OP(=O)([O-])[O-])(OP1(=O)[O-])O.O.C(C[NH3+])N(CC[NH3+])CC[NH3+].O
• Title of publication: A New Gallium Phosphate Templated by Tris(2-aminoethyl)amine: [Ga(HPO~4~)(PO~4~)(OH)].[(C~2~H~7~ N)~3~N].H~2~O
• Authors of publication: Serpaggi, Fabien; Loiseau, Thierry; Férey, Gérard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1568 - 1570
• a: 9.4881 ± 0.001 Å
• b: 10.3231 ± 0.0011 Å
• c: 16.3226 ± 0.0011 Å
• α: 90°
• β: 90.423 ± 0.006°
• γ: 90°
• Cell volume: 1598.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.133
• Weighted residual factors for significantly intense reflections: 0.12
• Goodness-of-fit parameter for all reflections: 0.955
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No