Information card for entry 8103146

Structure parameters

• Formula: C20 H29 Mo12 N8 O41 P
• Calculated formula: C20 H29 Mo12 N8 O41 P
• Title of publication: Crystal structure of tris(4-aminopyridinium)phosphato-polyoxo-dodecamolybdate — 4-aminopyridine — water (1:1:1), [C5H7N2]3[PMo12O40] · C5H6N2 · H2O
• Authors of publication: Xiang-Jiang Wu; Shu-Zi Lü; Qing Cai; Chuan-Lei Zhang; Tie-Jun Cai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 389
• a: 11.7094 ± 0.0004 Å
• b: 25.7946 ± 0.0009 Å
• c: 16.6748 ± 0.0006 Å
• α: 90°
• β: 97.205 ± 0.001°
• γ: 90°
• Cell volume: 4996.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No