Information card for entry 4312408

Structure parameters

• Common name: (PyH)3(3)
• Chemical name: (C5NH6)3[{Mo8O16(O3P-C6H4-PO3)4}{Mo2O2(OH)2(HO3P-C6H4-PO3H)}].3H2O
• Formula: C45 H42 Mo10 N3 O53 P10
• Calculated formula: C45 H24 Mo10 N3 O53 P10
• Title of publication: Novel Mixed-Valence Heteropolyoxometalates: A Molybdenum Diphosphonate Anion [MoV7MoVIO16(O3PPhPO3H)4]3- and Its One- and Two-Dimensional Assemblies
• Authors of publication: Nathalie Calin; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7304 - 7308
• a: 19.0574 ± 0.0015 Å
• b: 20.4023 ± 0.0016 Å
• c: 20.6598 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8032.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No