Information card for entry 4312407

Structure parameters

• Common name: (PyH)4(2)
• Chemical name: (C5NH6)4[{Mo8O16(O3P-C6H4-PO3)2(O3P-C6H4-PO3H)2} {Mo2O4(OH)(HO3P-C6H4-PO3H)}].5H2O
• Formula: C50 H50 Mo10 N4 O56 P10
• Calculated formula: C50 H25 Mo10 N4 O56 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: 20.8506 ± 0.0009 Å
• b: 22.8656 ± 0.001 Å
• c: 21.1403 ± 0.0009 Å
• α: 90°
• β: 118.709 ± 0.0008°
• γ: 90°
• Cell volume: 8839.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0872
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No