Information card for entry 2002890

Structure parameters

• Formula: C24 H66 Mo12 N4 O50 P2
• Calculated formula: C24 Mo12 N4 O50 P2
• Title of publication: Multicomponent Polyanions. 53. Structure of Tetrakis(trimethylammonium) Tetra-μ-oxo-bis(triaquahexadecaoxo(trioxophenylphosphato)hexamolybdate) Dihydrate, [NH(CH~3~)~3~]~4~[{(C~6~H~5~P)Mo~6~O~21~(H~2~O)~3~}~2~].2H~2~O
• Authors of publication: Lyxell,D-G.; Bostrom,D.; Hashimoto,M.; Pettersson,L.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 424 - 430
• a: 11.211 ± 0.005 Å
• b: 12.862 ± 0.003 Å
• c: 23.05 ± 0.01 Å
• α: 90°
• β: 94.37 ± 0.03°
• γ: 90°
• Cell volume: 3314 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for all reflections: 1.189
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No