Information card for entry 1557630

Structure parameters

• Common name: Trihydrogen Dodecamolybdophosphate-Benzene(1/3)
• Formula: C18 H21 Mo12 O40 P
• Calculated formula: C18 Mo12 O40 P
• Title of publication: Multicomponent Polyanions. 48. The Crystal Structure of Trihydrogen Dodecamolybdophosphate-Benzene(1/3)
• Authors of publication: Lyxell, Dan-Goran; Bostrom, Dan; Hashimoto, Masato; Petterson, Lage
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1996
• Journal volume: 50
• Pages of publication: 985 - 990
• a: 12.189 ± 0.002 Å
• b: 13.981 ± 0.002 Å
• c: 12.978 ± 0.001 Å
• α: 90°
• β: 98.59 ± 0.01°
• γ: 90°
• Cell volume: 2186.8 ± 0.5 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No