Information card for entry 4317406

Structure parameters

• Common name: Cs5PMo8032H6
• Formula: Cs5 H6 Mo8 O32 P
• Calculated formula: Cs5 H6 Mo8 O32 P
• SMILES: P12(=[O]3[Mo]45([OH]67[Mo]8([O]1[Mo]7(O4)(O8)(=O)=O)(O[Mo]36(O5)(=O)=O)(=O)=O)(=O)=O)[O]1[Mo]34(O[Mo]56([OH]73[Mo]([O]26)(O5)(O[Mo]17(O4)(=O)=O)(=O)=O)(=O)=O)(=O)=O.[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].O.O
• Title of publication: Synthesis and Characterization of Cs5P[Mo4O14(OH)]2.2H2O: A New Molybdophosphate Cluster with Face-Sharing MoO6Octahedra
• Authors of publication: Eddy Dumas; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 144 - 146
• a: 8.8151 ± 0.0006 Å
• b: 23.1028 ± 0.0016 Å
• c: 16.0683 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3272.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No