Information card for entry 4327301

Structure parameters

• Formula: C4 H86 Mo8 Na12 O85 P8 S2
• Calculated formula: C4 H8 Mo8 Na12 O78 P8 S2
• Title of publication: Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate Wheels: Role of the Inorganic Template and of the Counterion
• Authors of publication: Anne Dolbecq; Laurent Lisnard; Pierre Mialane; Jérôme Marrot; Marc Bénard; Marie-Madeleine Rohmer; Francis Sécheresse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 5898 - 5910
• a: 11.6173 ± 0.0005 Å
• b: 13.3978 ± 0.0006 Å
• c: 13.6621 ± 0.0006 Å
• α: 75.507 ± 0.001°
• β: 72.349 ± 0.001°
• γ: 85.182 ± 0.001°
• Cell volume: 1961.79 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No