Information card for entry 4327298

Structure parameters

• Formula: C4 H108 Mo8 N12 O72 P8 S2
• Calculated formula: C4 H8 Mo8 O78.5 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: 14.439 ± 0.001 Å
• b: 16.3333 ± 0.0009 Å
• c: 16.6096 ± 0.0011 Å
• α: 82.917 ± 0.003°
• β: 88.179 ± 0.003°
• γ: 79.074 ± 0.003°
• Cell volume: 3816.6 ± 0.4 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No