Information card for entry 4322835

Structure parameters

• Formula: C56 H148 As Mo6 O70 S16
• Calculated formula: C56 H56 As Mo6 O70 S16
• Title of publication: Preparation, Structure, and Properties of the Arsenic-Containing Corner-Shared Double Cube [Mo6AsS8(H2O)18]8+: Metal-Metal Bonding and a Classification of Different Cluster Types
• Authors of publication: Rita Hernandez-Molina; Andrew J. Edwards; William Clegg; A. Geoffrey Sykes
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2989 - 2994
• a: 13.5636 ± 0.0008 Å
• b: 14.0548 ± 0.0008 Å
• c: 18.406 ± 0.001 Å
• α: 92.932 ± 0.002°
• β: 104.776 ± 0.002°
• γ: 118.038 ± 0.002°
• Cell volume: 2933.8 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No