Information card for entry 4331664

Structure parameters

• Formula: C20 H28 Mo2 O10 S6
• Calculated formula: C20 H26 Mo2 O10 S6
• Title of publication: Rearrangement of Molybdocene Tetraoxotetrasulfide Cp2MoS4O4to Give [(Cp2MoS2H)2](HSO4)2: A Novel Proton-Stabilized Molybdocene Disulfide Dimer
• Authors of publication: Rys, Andrzej Z.; Lebuis, Anne-Marie; Shaver, Alan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 341 - 344
• a: 6.751 ± 0.002 Å
• b: 9.865 ± 0.004 Å
• c: 11.549 ± 0.005 Å
• α: 109.95 ± 0.03°
• β: 96.11 ± 0.03°
• γ: 108.22 ± 0.03°
• Cell volume: 666.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: Cukα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No