Information card for entry 4307954

Structure parameters

• Common name: [Mo2(DAniF)3]2(OH)(O),BF4
• Formula: C90 H91 B F4 Mo4 N12 O14
• Calculated formula: C90 H91 B F4 Mo4 N12 O14
• Title of publication: Crystal-to-Crystal Oxidative Deprotonation of a Di(μ-hydroxo) to a Di(μ-oxo) Dimer of Dimolybdenum Units
• Authors of publication: F. Albert Cotton; Zhong Li; Carlos A. Murillo; Xiaoping Wang; Rongmin Yu; Qinliang Zhao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3245 - 3250
• a: 24.683 ± 0.003 Å
• b: 14.1381 ± 0.0018 Å
• c: 26.693 ± 0.003 Å
• α: 90°
• β: 109.503 ± 0.002°
• γ: 90°
• Cell volume: 8780.6 ± 1.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No