Information card for entry 4307949

Structure parameters

• Common name: [Mo2(DAniF)3]2O2
• Formula: C90 H90 Mo4 N12 O14
• Calculated formula: C90 H90 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: 14.68 ± 0.003 Å
• b: 17.221 ± 0.003 Å
• c: 17.462 ± 0.003 Å
• α: 91.619 ± 0.002°
• β: 91.094 ± 0.002°
• γ: 96.315 ± 0.002°
• Cell volume: 4384.8 ± 1.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1135
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No