Information card for entry 4307948

Structure parameters

• Common name: [Mo2(DAniF)3]2(OH?)2,0.18CH2Cl2
• Formula: C90.18 H90.36 Cl0.36 Mo4 N12 O14
• Calculated formula: C90.184 H90.368 Cl0.368 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: 14.702 ± 0.003 Å
• b: 17.244 ± 0.004 Å
• c: 17.449 ± 0.004 Å
• α: 91.797 ± 0.003°
• β: 90.969 ± 0.003°
• γ: 95.943 ± 0.003°
• Cell volume: 4396.8 ± 1.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1007
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No