Information card for entry 4303876

Structure parameters

• Common name: [Mo2(DAniF)2]2(NCO)4
• Formula: C64 H60 Mo4 N12 O12
• Calculated formula: C64 H60 Mo4 N12 O12
• Title of publication: Influence of Bonding Mode of the Linkers in the Electronic Communication of Molecular Pairs Having Dimolybdenum Units Linked by Pseudohalides
• Authors of publication: F. Albert Cotton; Carlos A. Murillo; Qinliang Zhao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11755 - 11766
• a: 12.914 ± 0.003 Å
• b: 11.167 ± 0.002 Å
• c: 22.036 ± 0.005 Å
• α: 90°
• β: 91.272 ± 0.004°
• γ: 90°
• Cell volume: 3177 ± 1.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No