Information card for entry 4319371

Structure parameters

• Formula: C96.9 H105.8 B10 Cl5.8 Mo4 N12 O16
• Calculated formula: C96.9 H100 B10 Cl5.836 Mo4 N12 O16
• Title of publication: The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry
• Authors of publication: F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1234 - 1244
• a: 15.718 ± 0.001 Å
• b: 17.786 ± 0.001 Å
• c: 20.059 ± 0.002 Å
• α: 90°
• β: 92.76 ± 0.01°
• γ: 90°
• Cell volume: 5601.2 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.1001
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections: 0.2412
• Weighted residual factors for significantly intense reflections: 0.1904
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No