Information card for entry 4318347

Structure parameters

• Formula: C77.72 H119.44 Mo4 N2 O19.43 P4
• Calculated formula: C77.688 H61.44 Mo4 N2 O19.422 P4
• Title of publication: How to Make a Major Shift in a Redox Potential: Ligand Control of the Oxidation State of Dimolybdenum Units
• Authors of publication: F. Albert Cotton; Lee M. Daniels; Chun Y. Liu; Carlos A. Murillo; Arthur J. Schultz; Xiaoping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4232 - 4238
• a: 14.214 ± 0.001 Å
• b: 14.871 ± 0.001 Å
• c: 22.103 ± 0.002 Å
• α: 90°
• β: 92.879 ± 0.001°
• γ: 90°
• Cell volume: 4666.2 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections: 0.1666
• Weighted residual factors for significantly intense reflections: 0.143
• Goodness-of-fit parameter for all reflections: 1.136
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No