Information card for entry 4317454

Structure parameters

• Formula: C70 H77 Cr2 N12 O0.5
• Calculated formula: C70 H74 Cr2 N12 O0.5
• Title of publication: The First Oxidation of a Cr24+ Paddlewheel Complex to an Isostructural Stable Product
• Authors of publication: F. Albert Cotton; Lee M. Daniels; Penglin Huang; Carlos A. Murillo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 317 - 320
• a: 26.944 ± 0.003 Å
• b: 21.305 ± 0.003 Å
• c: 23.537 ± 0.003 Å
• α: 90°
• β: 112.545 ± 0.003°
• γ: 90°
• Cell volume: 12479 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.109
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections: 0.1584
• Weighted residual factors for significantly intense reflections: 0.1366
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No