Information card for entry 4317250

Structure parameters

• Common name: Cr(ditox)3/Cr(ditox)3Cl
• Formula: C60 H126 Cl Cr2 O6
• Calculated formula: C60 H126 Cl Cr2 O6
• Title of publication: Pseudotetrahedral d0, d1, and d2 Metal-Oxo Cores within a Tris(alkoxide) Platform
• Authors of publication: Stanislav Groysman; Dino Villagrán; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10759 - 10761
• a: 11.7077 ± 0.0017 Å
• b: 11.7172 ± 0.0017 Å
• c: 27.118 ± 0.004 Å
• α: 82.74 ± 0.003°
• β: 82.557 ± 0.002°
• γ: 60.937 ± 0.002°
• Cell volume: 3215.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No