Information card for entry 4317252

Structure parameters

• Common name: Cr(OR)3O
• Formula: C30 H63 Cr O4
• Calculated formula: C30 H63 Cr O4
• SMILES: [Cr](=O)(OC(C(C)(C)C)(C)C(C)(C)C)(OC(C)(C(C)(C)C)C(C)(C)C)OC(C(C)(C)C)(C)C(C)(C)C
• 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: 33.803 ± 0.004 Å
• b: 8.2879 ± 0.001 Å
• c: 23.24 ± 0.003 Å
• α: 90°
• β: 101.702 ± 0.002°
• γ: 90°
• Cell volume: 6375.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No