Information card for entry 4317255

Structure parameters

• Common name: Cr(ditox)3(OtBu)
• Formula: C34 H72 Cr O4
• Calculated formula: C34 H72 Cr O4
• SMILES: [Cr](OC(C(C)(C)C)(C)C(C)(C)C)(OC(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: 18.0707 ± 0.0013 Å
• b: 37.603 ± 0.003 Å
• c: 11.3302 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7699 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No