Information card for entry 4317254

Structure parameters

• Common name: Cr(ditox)3(OSnBu3)
• Formula: C42 H90 Cr O4 Sn
• Calculated formula: C42 H90 Cr O4 Sn
• SMILES: [Sn](O[Cr](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)(CCCC)(CCCC)CCCC
• 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: 19.66 ± 0.002 Å
• b: 11.218 ± 0.0013 Å
• c: 21.884 ± 0.003 Å
• α: 90°
• β: 108.632 ± 0.002°
• γ: 90°
• Cell volume: 4573.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0737
• 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