Information card for entry 4317256

Structure parameters

• Common name: Cr(ditox)3(OSiMe3)
• Formula: C36 H81 Cr O5 Si
• Calculated formula: C35 H77 Cr O4.5 Si
• 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: 19.15 ± 0.002 Å
• b: 36.173 ± 0.004 Å
• c: 11.3317 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7849.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No