Information card for entry 4317249

Structure parameters

• Common name: V(OR)3THF
• Formula: C34 H71 O4 V
• Calculated formula: C34 H71 O4 V
• SMILES: [V]([O]1CCCC1)(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: 10.901 ± 0.002 Å
• b: 11.5504 ± 0.0016 Å
• c: 15.686 ± 0.002 Å
• α: 98.796 ± 0.002°
• β: 95.313 ± 0.002°
• γ: 113.907 ± 0.002°
• Cell volume: 1758 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No