Information card for entry 4079836

Structure parameters

• Formula: C12 H33 Co F3 O3 P3 S
• Calculated formula: C12 H33 Co F3 O3 P3 S
• SMILES: [Co]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)(OS(=O)(=O)C(F)(F)F)(C)C
• Title of publication: Intermolecular Methyl Group Exchange and Reversible P‒Me Bond Cleavage at Cobalt(III) Dimethyl Halide Species
• Authors of publication: Xu, Hongwei; Williard, Paul G.; Bernskoetter, Wesley H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 798
• a: 13.909 ± 0.012 Å
• b: 14.831 ± 0.012 Å
• c: 21.003 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4333 ± 6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No