Information card for entry 4079835

Structure parameters

• Formula: C11 H33 Cl Co P3
• Calculated formula: C11 H33 Cl Co P3
• SMILES: C[P](C)(C)[Co](C)(C)(Cl)([P](C)(C)C)[P](C)(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: 8.9411 ± 0.001 Å
• b: 15.5862 ± 0.0012 Å
• c: 13.5476 ± 0.0011 Å
• α: 90°
• β: 91.563 ± 0.003°
• γ: 90°
• Cell volume: 1887.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1056
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No