Information card for entry 4122601

Structure parameters

• Formula: C43 H58 Co P2 Si2
• Calculated formula: C43 H58 Co P2 Si2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2c(cccc2)[P](c2ccccc2)(c2ccccc2)[Co]1(C[Si](C)(C)C)C[Si](C)(C)C.CCCCC
• Title of publication: Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.
• Authors of publication: Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 38
• Pages of publication: 13178 - 13181
• a: 20.3936 ± 0.0005 Å
• b: 11.7894 ± 0.0003 Å
• c: 19.1693 ± 0.0005 Å
• α: 90°
• β: 116.206 ± 0.002°
• γ: 90°
• Cell volume: 4135.1 ± 0.2 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: 0.0517
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No