Information card for entry 4122602

Structure parameters

• Formula: C34 H36 Co P2
• Calculated formula: C34 H36 Co P2
• SMILES: C1C[P](c2ccccc2)(c2ccccc2)[Co]234([CH]5CC[CH]2=[CH]3CC[CH]4=5)[P]1(c1ccccc1)c1ccccc1
• 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: 9.9345 ± 0.001 Å
• b: 9.0704 ± 0.0009 Å
• c: 18.5496 ± 0.0018 Å
• α: 90°
• β: 95.247 ± 0.002°
• γ: 90°
• Cell volume: 1664.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No