Information card for entry 4122622

Structure parameters

• Common name: 2_[(CyPBP)CoH]2[PF6]
• Formula: C276 H470 B8 Co8 F24 N16 O5 P20
• Calculated formula: C276 H470 B8 Co8 F24 N16 O5 P20
• Title of publication: Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.
• Authors of publication: Lin, Tzu-Pin; Peters, Jonas C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 39
• Pages of publication: 13672 - 13683
• a: 13.5896 ± 0.0008 Å
• b: 23.6347 ± 0.0014 Å
• c: 24.0614 ± 0.0015 Å
• α: 81.261 ± 0.001°
• β: 80.57 ± 0.002°
• γ: 75.633 ± 0.002°
• Cell volume: 7335.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No