Information card for entry 4105809

Structure parameters

• Formula: C62 H53 B F24 Ni P2
• Calculated formula: C62 H53 B F24 Ni P2
• Title of publication: Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel-Arene H-Migration and Partial Arene Hydrogenation
• Authors of publication: Sibo Lin; Michael W. Day; Theodor Agapie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3828 - 3831
• a: 18.8883 ± 0.0008 Å
• b: 18.2168 ± 0.0008 Å
• c: 19.5092 ± 0.0008 Å
• α: 90°
• β: 116.405 ± 0.002°
• γ: 90°
• Cell volume: 6012.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0911
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No