Information card for entry 4105808

Structure parameters

• Formula: C32 H42.5 F3 N0.5 Ni O3 P2 S
• Calculated formula: C32 H42.5 F3 N0.5 Ni O3 P2 S
• 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: 27.7671 ± 0.0012 Å
• b: 12.6722 ± 0.0006 Å
• c: 20.3587 ± 0.0009 Å
• α: 90°
• β: 112.212 ± 0.002°
• γ: 90°
• Cell volume: 6632 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1199
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 2.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No