Information card for entry 7105689

Structure parameters

• Formula: C26.57 H53 B F4 N2.71 Ni0.5 O0.29 P2
• Calculated formula: C26.55 H52.925 B F4 N2.725 Ni0.5 O0.275 P2
• Title of publication: Hydrogen Oxidation Catalysis by a Nickel Diphosphine Complex with Pendant t-Butyl Amines
• Authors of publication: Jenny Yang; Shentan Chen; William Dougherty; Scott Kassel; Morris Bullock; Daniel DuBois; Simone Raugei; Roger Rousseau; Michel Dupuis; Rakowski DuBois
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 8618
• a: 20.9513 ± 0.001 Å
• b: 13.9953 ± 0.0006 Å
• c: 22.0669 ± 0.001 Å
• α: 90°
• β: 101.782 ± 0.002°
• γ: 90°
• Cell volume: 6334.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No