Information card for entry 4106561

Structure parameters

• Common name: [Ni(PCy2NPh2)(ACN)2](BF4)2*ACN
• Chemical name: [Ni(PCy2NPh2)2(ACN)2](BF4)2*ACN
• Formula: C34 H49 B2 F8 N5 Ni P2
• Calculated formula: C34 H49 B2 F8 N5 Ni P2
• Title of publication: Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes
• Authors of publication: Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12767 - 12779
• a: 9.481 ± 0.003 Å
• b: 12.34 ± 0.004 Å
• c: 17.657 ± 0.005 Å
• α: 101.202 ± 0.004°
• β: 102.372 ± 0.004°
• γ: 102.077 ± 0.004°
• Cell volume: 1910.3 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No