Information card for entry 4116636

Structure parameters

• Common name: [Ni(dmpp)~2~(CH~3~CN)](BF~4~)~2~
• Formula: C16 H39 B2 F8 N Ni P4
• Calculated formula: C16 H38.747 B2 F8 N Ni P4
• Title of publication: Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)
• Authors of publication: Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 11432 - 11447
• a: 10.7503 ± 0.0012 Å
• b: 14.2268 ± 0.0019 Å
• c: 17.8531 ± 0.0015 Å
• α: 93.236 ± 0.006°
• β: 92.155 ± 0.006°
• γ: 92.39 ± 0.005°
• Cell volume: 2721.6 ± 0.5 ų
• Cell temperature: 169 ± 2 K
• Ambient diffraction temperature: 169 ± 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: 0.0899
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No