Information card for entry 4116631

Structure parameters

• Common name: [(dmpe)~2~Ni^II^][PF~6~]~2~^.^CH~3~NO~2~
• Formula: C13 H35 F12 N Ni O2 P6
• Calculated formula: C13 H35 F12.06 N Ni O2 P6
• 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: 17.7374 ± 0.0002 Å
• b: 9.064 Å
• c: 17.9013 ± 0.0002 Å
• α: 90°
• β: 96.187 ± 0.001°
• γ: 90°
• Cell volume: 2861.26 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No