Information card for entry 4310547

Structure parameters

• Common name: Ni2(m-dppm)2(m-CNterBu)(CNterBu)2(PF6)2
• Chemical name: (μ~2~-terbutylisocianide)bis(terbutylisocianide) (bis(μ~2~-bis(diphenylphosphino) methane)-di-nickel bis(hexafluorophosphate)
• Formula: C66 H74 Cl2 F12 N3 Ni2 P6
• Calculated formula: C66 H74 Cl2 F12 N3 Ni2 P6
• Title of publication: Structural, Spectroscopic, and Electrochemical Studies of the Complexes [Ni2(μ-CNR)(CNR)2(μ-dppm)2]n+ (n= 0, 1, 2): Unusual Examples of Nickel(0)-Nickel(I) and Nickel(0)-Nickel(II) Mixed Valency
• Authors of publication: Gregory M. Ferrence; Eugenio Simón-Manso; Brian K. Breedlove; Leah Meeuwenberg; Clifford P. Kubiak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1071 - 1081
• a: 22.05 ± 0.01 Å
• b: 16.34 ± 0.01 Å
• c: 40.28 ± 0.03 Å
• α: 90°
• β: 102.58 ± 0.05°
• γ: 90°
• Cell volume: 14164 ± 15 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 7
• 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: 0.0812
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections: 0.1679
• Weighted residual factors for significantly intense reflections: 0.1417
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No