Information card for entry 4310548

Structure parameters

• Common name: Ni2(m-dppm)2(m-CN-Xylyl)(m-CN-Xylyl)2
• Chemical name: (μ~2~-Xylylisocianide)bis(Xylylisocianide) (bis(μ~2~-bis(diphenylphosphino) methane)-di-nickel
• Formula: C77 H71 N3 Ni2 P4
• Calculated formula: C77 H71 N3 Ni2 P4
• SMILES: C1[P](c2ccccc2)(c2ccccc2)[Ni]23(C#[N]c4c(C)cccc4C)C(=Nc4c(C)cccc4C)[Ni]3(C#[N]c3c(C)cccc3C)([P](C[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P]1(c1ccccc1)c1ccccc1
• 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: 21.4008 ± 0.0016 Å
• b: 12.91 ± 0.001 Å
• c: 23.69 ± 0.0018 Å
• α: 90°
• β: 106.695 ± 0.001°
• γ: 90°
• Cell volume: 6269.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No