Information card for entry 4318251

Structure parameters

• Formula: C14 H28 N4 Ni2 P4
• Calculated formula: C14 H30 N4 Ni2 P4
• SMILES: C(#N)[Ni]1([P](C)(C)C[P](C)(C)[Ni](C#N)(C#N)[P](C[P]1(C)C)(C)C)C#N
• Title of publication: Metal-Metal Interactions in Dinuclear d8 Metal Cyanide Complexes Supported by Phosphine Ligands. Spectroscopic Properties and ab Initio Calculations of [M2(μ-diphosphine)2(CN)4] and trans-[M(phosphine)2(CN)2] (M = Pt, Ni)
• Authors of publication: Bao-Hui Xia; Chi-Ming Che; David Lee Phillips; King-Hung Leung; Kung-Kai Cheung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3866 - 3875
• a: 9.1603 ± 0.0011 Å
• b: 11.4717 ± 0.0014 Å
• c: 10.2381 ± 0.0013 Å
• α: 90°
• β: 90.427 ± 0.002°
• γ: 90°
• Cell volume: 1075.8 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.725
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No