Information card for entry 4115027

Structure parameters

• Common name: [(dippe)Ni]2(h2,h2-1,4-dicyanobenzene)
• Formula: C36 H68 N2 Ni2 P4
• Calculated formula: C36 H68 N2 Ni2 P4
• SMILES: C1(=N[Ni]21[P](C(C)C)(C(C)C)CC[P]2(C(C)C)C(C)C)c1ccc(C2=N[Ni]32[P](C(C)C)(C(C)C)CC[P]3(C(C)C)C(C)C)cc1
• Title of publication: Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)
• Authors of publication: Juventino J. Garcia; Nicole M. Brunkan; William D. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9547 - 9555
• a: 10.5304 ± 0.0006 Å
• b: 15.1549 ± 0.0009 Å
• c: 12.8816 ± 0.0007 Å
• α: 90°
• β: 91.304 ± 0.001°
• γ: 90°
• Cell volume: 2055.2 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No