Information card for entry 4316201

Structure parameters

• Formula: C30 H46.5 Ni P2
• Calculated formula: C30 H46.5 Ni P2
• SMILES: [Ni]1234([P](C(C)C)(C(C)C)c5cccc6cccc([P]1(C(C)C)C(C)C)c56)[CH]1CC[CH]2=[CH]3CC[CH]4=1
• Title of publication: Monomeric and Dimeric Disulfide Complexes of Nickel(II)
• Authors of publication: Vlad M. Iluc; Carl A. Laskowski; Carl K. Brozek; Nicole D. Harrold; Gregory L. Hillhouse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6817 - 6819
• a: 8.8016 ± 0.0011 Å
• b: 33.585 ± 0.005 Å
• c: 18.521 ± 0.003 Å
• α: 90°
• β: 94.839 ± 0.003°
• γ: 90°
• Cell volume: 5455.3 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No