Information card for entry 4349453

Structure parameters

• Common name: (PNP)Ni(CO)
• Formula: C27 H40 N Ni O P2
• Calculated formula: C27 H40 N Ni O P2
• SMILES: [Ni]12([P](c3cc(ccc3N2c2c([P]1(C(C)C)C(C)C)cc(cc2)C)C)(C(C)C)C(C)C)C#[O]
• Title of publication: Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species
• Authors of publication: Yoo, Changho; Lee, Yunho
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 849
• a: 15.7516 ± 0.0015 Å
• b: 9.8103 ± 0.0009 Å
• c: 18.1748 ± 0.0017 Å
• α: 90°
• β: 95.239 ± 0.003°
• γ: 90°
• Cell volume: 2796.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.331
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No