Information card for entry 7115687

Structure parameters

• Common name: (PPMeP)Ni(CO2)
• Formula: C26 H39 Ni O2 P3
• Calculated formula: C26 H39 Ni O2 P3
• SMILES: [Ni]123([O]=[C]3=O)[P](c3c([P]1(C(C)C)C(C)C)cccc3)(c1c([P]2(C(C)C)C(C)C)cccc1)C
• Title of publication: Formation of a nickel carbon dioxide adduct and its transformation mediated by a Lewis acid
• Authors of publication: Yeong-Eun Kim; Jin Kim; Yunho Lee
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11458
• a: 11.4995 ± 0.0007 Å
• b: 14.7887 ± 0.0009 Å
• c: 16.1942 ± 0.0009 Å
• α: 90°
• β: 98.174 ± 0.003°
• γ: 90°
• Cell volume: 2726.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No