Information card for entry 7115688

Structure parameters

• Common name: (PPMeP)Ni{COOB(C6F5)3}
• Formula: C65 H63 B F15 Ni O2 P3
• Calculated formula: C65 H63 B F15 Ni O2 P3
• SMILES: [Ni]12([P](C)(c3ccccc3[P]1(C(C)C)C(C)C)c1ccccc1[P]2(C(C)C)C(C)C)C(=O)O[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1ccccc1C.c1ccccc1C.c1ccccc1C
• 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: 13.7796 ± 0.0008 Å
• b: 15.3191 ± 0.0009 Å
• c: 15.8751 ± 0.0009 Å
• α: 97.002 ± 0.003°
• β: 95.9 ± 0.003°
• γ: 111.372 ± 0.003°
• Cell volume: 3057.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No