Information card for entry 4071190

Structure parameters

• Chemical name: [N-(2,6-diisopropylphenyl)-2-(2,6-diisopropylphenylimino)-4- methylpentanamidato-k2N,O](n1-CH2Ph)(PMe3)nickel
• Formula: C40 H59 N2 Ni O P
• Calculated formula: C40 H59 N2 Ni O P
• SMILES: C\1(=N\c2c(cccc2C(C)C)C(C)C)C(CC(C)C)=[N](c2c(cccc2C(C)C)C(C)C)[Ni](Cc2ccccc2)(O1)[P](C)(C)C
• Title of publication: Influence of Steric and Electronic Perturbations on the Polymerization Activities of α-Iminocarboxamide Nickel Complexes
• Authors of publication: Azoulay, Jason D.; Itigaki, Koji; Wu, Guang; Bazan, Guillermo C.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2273
• a: 10.2237 ± 0.0016 Å
• b: 21.053 ± 0.003 Å
• c: 18.063 ± 0.003 Å
• α: 90°
• β: 96.135 ± 0.003°
• γ: 90°
• Cell volume: 3865.6 ± 1 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.134
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No