Information card for entry 4071191

Structure parameters

• Chemical name: [N-(2,6-diisopropylphenyl)-2-(2,6-diisopropylphenylimino)-3- methylbutanamidato-k2N,O](n1-CH2Ph)(PMe3)nickel.
• Formula: C39 H57 N2 Ni O P
• Calculated formula: C39 H57 N2 Ni O P
• SMILES: C1(C(C(C)C)=[N]([Ni](Cc2ccccc2)(O1)[P](C)(C)C)c1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)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: 9.716 ± 0.003 Å
• b: 20.04 ± 0.007 Å
• c: 19.496 ± 0.006 Å
• α: 90°
• β: 100.578 ± 0.005°
• γ: 90°
• Cell volume: 3732 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No