Information card for entry 4071189

Structure parameters

• Chemical name: N-(2,6-diisopropylphenyl)-2-(2,6-diisopropylphenylimino)butanamidato-k2N,O] (n1-CH2Ph)(PMe3)nickel
• Formula: C38 H55 N2 Ni O P
• Calculated formula: C38 H55 N2 Ni O P
• SMILES: C\1(=N\c2c(cccc2C(C)C)C(C)C)C(CC)=[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: 10.1616 ± 0.0014 Å
• b: 36.813 ± 0.005 Å
• c: 20.361 ± 0.003 Å
• α: 90°
• β: 92.918 ± 0.002°
• γ: 90°
• Cell volume: 7606.7 ± 1.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No