Information card for entry 4068029

Structure parameters

• Formula: C43 H48 N Ni O P
• Calculated formula: C43 H48 N Ni O P
• SMILES: [Ni]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(OC(=CC=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)c1ccccc1
• Title of publication: Ligand Steric and Electronic Effects on β-Ketiminato Neutral Nickel(II) Olefin Polymerization Catalysts
• Authors of publication: Song, Dong-Po; Shi, Xin-Cui; Wang, Yong-Xia; Yang, Ji-Xing; Li, Yue-Sheng
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 966
• a: 10.4168 ± 0.0007 Å
• b: 24.7978 ± 0.0018 Å
• c: 14.408 ± 0.001 Å
• α: 90°
• β: 96.62 ± 0.001°
• γ: 90°
• Cell volume: 3697 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No