Information card for entry 4068026

Structure parameters

• Formula: C35 H36 N2 Ni O
• Calculated formula: C35 H36 N2 Ni O
• SMILES: [Ni]1(OC(=CC=[N]1c1c(C(C)C)cccc1C(C)C)c1c2c(cccc2)cc2c1cccc2)([n]1ccccc1)C
• 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: 10.887 ± 0.0006 Å
• b: 13.3072 ± 0.0008 Å
• c: 13.5337 ± 0.0008 Å
• α: 70.683 ± 0.001°
• β: 74.156 ± 0.001°
• γ: 71.136 ± 0.001°
• Cell volume: 1720.4 ± 0.17 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No