Information card for entry 4069885

Structure parameters

• Formula: C51 H48 N Ni O P
• Calculated formula: C51 H48 N Ni O P
• SMILES: [Ni]1(OC(=CC=[N]1c1c(cccc1C(C)C)C(C)C)c1ccccc1c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Highly Active Neutral Nickel(II) Catalysts for Ethylene Polymerization Bearing Modified β-Ketoiminato Ligands
• Authors of publication: Song, Dong-Po; Ye, Wei-Ping; Wang, Yong-Xia; Liu, Jing-Yao; Li, Yue-Sheng
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5697
• a: 12.683 ± 0.0009 Å
• b: 13.5102 ± 0.001 Å
• c: 13.5145 ± 0.001 Å
• α: 91.207 ± 0.001°
• β: 113.292 ± 0.001°
• γ: 102.101 ± 0.001°
• Cell volume: 2065.7 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No