Information card for entry 4072810

Structure parameters

• Formula: C49 H46 N Ni O2 P
• Calculated formula: C49 H46 N Ni O2 P
• SMILES: [Ni]1([N](c2c(cccc2C(C)C)C(C)C)=Cc2c(O1)c(ccc2)c1c(O)cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Syntheses and Ethylene Polymerization Behavior of Supported Salicylaldimine-Based Neutral Nickel(II) Catalysts
• Authors of publication: Hu, Tao; Li, Yan-Guo; Liu, Jing-Yu; Li, Yue-Sheng
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2609
• a: 18.0911 ± 0.0009 Å
• b: 11.561 ± 0.0006 Å
• c: 18.9745 ± 0.001 Å
• α: 90°
• β: 98.248 ± 0.001°
• γ: 90°
• Cell volume: 3927.5 ± 0.4 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No