Information card for entry 4505632

Structure parameters

• Formula: C27 H35 Br2 Cl4 N2 Ni O
• Calculated formula: C27 H33 Br2 Cl4 N2 Ni O
• Title of publication: Substituent Effects of Pyridine-amine Nickel Catalyst Precursors on Ethylene Polymerization
• Authors of publication: Zai, Shaobo; Gao, Haiyang; Huang, Zengfang; Hu, Haibin; Wu, Han; Wu, Qing
• Journal of publication: ACS Catalysis
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 433
• a: 18.146 ± 0.003 Å
• b: 12.048 ± 0.002 Å
• c: 18.386 ± 0.003 Å
• α: 90°
• β: 119.14 ± 0.003°
• γ: 90°
• Cell volume: 3510.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No