Information card for entry 7111587

Structure parameters

• Formula: C39 H54 Br4 Cl2 N4 Ni2
• Calculated formula: C39 H54 Br4 Cl2 N4 Ni2
• Title of publication: Longstanding living polymerization of ethylene: substituent effect on bridging carbon of 2-pyridinemethanamine nickel catalysts
• Authors of publication: Zai, Shaobo; Liu, Fengshou; Gao, Haiyang; Li, Cong; Zhou, Guiyu; Cheng, Shan; Guo, Lihua; Zhang, Ling; Zhu, Fangming; Wu, Qing
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 4321 - 4323
• a: 18.4583 ± 0.0017 Å
• b: 15.3616 ± 0.0014 Å
• c: 15.5084 ± 0.0014 Å
• α: 90°
• β: 92.154 ± 0.002°
• γ: 90°
• Cell volume: 4394.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0688
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No