Information card for entry 7111586

Structure parameters

• Formula: C28 H38 Br2 Cl2 N2 Ni O
• Calculated formula: C28 H38 Br2 Cl2 N2 Ni O
• SMILES: [Ni]1(Br)(Br)([n]2ccccc2C([NH]1c1c(C(C)C)cccc1C(C)C)c1c(C)cc(C)cc1C)[OH2].C(Cl)Cl
• 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: 13.4346 ± 0.0013 Å
• b: 13.4926 ± 0.0013 Å
• c: 17.6159 ± 0.0017 Å
• α: 90°
• β: 105.588 ± 0.002°
• γ: 90°
• Cell volume: 3075.7 ± 0.5 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: 0.068
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No