Information card for entry 1556296

Structure parameters

• Formula: C54 H44 Cl2 N2 Ni O0
• Calculated formula: C54 H44 Cl2 N2 Ni
• SMILES: [Ni]1(Cl)(Cl)[N](=C2C(=[N]1c1c(cc(cc1C)C)C)c1c3c2cccc3ccc1)c1c(C(c2ccccc2)c2ccccc2)cc(cc1C)C(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, characterization and ethylenepolymerization behavior of nickel dihalide complexes bearing bulky unsymmetrical α-diimine ligands
• Authors of publication: Liu, Hao; Zhao, Weizhen; Yu, Jiangang; Yang, Wenhong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 415
• a: 15.33 ± 0.003 Å
• b: 22.285 ± 0.005 Å
• c: 14.954 ± 0.003 Å
• α: 90°
• β: 106.33 ± 0.03°
• γ: 90°
• Cell volume: 4902.6 ± 1.9 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: 0.1619
• Residual factor for significantly intense reflections: 0.1173
• Weighted residual factors for significantly intense reflections: 0.278
• Weighted residual factors for all reflections included in the refinement: 0.3059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No