Information card for entry 1556295

Structure parameters

• Formula: C56 H48 Br2 N2 Ni
• Calculated formula: C56 H48 Br2 N2 Ni
• SMILES: [Ni]1([N](c2c(cc(cc2C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)C)=C2C(=[N]1c1c(cc(cc1CC)C)CC)c1cccc3c1c2ccc3)(Br)Br
• 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: 15.352 ± 0.003 Å
• b: 22.551 ± 0.005 Å
• c: 15.38 ± 0.003 Å
• α: 90°
• β: 106.96 ± 0.03°
• γ: 90°
• Cell volume: 5093 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0937
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No