Information card for entry 4080161

Structure parameters

• Formula: C65 H54 Br8 Cl2 N4 Ni2
• Calculated formula: C65 H54 Br8 Cl2 N4 Ni2
• SMILES: [Ni]1(Br)(Br)[N](=C2C(=[N]1c1c(cc(Br)cc1C)C)C1c3ccccc3C2c2c1cccc2)c1c(cc(Br)cc1C)C.C(Cl)Cl
• Title of publication: Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene
• Authors of publication: Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 8
• Pages of publication: 2291
• a: 8.787 ± 0.004 Å
• b: 41.362 ± 0.019 Å
• c: 18.251 ± 0.008 Å
• α: 90°
• β: 103.93°
• γ: 90°
• Cell volume: 6438 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1111
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No