Information card for entry 4080157

Structure parameters

• Formula: C32 H26 Br2 N2
• Calculated formula: C32 H26 Br2 N2
• SMILES: Brc1cc(c(/N=C\2C3c4ccccc4C(c4c3cccc4)/C2=N\c2c(cc(Br)cc2C)C)c(c1)C)C
• 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: 16.846 ± 0.002 Å
• b: 13.7766 ± 0.0018 Å
• c: 22.911 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5317.2 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No