Information card for entry 4080155

Structure parameters

• Formula: C40 H44 N2
• Calculated formula: C40 H44 N2
• SMILES: c1cccc2c1C1c3c(C2/C(=N\c2c(cccc2C(C)C)C(C)C)C/1=N/c1c(cccc1C(C)C)C(C)C)cccc3
• 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: 10.5237 ± 0.0018 Å
• b: 21.689 ± 0.004 Å
• c: 15.496 ± 0.003 Å
• α: 90°
• β: 109.85 ± 0.01°
• γ: 90°
• Cell volume: 3326.8 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No