Information card for entry 4080154

Structure parameters

• Formula: C32 H28 N2
• Calculated formula: C32 H28 N2
• SMILES: c1cccc2c1C1c3c(C2C(=N\c2c(cccc2C)C)/C/1=N\c1c(cccc1C)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: 9.584 ± 0.0009 Å
• b: 11.3082 ± 0.0011 Å
• c: 12.4037 ± 0.0012 Å
• α: 91.135 ± 0.001°
• β: 94.768 ± 0.001°
• γ: 110.576 ± 0.001°
• Cell volume: 1252.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No