Information card for entry 1559693

Structure parameters

• Formula: C41 H42 Br2 N2 Ni
• Calculated formula: C41 H42 Br2 N2 Ni
• SMILES: [Ni]1(Br)(Br)[N](=C(C(=[N]1CCCC)C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1
• Title of publication: 8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems
• Authors of publication: Li, Shuaikang; Dai, Shengyu
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 45
• Pages of publication: 7199 - 7206
• a: 9.3405 ± 0.0008 Å
• b: 10.8596 ± 0.0009 Å
• c: 18.9774 ± 0.0017 Å
• α: 75.724 ± 0.001°
• β: 82.338 ± 0.002°
• γ: 86.529 ± 0.003°
• Cell volume: 1848.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No