Information card for entry 7703771

Structure parameters

• Formula: C40 H34 Br2 N2 Ni O
• Calculated formula: C40 H34 Br2 N2 Ni O
• SMILES: Br[Ni]1(Br)[n]2c(C(=[N]1c1c(cc(OC)cc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)C)cccc2
• Title of publication: Systematic studies on dibenzhydryl and pentiptycenyl substituted pyridine-imine nickel(ii) mediated ethylene polymerization.
• Authors of publication: Wang, Chaoqun; Zhang, Yuxing; Mu, Hongliang; Jian, Zhongbao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 15
• Pages of publication: 4824 - 4833
• a: 10.7994 ± 0.0007 Å
• b: 20.1287 ± 0.0014 Å
• c: 16.4169 ± 0.0011 Å
• α: 90°
• β: 105.258 ± 0.001°
• γ: 90°
• Cell volume: 3442.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No