Information card for entry 7028238

Structure parameters

• Formula: C86 H68 Br2 N4 Ni O0
• Calculated formula: C86 H68 Br2 N4 Ni
• SMILES: Br[Ni]12([n]3ccccc3C(=[N]1c1c(cc(c3ccccc13)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)C)[n]1ccccc1C(=[N]2c1c(cc(c2ccccc12)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)C.[Br-]
• Title of publication: 2-(1-(2-Benzhydrylnaphthylimino)ethyl)pyridylnickel halides: synthesis, characterization, and ethylene polymerization behavior.
• Authors of publication: Yue, Erlin; Zhang, Liping; Xing, Qifeng; Cao, Xiao-Ping; Hao, Xiang; Redshaw, Carl; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 423 - 431
• a: 11.391 ± 0.002 Å
• b: 18.201 ± 0.004 Å
• c: 18.612 ± 0.004 Å
• α: 91.61 ± 0.03°
• β: 104.33 ± 0.03°
• γ: 95.61 ± 0.03°
• Cell volume: 3715.3 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.2529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No