Information card for entry 7029023

Structure parameters

• Formula: C110 H84 Cl2 N4 Ni
• Calculated formula: C110 H84 Cl2 N4 Ni
• SMILES: c1cccc2[n]1[Ni]1(Cl)([n]3ccccc3C=[N]1c1c(cc(c3c1cc(cc3)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)([N](=C2)c1c(cc(c2c1cc(cc2)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)Cl
• Title of publication: Synthesis and characterization of 2-(2-benzhydrylnaphthyliminomethyl)pyridylnickel halides: formation of branched polyethylene.
• Authors of publication: Yue, Erlin; Xing, Qifeng; Zhang, Liping; Shi, Qisong; Cao, Xiao-Ping; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3339 - 3346
• a: 17.393 ± 0.004 Å
• b: 15.219 ± 0.003 Å
• c: 18.207 ± 0.004 Å
• α: 90°
• β: 95.81 ± 0.03°
• γ: 90°
• Cell volume: 4794.7 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2164
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7029022
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No