Information card for entry 7028239

Structure parameters

• Formula: C64 H62 Cl4 N4 Ni2 O4
• Calculated formula: C64 H62 Cl4 N4 Ni2 O4
• SMILES: c12cccc[n]2[Ni]2([N](=C1C)c1c(C(c3ccccc3)c3ccccc3)ccc3c1cccc3)(Cl)(OC)[Cl][Ni]1([n]3c(cccc3)C(C)=[N]1c1c(ccc3c1cccc3)C(c1ccccc1)c1ccccc1)(OC)(Cl)[Cl]2.OC.OC
• 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: 15.786 ± 0.003 Å
• b: 10.024 ± 0.002 Å
• c: 18.193 ± 0.004 Å
• α: 90°
• β: 98.3 ± 0.03°
• γ: 90°
• Cell volume: 2848.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No