Information card for entry 7020219

Structure parameters

• Formula: C80 H70 Cl4 N4 Ni2 O2
• Calculated formula: C80 H70 Cl4 N4 Ni2 O2
• SMILES: c1cccc2C=[N](c3c(cc(cc3C(c3ccccc3)c3ccccc3)C(c3ccccc3)c3ccccc3)C)[Ni]3([n]12)([OH]C)(Cl)[Cl][Ni]1([n]2ccccc2C=[N]1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)C)([OH]C)(Cl)[Cl]3
• Title of publication: Ethylene polymerization by 2-iminopyridylnickel halide complexes: synthesis, characterization and catalytic influence of the benzhydryl group.
• Authors of publication: Sun, Wen-Hua; Song, Shengju; Li, Baixiang; Redshaw, Carl; Hao, Xiang; Li, Yue-Sheng; Wang, Fosong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 11999 - 12010
• a: 18.888 ± 0.004 Å
• b: 10.107 ± 0.002 Å
• c: 20.625 ± 0.004 Å
• α: 90°
• β: 97.49 ± 0.03°
• γ: 90°
• Cell volume: 3903.7 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No