Information card for entry 7020220

Structure parameters

• Formula: C82 H76 Cl4 N4 Ni2 O2
• Calculated formula: C82 H76.6667 Cl4 N4 Ni2 O2
• SMILES: c1cccc2C=[N](c3c(C(c4ccccc4)c4ccccc4)cc(cc3C(c3ccccc3)c3ccccc3)C(C)C)[Ni]3([n]12)([OH2])(Cl)[Cl][Ni]1([n]2ccccc2C=[N]1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)C(c1ccccc1)c1ccccc1)([OH2])(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: 18.912 ± 0.004 Å
• b: 20.045 ± 0.004 Å
• c: 22.057 ± 0.004 Å
• α: 103.16 ± 0.03°
• β: 109.38 ± 0.03°
• γ: 111.43 ± 0.03°
• Cell volume: 6738 ± 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: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2709
• Weighted residual factors for all reflections included in the refinement: 0.2996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No