Information card for entry 7029574

Structure parameters

• Formula: C53 H52 Br4 Cl2 N4 Ni2
• Calculated formula: C53 H52 Br4 Cl2 N4 Ni2
• SMILES: [Ni]1([N](c2c(C)cc(cc2C)C)=C2C(=[N]1c1c(cc(cc1C)C)C)c1c3c(C4C(=[N]([Ni](Br)(Br)[N]=4c4c(C)cc(cc4C)C)c4c(cc(cc4C)C)C)c4c3c2ccc4)ccc1)(Br)Br.ClCCl
• Title of publication: Synthesis, characterization and ethylene polymerization behaviour of binuclear nickel halides bearing 4,5,9,10-tetra(arylimino)pyrenylidenes.
• Authors of publication: Xing, Qifeng; Song, Kuifeng; Liang, Tongling; Liu, Qingbin; Sun, Wen-Hua; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7830 - 7837
• a: 13.286 ± 0.003 Å
• b: 14.439 ± 0.003 Å
• c: 29.687 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5695 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.3006
• Weighted residual factors for all reflections included in the refinement: 0.323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No