Information card for entry 7029573

Structure parameters

• Formula: C48 H46 N4
• Calculated formula: C48 H46 N4
• SMILES: N(c1c(cccc1C)C)c1c(Nc2c(cccc2C)C)c2c3c4c(c(Nc5c(cccc5C)C)c(Nc5c(C)cccc5C)c3ccc2)cccc14
• 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: 28.504 ± 0.006 Å
• b: 10.357 ± 0.002 Å
• c: 12.46 ± 0.003 Å
• α: 90°
• β: 90.05 ± 0.03°
• γ: 90°
• Cell volume: 3678.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No