Information card for entry 7022320

Structure parameters

• Formula: C38 H38 N2
• Calculated formula: C38 H38 N2
• SMILES: N(=C1c2cccc3ccc4cccc(C1=Nc1c(cc(cc1CC)C)CC)c4c23)c1c(cc(cc1CC)C)CC
• Title of publication: Nickel(II) complexes bearing 4,5-bis(arylimino)pyrenylidenes: synthesis, characterization, and ethylene polymerization behaviour.
• Authors of publication: Song, Kuifeng; Yang, Wenhong; Li, Baixiang; Liu, Qingbin; Redshaw, Carl; Li, Yuesheng; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9166 - 9175
• a: 8.089 ± 0.0016 Å
• b: 18.545 ± 0.004 Å
• c: 19.786 ± 0.004 Å
• α: 79.56 ± 0.03°
• β: 86.95 ± 0.03°
• γ: 88.8 ± 0.03°
• Cell volume: 2914.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1793
• Residual factor for significantly intense reflections: 0.1339
• Weighted residual factors for significantly intense reflections: 0.3404
• Weighted residual factors for all reflections included in the refinement: 0.3873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No