Information card for entry 7022322

Structure parameters

• Formula: C34 H30 Br2 N2 Ni
• Calculated formula: C34 H30 Br2 N2 Ni
• SMILES: Br[Ni]1([N](=C2C(=[N]1c1c(cc(cc1C)C)C)c1c3c4c2cccc4ccc3ccc1)c1c(cc(cc1C)C)C)Br
• 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: 14.873 ± 0.003 Å
• b: 16.51 ± 0.003 Å
• c: 16.616 ± 0.003 Å
• α: 99.21 ± 0.03°
• β: 101.46 ± 0.03°
• γ: 113.54 ± 0.03°
• Cell volume: 3533.5 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.2617
• Weighted residual factors for all reflections included in the refinement: 0.2991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No