Information card for entry 7022321

Structure parameters

• Formula: C32 H27 Br2 N2 Ni
• Calculated formula: C32 H26 Br2 N2 Ni
• SMILES: Br[Ni]1(Br)[N](c2c(C)cccc2C)=C2C(=[N]1c1c(C)cccc1C)c1cccc3c1c1c(cccc21)cc3
• 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: 11.613 ± 0.002 Å
• b: 15.244 ± 0.003 Å
• c: 18.47 ± 0.004 Å
• α: 106.33 ± 0.03°
• β: 98.48 ± 0.03°
• γ: 96.4 ± 0.03°
• Cell volume: 3063 ± 1.2 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: 0.1115
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.1903
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No