Information card for entry 4064514

Structure parameters

• Formula: C54 H44 Br2 N2 Ni
• Calculated formula: C54 H44 Br2 N2 Ni
• SMILES: Br[Ni]1([N](=C2C(=[N]1c1c(cc(cc1C)C)C)c1cccc3c1c2ccc3)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)Br
• Title of publication: 2,6-Dibenzhydryl-N-(2-phenyliminoacenaphthylenylidene)-4-methylbenzenamine Nickel Dibromides: Synthesis, Characterization, and Ethylene Polymerization
• Authors of publication: Liu, Hao; Zhao, Weizhen; Hao, Xiang; Redshaw, Carl; Huang, Wei; Sun, Wen-Hua
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2418
• a: 13.993 ± 0.003 Å
• b: 17.075 ± 0.003 Å
• c: 18.979 ± 0.004 Å
• α: 90°
• β: 105.35 ± 0.03°
• γ: 90°
• Cell volume: 4372.9 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No