Information card for entry 7000467

Structure parameters

• Formula: C18 H30 Br2 N2 Ni
• Calculated formula: C18 H30 Br2 N2 Ni
• SMILES: Br[Ni]1(Br)[N](C(C=[N]1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C
• Title of publication: Nickel catalysts bearing bidentate α-aminoaldimines for ethylene polymerization—independent and cooperative structure/reactivity relationship resulting from unsymmetric square planar coordination
• Authors of publication: Yang, Feng-Zhao; Chen, Yi-Chun; Lin, Ya-Fan; Yu, Kuo-Hsuan; Liu, Yi-Hung; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 7
• Pages of publication: 1243 - 1250
• a: 15.225 ± 0.003 Å
• b: 10.217 ± 0.002 Å
• c: 14.312 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2226.3 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No