Information card for entry 7000471

Structure parameters

• Formula: C20 H32 Br2 N2 Ni
• Calculated formula: C20 H32 Br2 N2 Ni
• SMILES: Br[Ni]1(Br)[N](=CC([N]21CCCC2)(C)C)c1c(cccc1C(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: 8.669 ± 0.0001 Å
• b: 14.177 ± 0.0002 Å
• c: 19.086 ± 0.0003 Å
• α: 90°
• β: 101.917 ± 0.001°
• γ: 90°
• Cell volume: 2295.12 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No