Information card for entry 7000468

Structure parameters

• Formula: C14 H22 Br2 N2 Ni
• Calculated formula: C14 H22 Br2 N2 Ni
• SMILES: [Ni]1(Br)(Br)[N](=CC([N]1(CC)CC)(C)C)c1ccccc1
• 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: 7.3858 ± 0.0003 Å
• b: 14.1749 ± 0.0004 Å
• c: 16.5775 ± 0.0006 Å
• α: 90°
• β: 95.737 ± 0.001°
• γ: 90°
• Cell volume: 1726.85 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No