Information card for entry 7019118

Structure parameters

• Formula: C20 H30 Br2 N4 Ni
• Calculated formula: C20 H30 Br2 N4 Ni
• SMILES: [Ni]12(Br)([n]3ccccc3C[NH]1C(C)(C)C)[n]1ccccc1C[NH]2C(C)(C)C.[Br-]
• Title of publication: Synthesis, structures of (aminopyridine)nickel complexes and their use for catalytic ethylene polymerization.
• Authors of publication: Lin, Ya-Chi; Yu, Kuo-Hsuan; Lin, Ya-Fan; Lee, Gene-Hsiang; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6661 - 6670
• a: 11.1769 ± 0.0002 Å
• b: 15.9132 ± 0.0002 Å
• c: 13.9105 ± 0.0003 Å
• α: 90°
• β: 95.1397 ± 0.0007°
• γ: 90°
• Cell volume: 2464.18 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No