Information card for entry 7019126

Structure parameters

• Formula: C11 H18 Br2 N2 Ni
• Calculated formula: C11 H18 Br2 N2 Ni
• SMILES: [Ni]1(Br)(Br)[n]2ccccc2CC[NH]1C(C)(C)C
• 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: 13.9446 ± 0.0005 Å
• b: 8.1918 ± 0.0003 Å
• c: 13.5562 ± 0.0004 Å
• α: 90°
• β: 108.273 ± 0.0007°
• γ: 90°
• Cell volume: 1470.46 ± 0.09 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: 0.0609
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No