Information card for entry 7019121

Structure parameters

• Formula: C10 H16 Br2 N2 Ni
• Calculated formula: C10 H16 Br2 N2 Ni
• SMILES: [Ni]1(Br)(Br)[n]2ccccc2C[N]1(CC)CC
• 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: 13.4202 ± 0.0002 Å
• b: 7.5579 ± 0.0001 Å
• c: 13.7783 ± 0.0002 Å
• α: 90°
• β: 101.645 ± 0.0007°
• γ: 90°
• Cell volume: 1368.75 ± 0.03 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0499
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No