Information card for entry 7019123

Structure parameters

• Formula: C30 H36 Br4 N4 Ni2
• Calculated formula: C30 H36 Br4 N4 Ni2
• SMILES: c1[n]2c(ccc1)[C@H](C)[NH]([Ni]12([Br][Ni]2([n]3ccccc3[C@@H](C)[NH]2c2c(cccc2C)C)([Br]1)Br)Br)c1c(C)cccc1C
• 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: 11.7867 ± 0.0004 Å
• b: 10.3876 ± 0.0004 Å
• c: 14.1012 ± 0.0005 Å
• α: 90°
• β: 108.057 ± 0.0008°
• γ: 90°
• Cell volume: 1641.45 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No