Information card for entry 7023498

Structure parameters

• Formula: C24 H21 Cl8 Co N3
• Calculated formula: C24 H21 Cl8 Co N3
• SMILES: [Co]12(Cl)(Cl)[N](=C(Cl)c3[n]1c(ccc3)C(Cl)=[N]2c1c(cc(Cl)cc1C)C)c1c(cc(Cl)cc1C)C.C(Cl)Cl
• Title of publication: Synthesis of bis(N-arylcarboximidoylchloride)pyridine cobalt(II) complexes and their catalytic behavior for 1,3-butadiene polymerization.
• Authors of publication: Liu, Heng; Jia, Xiangyu; Wang, Feng; Dai, Quanquan; Wang, Baolin; Bi, Jifu; Zhang, Chunyu; Zhao, Liping; Bai, Chenxi; Hu, Yanming; Zhang, Xuequan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13723 - 13732
• a: 8.1076 ± 0.0007 Å
• b: 22.716 ± 0.0018 Å
• c: 16.3196 ± 0.0013 Å
• α: 90°
• β: 101.821 ± 0.001°
• γ: 90°
• Cell volume: 2941.9 ± 0.4 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 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: 0.0926
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No