Information card for entry 7023495

Structure parameters

• Formula: C31 H37 Cl4 Co N3
• Calculated formula: C31 H37 Cl4 Co N3
• SMILES: [Co]12(Cl)(Cl)[n]3c(cccc3C(Cl)=[N]2c2c(cccc2C(C)C)C(C)C)C(Cl)=[N]1c1c(cccc1C(C)C)C(C)C
• 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: 8.8292 ± 0.0005 Å
• b: 9.7126 ± 0.0005 Å
• c: 21.0607 ± 0.0012 Å
• α: 82.752 ± 0.001°
• β: 87.625 ± 0.001°
• γ: 65.734 ± 0.001°
• Cell volume: 1633.22 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No