Information card for entry 7028483

Structure parameters

• Formula: C48 H54 Co N4 O2
• Calculated formula: C48 H54 Co N4 O2
• SMILES: [Co]1234([n]5c6c([N]1=Cc1c(O4)c(cc(c1)C(C)(C)C)C(C)(C)C)cccc6ccc5)[n]1cccc4cccc([N]2=Cc2c(O3)c(cc(c2)C(C)(C)C)C(C)(C)C)c14
• Title of publication: The enhanced catalytic performance of cobalt catalysts towards butadiene polymerization by introducing a labile donor in a salen ligand.
• Authors of publication: Gong, Dirong; Wang, Baolin; Jia, Xiaoyu; Zhang, Xuequan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 4169 - 4178
• a: 15.7846 ± 0.0009 Å
• b: 16.9833 ± 0.001 Å
• c: 19.7804 ± 0.0011 Å
• α: 90°
• β: 112.268 ± 0.001°
• γ: 90°
• Cell volume: 4907.2 ± 0.5 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 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: 0.0802
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No