Information card for entry 1518782

Structure parameters

• Chemical name: (salen)Co-CO2CH3
• Formula: C38 H55 Co N2 O4
• Calculated formula: C38 H55 Co N2 O4
• SMILES: [Co]123(Oc4c(C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2cc(cc(C(C)(C)C)c2O1)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C)C(=O)OC.[Co]123(Oc4c(C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2cc(cc(C(C)(C)C)c2O1)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C)C(=O)OC
• Title of publication: A well-defined, versatile photoinitiator (salen)Co‒CO2CH3for visible light-initiated living/controlled radical polymerization
• Authors of publication: Zhao, Yaguang; Yu, Mengmeng; Zhang, Shuailin; Wu, Zhenqiang; Liu, Yuchu; Peng, Chi-How; Fu, Xuefeng
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 2979
• a: 17.569 ± 0.004 Å
• b: 10.302 ± 0.002 Å
• c: 19.781 ± 0.004 Å
• α: 90°
• β: 100.629 ± 0.002°
• γ: 90°
• Cell volume: 3518.8 ± 1.3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.073
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No