Information card for entry 1546767

Structure parameters

• Formula: C36.5 H52.5 Cl1.5 Co N2 O2
• Calculated formula: C36.5 H52.5 Cl1.5 Co N2 O2
• SMILES: [Co]123Oc4c(cc(cc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.ClC(Cl)Cl
• Title of publication: Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes
• Authors of publication: Liu, Xu; Tian, Lei; Wu, Zhenqiang; Zhao, Xianyuan; Wang, Zikuan; Yu, Donggeng; Fu, Xuefeng
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• a: 10.1542 ± 0.001 Å
• b: 26.46 ± 0.003 Å
• c: 26.744 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7185.6 ± 1.3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No