Information card for entry 1545298

Structure parameters

• Formula: C20 H17 Cl2 Co N4 O P
• Calculated formula: C20 H17 Cl2 Co N4 O P
• SMILES: [Co]12(Cl)(Cl)[O]=P(Nc3[n]2c(n2[n]1ccc2)ccc3)(c1ccccc1)c1ccccc1
• Title of publication: Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control
• Authors of publication: Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 1805
• a: 9.8667 ± 0.0009 Å
• b: 12.317 ± 0.0011 Å
• c: 17.626 ± 0.0015 Å
• α: 90°
• β: 100.785 ± 0.001°
• γ: 90°
• Cell volume: 2104.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0312
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No