Information card for entry 1545300

Structure parameters

• Formula: C44 H42 Cl4 Co2 N8 P2 S2
• Calculated formula: C44 H42 Cl4 Co2 N8 P2 S2
• SMILES: [Co]12(Cl)([Cl][Co]3(Cl)([Cl]1)[n]1n(c4[n]3c(NP(=S)(c3ccccc3)c3ccccc3)ccc4)c(cc1C)C)[n]1n(c3[n]2c(NP(=S)(c2ccccc2)c2ccccc2)ccc3)c(cc1C)C
• 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: 9.465 ± 0.001 Å
• b: 15.709 ± 0.0016 Å
• c: 16.2919 ± 0.0016 Å
• α: 90°
• β: 106.147 ± 0.002°
• γ: 90°
• Cell volume: 2326.8 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.072
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No