Information card for entry 1545301

Structure parameters

• Formula: C48 H52 Cl4 Co2 N8 O P2
• Calculated formula: C48 H51 Cl4 Co2 N8 O P2
• SMILES: [Co]1234([P](c5ccccc5)([N]c5[n]2c(n2[n]3c(cc2C)C)ccc5)c2ccccc2)[P](Nc2[n]4c(n3[n]1c(cc3C)C)ccc2)(c1ccccc1)c1ccccc1.[Co](Cl)(Cl)([Cl-])[Cl-].C(OCC)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: 15.231 ± 0.002 Å
• b: 15.231 Å
• c: 20.271 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4702.5 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.057
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No