Information card for entry 1544245

Structure parameters

• Formula: C25 H40 Cl2 N4 O9 Zn2
• Calculated formula: C25 H40 Cl2 N4 O9 Zn2
• SMILES: [Zn]1234([n]5c(C)cc(C)n5C(C(C(C)(C)C)O2)n2c(C)cc(C)[n]12)[O]([Zn]([O]=C(C)O3)(OC(C)=[O]4)[OH]C(=O)C)C(=O)C.ClCCl
• Title of publication: Ring-opening copolymerisation of cyclohexene oxide and carbon dioxide catalysed by scorpionate zinc complexes
• Authors of publication: Martínez, Javier; Castro-Osma, José A.; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Tejeda, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio
• Journal of publication: Polym. Chem.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 42
• Pages of publication: 6475
• a: 20.1218 ± 0.001 Å
• b: 15.6745 ± 0.0007 Å
• c: 21.2107 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6689.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No