Information card for entry 1540588

Structure parameters

• Formula: C58 H72 Br4 N9 O10 Yb
• Calculated formula: C58 H72 Br4 N9 O10 Yb
• SMILES: [Yb]123456(Oc7c(Br)cccc7C=[N]3c3ccccc3[N]4=Cc3cccc(Br)c3O1)Oc1c(Br)cccc1C=[N]5c1ccccc1[N]6=Cc1cccc(Br)c1O2.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Copolymerization of CO2and Cyclohexene Oxide Mediated by Yb(salen)-Based Complexes
• Authors of publication: Decortes, Antonello; Haak, Robert M.; Martín, Carmen; Belmonte, Marta Martínez; Martin, Eddy; Benet-Buchholz, Jordi; Kleij, Arjan W.
• Journal of publication: Macromolecules
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 8197
• a: 16.2698 ± 0.0011 Å
• b: 15.1873 ± 0.0009 Å
• c: 25.1775 ± 0.0016 Å
• α: 90°
• β: 96.682 ± 0.002°
• γ: 90°
• Cell volume: 6179 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No