Information card for entry 1540589

Structure parameters

• Formula: C40 H47 N2 O5 Yb
• Calculated formula: C40 H47 N2 O5 Yb
• SMILES: [Yb]1234(Oc5c(cccc5C=[N]1c1ccccc1[N]3=Cc1cccc(c1O2)C(C)(C)C)C(C)(C)C)(Oc1c(cccc1C=[O]4)C(C)(C)C)[OH]C
• 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: 13.3478 ± 0.0004 Å
• b: 15.5479 ± 0.0004 Å
• c: 17.2278 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3575.29 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0265
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No