Information card for entry 4113693

Structure parameters

• Formula: C49 H50 F12 N2 O2 Zn2
• Calculated formula: C49 H50 F12 N2 O2 Zn2
• SMILES: [Zn]12([O]3[Zn]([O]1C(c1ccc(C(F)(F)F)cc1)(c1ccc(cc1)C(F)(F)F)[C@H]1[NH]2CCC1)([NH]1[C@@H](CCC1)C3(c1ccc(cc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1)CC)CC.c1c(cccc1)C
• Title of publication: Asymmetric Alternating Copolymerization of Cyclohexene Oxide and CO2 with Dimeric Zinc Complexes
• Authors of publication: Koji Nakano; Kyoko Nozaki; Tamejiro Hiyama
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 5501 - 5510
• a: 14.5089 ± 0.0016 Å
• b: 14.6962 ± 0.0016 Å
• c: 22.214 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4736.6 ± 1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.1398
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.632
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No