Information card for entry 4113692

Structure parameters

• Formula: C38 H46 N2 O2 Zn2
• Calculated formula: C38 H46 N2 O2 Zn2
• SMILES: [Zn]12([O]3[Zn]([O]1C(c1ccccc1)(c1ccccc1)[C@H]1[NH]2CCC1)([NH]1[C@@H](CCC1)C3(c1ccccc1)c1ccccc1)CC)CC
• 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: 9.3266 ± 0.0005 Å
• b: 15.8144 ± 0.0008 Å
• c: 11.1575 ± 0.0006 Å
• α: 90°
• β: 90.195 ± 0.001°
• γ: 90°
• Cell volume: 1645.66 ± 0.15 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No