Information card for entry 4346848

Structure parameters

• Formula: C29 H40 N2 O12 Zn3
• Calculated formula: C29 H40 N2 O12 Zn3
• SMILES: [Zn]12345[O]6[Zn]789([O]1([Zn]([O]=C(O4)C)([O]=C(O7)C)OC(=O)C)c1c(cccc1C[NH]2CC(C[NH]3Cc1cccc(c16)[O]9C)(C)C)[O]8C)[O]=C(O5)C
• Title of publication: Dinuclear Zinc Salen Catalysts for the Ring Opening Copolymerization of Epoxides and Carbon Dioxide or Anhydrides.
• Authors of publication: Thevenon, Arnaud; Garden, Jennifer A.; White, Andrew J. P.; Williams, Charlotte K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 11906 - 11915
• a: 18.7381 ± 0.0011 Å
• b: 18.6958 ± 0.0006 Å
• c: 18.9958 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6654.7 ± 0.5 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 5
• 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: 0.1016
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No