Information card for entry 1515398

Structure parameters

• Formula: C24 H30 Cl2 N2 O9 S Zn
• Calculated formula: C24 H30 Cl2 N2 O9 S Zn
• SMILES: [Zn]123(OC(=C(C=[N]2c2cc(Cl)c(Cl)cc2[N]3=CC(=C(O1)OCC)C(=O)OCC)C(=O)OCC)OCC)[O]=S(C)C
• Title of publication: New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling
• Authors of publication: Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 1658
• a: 13.3344 ± 0.0008 Å
• b: 9.1475 ± 0.0006 Å
• c: 24.1887 ± 0.0015 Å
• α: 90°
• β: 103.983 ± 0.001°
• γ: 90°
• Cell volume: 2863 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0302
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No