Information card for entry 7028797

Structure parameters

• Formula: C20 H22 N4 O5 S Zn
• Calculated formula: C20 H22 N4 O5 S Zn
• SMILES: [Zn]123(OC(=C(C=[N]2c2ccccc2[N]3=CC(=C(O1)OCC)C#N)C#N)OCC)[O]=S(C)C
• Title of publication: A new air-stable zinc complex based on a 1,2-phenylene-diimino-2-cyanoacrylate ligand as an efficient catalyst of the epoxide-CO2 coupling.
• Authors of publication: Fuchs, M. A.; Staudt, S.; Altesleben, C.; Walter, O.; Zevaco, T. A.; Dinjus, E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2344 - 2347
• a: 10.5413 ± 0.0006 Å
• b: 19.7935 ± 0.001 Å
• c: 11.4038 ± 0.0006 Å
• α: 90°
• β: 116.647 ± 0.001°
• γ: 90°
• Cell volume: 2126.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No