Information card for entry 2219494

Structure parameters

• Chemical name: Bis{2-ethoxy-6-[2-(ethylammonio)ethyliminomethyl]phenolato}thiocyanatozinc(II) nitrate
• Formula: C27 H40 N6 O7 S Zn
• Calculated formula: C27 H40 N6 O7 S Zn
• SMILES: [Zn]12(Oc3c(cccc3OCC)C=[N]1CC[NH2+]CC)(Oc1c(cccc1OCC)C=[N]2CC[NH2+]CC)N=C=S.O=N(=O)[O-]
• Title of publication: Bis{2-ethoxy-6-[2-(ethylammonio)ethyliminomethyl]phenolato}thiocyanatozinc(II) nitrate
• Authors of publication: Guo, Hui-Rui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1288 - m1289
• a: 12.619 ± 0.003 Å
• b: 15.596 ± 0.003 Å
• c: 16.373 ± 0.004 Å
• α: 90°
• β: 105.942 ± 0.003°
• γ: 90°
• Cell volume: 3098.4 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes