Information card for entry 2224908

Structure parameters

• Chemical name: Bis{2-ethoxy-6-[2-(methylammonio)ethyliminomethyl]phenolato}thiocyanatozinc(II) nitrate
• Formula: C25 H36 N6 O7 S Zn
• Calculated formula: C25 H36 N6 O7 S Zn
• SMILES: [Zn]12([N](=Cc3c(O1)c(OCC)ccc3)CC[NH2+]C)([N](=Cc1c(O2)c(OCC)ccc1)CC[NH2+]C)N=C=S.N(=O)(=O)[O-]
• Title of publication: Bis{2-ethoxy-6-[2-(methylammonio)ethyliminomethyl]phenolato}thiocyanatozinc(II) nitrate
• Authors of publication: Wang, Chen-Yi; Han, Zhi-Ping; Wu, Xiang; Yuan, Cai-Jun; Zhou, Jun-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m120
• a: 10.601 ± 0.002 Å
• b: 23.335 ± 0.003 Å
• c: 13.749 ± 0.002 Å
• α: 90°
• β: 112.218 ± 0.003°
• γ: 90°
• Cell volume: 3148.6 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes