Information card for entry 2219174

Structure parameters

• Chemical name: Dibromido{(<i>E</i>)-2-ethoxy-6-[3- (methylammonio)propyliminomethyl]phenolato}zinc(II)
• Formula: C13 H20 Br2 N2 O2 Zn
• Calculated formula: C13 H20 Br2 N2 O2 Zn
• SMILES: [Zn]1(Br)(Br)Oc2c(cccc2OCC)C=[N]1CCC[NH2+]C
• Title of publication: Dibromido{(<i>E</i>)-2-ethoxy-6-[3-(methylammonio)propyliminomethyl]phenolato}zinc(II)
• Authors of publication: Zhu, Xue-Wen; Yang, Xu-Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1092 - m1093
• a: 17.884 ± 0.003 Å
• b: 14.374 ± 0.002 Å
• c: 14.992 ± 0.002 Å
• α: 90°
• β: 114.482 ± 0.003°
• γ: 90°
• Cell volume: 3507.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1448
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes