Information card for entry 2218820

Structure parameters

• Chemical name: {(E)-2-Bromo-4-chloro-6-[3- (dimethylammonio)propyliminomethyl]phenolato}dichloridozinc(II)
• Formula: C12 H16 Br Cl3 N2 O Zn
• Calculated formula: C12 H16 Br Cl3 N2 O Zn
• SMILES: [Zn]1(Cl)(Cl)Oc2c(cc(Cl)cc2Br)C=[N]1CCC[NH+](C)C
• Title of publication: {(<i>E</i>)-2-Bromo-4-chloro-6-[3-(dimethylammonio)propyliminomethyl]phenolato}dichloridozinc(II)
• Authors of publication: Ye, Li-Juan; You, Zhonglu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m869
• a: 7.522 ± 0.004 Å
• b: 26.808 ± 0.015 Å
• c: 8.354 ± 0.004 Å
• α: 90°
• β: 90.921 ± 0.009°
• γ: 90°
• Cell volume: 1684.4 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0883
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes