Information card for entry 2210379

Structure parameters

• Chemical name: {4-Bromo-2-[3-(dimethylamino)propyliminomethyl]phenolato}dichlorozinc(II)
• Formula: C12 H17 Br Cl2 N2 O Zn
• Calculated formula: C12 H17 Br Cl2 N2 O Zn
• SMILES: [Zn]1(Cl)(Cl)Oc2c(cc(Br)cc2)C=[N]1CCC[NH+](C)C
• Title of publication: {4-Bromo-2-[3-(dimethylamino)propyliminomethyl]phenolato}dichlorozinc(II)
• Authors of publication: Xiao-Yang Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2173 - m2174
• a: 6.938 ± 0.001 Å
• b: 15.202 ± 0.001 Å
• c: 15.906 ± 0.001 Å
• α: 90°
• β: 94.058 ± 0.001°
• γ: 90°
• Cell volume: 1673.4 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes