Information card for entry 2210928

Structure parameters

• Formula: C12 H17 Br3 N2 O Zn
• Calculated formula: C12 H17 Br3 N2 O Zn
• SMILES: [Zn]1(Br)(Br)Oc2c(cc(Br)cc2)C=[N]1CCC[NH+](C)C
• Title of publication: Dibromo{4-bromo-2-[(3-dimethylaminopropylimino)methyl]phenolato}zinc(II)
• Authors of publication: San-Jun Peng; Hai-Yun Hou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2947 - m2949
• a: 7.037 ± 0.001 Å
• b: 15.039 ± 0.002 Å
• c: 16.17 ± 0.002 Å
• α: 90°
• β: 92.041 ± 0.003°
• γ: 90°
• Cell volume: 1710.2 ± 0.4 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: 0.1327
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2244
• Weighted residual factors for all reflections included in the refinement: 0.2683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes