Information card for entry 2235421

Structure parameters

• Chemical name: Dibromido[methyl 2-(quinolin-8-yloxy-κ^2^<i>N</i>,<i>O</i>)acetic acid-κ<i>O</i>]mercury(II)
• Formula: C12 H11 Br2 Hg N O3
• Calculated formula: C12 H11 Br2 Hg N O3
• SMILES: [Hg](Br)(Br)[n]1cccc2cccc(OCC(=O)OC)c12
• Title of publication: Dibromido[methyl 2-(quinolin-8-yloxy-κ^2^<i>N</i>,<i>O</i>)acetic acid-κ<i>O</i>]mercury(II)
• Authors of publication: Song, Rui-Feng; Zhu, Xue-Hua; Wang, Yu-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m968
• a: 7.3132 ± 0.0008 Å
• b: 9.9385 ± 0.001 Å
• c: 10.9902 ± 0.001 Å
• α: 72.102 ± 0.011°
• β: 74.966 ± 0.012°
• γ: 70.74 ± 0.011°
• Cell volume: 706.4 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes