Information card for entry 2235512

Structure parameters

• Chemical name: Dichlorido[methyl 2-(quinolin-8-yloxy-κ^2^<i>N</i>,<i>O</i>)acetate-κ<i>O</i>]mercury(II)
• Formula: C12 H11 Cl2 Hg N O3
• Calculated formula: C12 H11 Cl2 Hg N O3
• SMILES: c12cccc(c1[n]([Hg](Cl)Cl)ccc2)OCC(=O)OC
• Title of publication: Dichlorido[methyl 2-(quinolin-8-yloxy-κ^2^<i>N</i>,<i>O</i>)acetate-κ<i>O</i>]mercury(II)
• Authors of publication: Wang, Yu-Hong; Zhu, Xue-Hua; Song, Rui-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m951
• a: 7.2644 ± 0.0004 Å
• b: 9.7607 ± 0.0002 Å
• c: 10.8411 ± 0.0006 Å
• α: 71.317 ± 0.007°
• β: 75.453 ± 0.007°
• γ: 69.816 ± 0.008°
• Cell volume: 674.87 ± 0.07 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: 0.0535
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes