Information card for entry 2232556

Structure parameters

• Chemical name: Dibromidobis{1-[4-(pyridin-4-yl)phenyl]ethanone-κ<i>N</i>}mercury(II)
• Formula: C26 H22 Br2 Hg N2 O2
• Calculated formula: C26 H22 Br2 Hg N2 O2
• SMILES: Br[Hg]([n]1ccc(cc1)c1ccc(cc1)C(=O)C)([n]1ccc(cc1)c1ccc(cc1)C(=O)C)Br
• Title of publication: Dibromidobis{1-[4-(pyridin-4-yl)phenyl]ethanone-κ<i>N</i>}mercury(II)
• Authors of publication: Zhang, Wen-Shen; Liu, Zhi-Juan; Xu, Feng; Xun, Qi-Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1849
• a: 16.656 ± 0.006 Å
• b: 5.296 ± 0.002 Å
• c: 29.442 ± 0.011 Å
• α: 90°
• β: 102.453 ± 0.006°
• γ: 90°
• Cell volume: 2536 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes