Information card for entry 2217110

Structure parameters

• Chemical name: Dibromidobis(pyrazine-2-carboxylic acid-κN^4^)mercury(II) dihydrate
• Formula: C10 H12 Br2 Hg N4 O6
• Calculated formula: C10 H12 Br2 Hg N4 O6
• SMILES: O.Br[Hg]([n]1ccnc(c1)C(=O)O)([n]1ccnc(c1)C(=O)O)Br.O
• Title of publication: Dibromidobis(pyrazine-2-carboxylic acid-κ<i>N</i>^4^)mercury(II) dihydrate
• Authors of publication: Wang, Guo-Wei; Wu, Wen-Yuan; Zhuang, Ling-Hua; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m13 - m13
• a: 13.895 ± 0.001 Å
• b: 5.7176 ± 0.0002 Å
• c: 21.8753 ± 0.0007 Å
• α: 90°
• β: 102.544 ± 0.002°
• γ: 90°
• Cell volume: 1696.42 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0827
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes