Information card for entry 2012436

Structure parameters

• Common name: aquabromo(hydrogenpicolinato)mercury(II)
• Chemical name: Aquabromo(6-carboxypyridine-2-carboxylato-O,N,O')mercury(II)
• Formula: C7 H6 Br Hg N O5
• Calculated formula: C7 H6 Br Hg N O5
• SMILES: [Hg]12(Br)([OH2])[n]3c(cccc3C(=O)O1)C(O)=[O]2
• Title of publication: Aquabromo(6-carboxypyridine-2-carboxylato-<i>O</i>,<i>N</i>,<i>O</i>')mercury(II)
• Authors of publication: Matković-Čalogović, Dubravka; Popović, Jasminka; Popović, Zora; Picek, Igor; Soldin, Željka
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: m39 - m40
• a: 6.967 ± 0.003 Å
• b: 9.068 ± 0.003 Å
• c: 16.007 ± 0.005 Å
• α: 90°
• β: 91.05 ± 0.03°
• γ: 90°
• Cell volume: 1011.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes