Information card for entry 2218367

Structure parameters

• Common name: [3-APyH2].HgBr4.H2O
• Chemical name: 3-Ammoniopyridinium tetrabromidomercurate(II) monohydrate
• Formula: C5 H10 Br4 Hg N2 O
• Calculated formula: C5 H10 Br4 Hg N2 O
• SMILES: O.[Hg](Br)(Br)([Br-])[Br-].[NH3+]c1c[nH+]ccc1
• Title of publication: 3-Ammoniopyridinium tetrabromidomercurate(II) monohydrate
• Authors of publication: Ali, Basem Fares; Al-Far, Rawhi H.; Haddad, Salim F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m751 - m752
• a: 8.1896 ± 0.0007 Å
• b: 14.0245 ± 0.0012 Å
• c: 11.5711 ± 0.001 Å
• α: 90°
• β: 94.73 ± 0.002°
• γ: 90°
• Cell volume: 1324.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0626
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes