Information card for entry 2020065

Structure parameters

• Chemical name: <i>catena</i>-Poly[triethyl(2-hydroxyethyl)azanium [[bromidomercurate(II)]-di-μ-bromido]]
• Formula: C8 H20 Br3 Hg N O
• Calculated formula: C8 H20 Br3 Hg N O
• SMILES: [Hg]1(Br)(Br)(Br)[Br][Hg]([Br]1)Br.[N+](CCO)(CC)(CC)CC.[N+](CCO)(CC)(CC)CC
• Title of publication: Isostructural organic‒inorganic hybrid compounds: triethylcholine tribromidocadmate and triethylcholine tribromidomercurate
• Authors of publication: Wang, Dong-Yan; Hou, Xue-Li; Li, Xue-Nan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• a: 10.373 ± 0.002 Å
• b: 7.862 ± 0.0016 Å
• c: 17.984 ± 0.004 Å
• α: 90°
• β: 94.85 ± 0.03°
• γ: 90°
• Cell volume: 1461.4 ± 0.5 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: 0.0763
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes