Information card for entry 2201296

Structure parameters

• Common name: Bis(tetraethylammonium) octabromotrimercurate(II)
• Formula: C16 H40 Br8 Hg3 N2
• Calculated formula: C16 H40 Br8 Hg3 N2
• SMILES: CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.[Br]1[Hg](Br)(Br)[Br][Hg]1(Br)Br.Br[Hg]Br
• Title of publication: Bis(tetraethylammonium) octabromotrimercurate(II), (Et~4~N)~2~[Hg~3~Br~8~]
• Authors of publication: Nockemann, Peter; Meyer, Gerd
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m531 - m533
• a: 10.0888 ± 0.0011 Å
• b: 10.0888 ± 0.0011 Å
• c: 16.094 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1638.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 84
• Hermann-Mauguin space group symbol: P 42/m
• Hall space group symbol: -P 4c
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes