Information card for entry 2006055

Structure parameters

• Common name: (Me~4~N)[Hg(SCOPh)~3~]
• Chemical name: Tetramethylammonium Tris(thiobenzoato)mercury(II)
• Formula: C25 H27 Hg N O3 S3
• Calculated formula: C25 H27 Hg N O3 S3
• Title of publication: Tetramethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)mercury(II)
• Authors of publication: Vittal, J. J.; Dean, P. A. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 409 - 410
• a: 11.48 ± 0.002 Å
• b: 15.846 ± 0.003 Å
• c: 15.14 ± 0.003 Å
• α: 90°
• β: 91.5 ± 0.03°
• γ: 90°
• Cell volume: 2753.2 ± 0.9 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: 0.0922
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1222
• Weighted residual factors for significantly intense reflections: 0.1037
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No