Information card for entry 2015825

Structure parameters

• Chemical name: potassium 3',4'-ethylenedithio-3-methylamidotetrathiafulvalene(+) tetraisothiocyanatomercury(II)
• Formula: C14 H9 Hg K N5 O S10
• Calculated formula: C14 H9 Hg K N5 O S10
• Title of publication: 3-Methylamido-3',4'-ethylenedithiotetrathiafulvalene(+) potassium tetraisothiocyanatomercury(II)
• Authors of publication: Simonov, Sergey; Zorina, Leokadiya; Kushch, Natal'ya; Mézière, Cécile; Batail, Patrick
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m126 - m128
• a: 13.7129 ± 0.0017 Å
• b: 7.9403 ± 0.0009 Å
• c: 24.862 ± 0.003 Å
• α: 90°
• β: 101.879 ± 0.005°
• γ: 90°
• Cell volume: 2649.1 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes