Information card for entry 2013790

Structure parameters

• Chemical name: (pyrimidine-2-thionato-κS)(pyrimidinium-2-thionato-κS)mercury(II) tetrabromomercury(II)
• Formula: C16 H14 Br4 Hg3 N8 S4
• Calculated formula: C16 H14 Br4 Hg3 N8 S4
• Title of publication: A new complex of HgBr~2~ and pyrimidine-2-thione: (pyrimidine-2-thionato-κ<i>S</i>)(pyrimidinium-2-thionato-κ<i>S</i>)mercury(II) tetrabromomercury(II)
• Authors of publication: Matković-Čalogović, Dubravka; Mrvoš-Sermek, Draginja; Popović, Zora; Soldin, Željka
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m44 - m46
• a: 9.0573 ± 0.0007 Å
• b: 17.1999 ± 0.0013 Å
• c: 37.754 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5881.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No