Information card for entry 2011895

Structure parameters

• Chemical name: diiodo-3,4,5,6-tetrahydropyrimidinium-2-thiolato mercury(II)
• Formula: C4 H8 Hg I2 N2 S
• Calculated formula: C4 H8 Hg I2 N2 S
• Title of publication: Diiodo(3,4,5,6-tetrahydropyrimidinium-2-thiolato-<i>S</i>)mercury(II)
• Authors of publication: Matković-Čalogović, Dubravka; Popović, Zora; Pavlović, Gordana; Soldin, Željka; Giester, Gerald
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 409 - 411
• a: 12.826 ± 0.002 Å
• b: 7.392 ± 0.001 Å
• c: 11.447 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1085.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No