Information card for entry 2241026

Structure parameters

• Chemical name: Dichloridobis(<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)mercury(II)
• Formula: C6 H16 Cl2 Hg N4 S2
• Calculated formula: C6 H16 Cl2 Hg N4 S2
• SMILES: C(NC)(NC)=[S][Hg](Cl)([S]=C(NC)NC)Cl
• Title of publication: Crystal structure of dichloridobis(<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)mercury(II)
• Authors of publication: Shaheen, Muhammad Ashraf; Munawar, Aisha; Sadaf, Haseeba; Tahir, Muhammad Nawaz; Isab, Anvarhusein A.; Ahmad, Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: 1061 - 1063
• a: 13.1434 ± 0.0012 Å
• b: 8.9971 ± 0.0003 Å
• c: 12.6596 ± 0.0009 Å
• α: 90°
• β: 107.955 ± 0.004°
• γ: 90°
• Cell volume: 1424.12 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes