Information card for entry 2221555

Structure parameters

• Chemical name: (2,2'-Dimethyl-4,4'-bi-1,3-thiazole- κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>S</i>)mercury(II)
• Formula: C10 H8 Hg N4 S4
• Calculated formula: C10 H8 Hg N4 S4
• SMILES: [Hg]1(SC#N)(SC#N)[n]2c(scc2c2[n]1c(sc2)C)C
• Title of publication: (2,2'-Dimethyl-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>S</i>)mercury(II)
• Authors of publication: Safari, Nasser; Amani, Vahid; Abedi, Anita; Notash, Behrouz; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m372
• a: 17.3764 ± 0.0003 Å
• b: 12.0534 ± 0.0002 Å
• c: 7.0601 ± 0.0001 Å
• α: 90°
• β: 100.676 ± 0.001°
• γ: 90°
• Cell volume: 1453.1 ± 0.04 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes