Information card for entry 1519188

Structure parameters

• Formula: C6 H10 Br2 Hg N2 S4
• Calculated formula: C6 H10 Br2 Hg N2 S4
• SMILES: [Hg](Br)(Br)([S]=C1SCCN1)[S]=C1SCCN1
• Title of publication: Dibromo-bis(1,3-thiazolidine-2-thione)-mercury(ii)
• Authors of publication: Sammon, C.; Raper, E. S.; Mansor, R.; Hursthouse, Michael B.; Hibbs, D. E.; Constable, C. P.; Coles, Simon J.; Bell, N. A.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1997
• Pages of publication: 96
• a: 7.623 ± 0.001 Å
• b: 8.951 ± 0.001 Å
• c: 10.914 ± 0.002 Å
• α: 82.76 ± 0.01°
• β: 73.33 ± 0.006°
• γ: 80.54 ± 0.02°
• Cell volume: 701.24 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.1001
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No