Information card for entry 1519189

Structure parameters

• Formula: C14 H8 Hg N2 S4
• Calculated formula: C14 H8 Hg N2 S4
• Title of publication: bis(1,3-Benzothiazole-2-thiolato-S)-mercury(ii)
• Authors of publication: Sammon, C.; Raper, E. S.; Mansor, R.; Hibbs, D. E.; Constable, C. P.; Bell, N. A.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1997
• Pages of publication: 97
• a: 11.817 ± 0.002 Å
• b: 5.983 ± 0.0008 Å
• c: 31.689 ± 0.01 Å
• α: 90°
• β: 97.34 ± 0.04°
• γ: 90°
• Cell volume: 2222.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No