Information card for entry 2237916

Structure parameters

• Chemical name: (Thiocyanato-κ<i>S</i>)tris(thiourea-κ<i>S</i>)mercury(II) chloride
• Formula: C4 H12 Cl Hg N7 S4
• Calculated formula: C4 H12 Cl Hg N7 S4
• SMILES: C(N)(N)=[S][Hg](SC#N)([S]=C(N)N)[S]=C(N)N.[Cl-]
• Title of publication: (Thiocyanato-κ<i>S</i>)tris(thiourea-κ<i>S</i>)mercury(II) chloride
• Authors of publication: Shihabuddeen Syed, A.; Rajarajan, K.; NizamMohideen, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: i33
• a: 8.2175 ± 0.0003 Å
• b: 16.3257 ± 0.0008 Å
• c: 22.6793 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3042.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes