Information card for entry 2240392

Structure parameters

• Chemical name: Bis(thiocyanato-κ<i>S</i>)bis(thiourea-κ<i>S</i>)mercury(II)
• Formula: C4 H8 Hg N6 S4
• Calculated formula: C4 H8 Hg N6 S4
• SMILES: [Hg](SC#N)(SC#N)([S]=C(N)N)[S]=C(N)N
• Title of publication: Crystal structure of bis(thiocyanato-κ<i>S</i>)bis(thiourea-κ<i>S</i>)mercury(II)
• Authors of publication: Baskaran, A.; Rajarajan, K.; NizamMohideen, M.; Sagayaraj, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: m28 - m29
• a: 8.5359 ± 0.0005 Å
• b: 9.0337 ± 0.0005 Å
• c: 15.7575 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1215.07 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes