Information card for entry 2223301

Structure parameters

• Chemical name: Bis(1-butyl-3-propylthiourea)dicyanidomercury(II)
• Formula: C20 H40 Hg N6 S2
• Calculated formula: C20 H40 Hg N6 S2
• SMILES: C(NCCCC)(NCCCC)=[S][Hg](C#N)(C#N)[S]=C(NCCCC)NCCCC
• Title of publication: Bis(1,3-dibutylthiourea)dicyanidomercury(II)
• Authors of publication: Ahmad, Saeed; Sadaf, Haseeba; Akkurt, Mehmet; Sharif, Shahzad; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1191 - m1192
• a: 17.4692 ± 0.0003 Å
• b: 9.5928 ± 0.0002 Å
• c: 17.4699 ± 0.0004 Å
• α: 90°
• β: 111.54 ± 0.001°
• γ: 90°
• Cell volume: 2723.12 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes