Information card for entry 7021605

Structure parameters

• Formula: C18 H24 F12 Hg N6 O8 S6
• Calculated formula: C18 H24 F12 Hg N6 O8 S6
• SMILES: C1(N(C=CN1CC)CC)=[S][Hg][S]=C1N(C=CN1CC)CC.FC(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F.FC(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F
• Title of publication: Coordination and extraction of mercury(ii) with an ionic liquid-based thione extractant.
• Authors of publication: Lu, Wenjuan; Barber, Patrick S.; Kelley, Steven P.; Rogers, Robin D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 12908 - 12916
• a: 8.4298 ± 0.0005 Å
• b: 17.8332 ± 0.001 Å
• c: 11.8196 ± 0.0007 Å
• α: 90°
• β: 99.958 ± 0.002°
• γ: 90°
• Cell volume: 1750.08 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No