Information card for entry 7021603

Structure parameters

• Formula: C14 H24 Cl4 Hg2 N4 S2
• Calculated formula: C14 H24 Cl4 Hg2 N4 S2
• SMILES: C(C)N1C(N(C=C1)CC)=[S][Hg]1(Cl)[Cl][Hg]([S]=C2N(C=CN2CC)CC)([Cl]1)Cl
• 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: 9.258 ± 0.005 Å
• b: 9.365 ± 0.005 Å
• c: 14.749 ± 0.009 Å
• α: 90°
• β: 103.015 ± 0.008°
• γ: 90°
• Cell volume: 1245.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No