Information card for entry 7029719

Structure parameters

• Common name: [Bis(quinolinium)mercury(II)][thiocyanate]
• Formula: C20 H14 Hg N4 S2
• Calculated formula: C20 H14 Hg N4 S2
• SMILES: N#C[S-].[Hg](c1cccc2ccc[nH+]c12)c1cccc2ccc[nH+]c12.N#C[S-]
• Title of publication: Preparation of RHgCl via transmetalation of (8-quinolyl)SnMe3 and redistribution to R2Hg (R = 8-quinolyl): a highly distorted diorganomercury(ii) with 84 degree C-Hg-C angle.
• Authors of publication: Tamang, Sem Raj; Son, Jung-Ho; Hoefelmeyer, James D
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7139 - 7145
• a: 6.86 ± 0.003 Å
• b: 8.202 ± 0.004 Å
• c: 9.116 ± 0.004 Å
• α: 107.127 ± 0.005°
• β: 110.701 ± 0.005°
• γ: 94.266 ± 0.005°
• Cell volume: 449.3 ± 0.4 ų
• Cell temperature: 100 ± 0 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No