Information card for entry 7034009

Structure parameters

• Formula: C15 H13 Hg N O S2
• Calculated formula: C15 H13 Hg N O S2
• SMILES: [Hg](SC(=C\C(=O)c1cnccc1)/SC)c1ccccc1
• Title of publication: Influence of the ligand frameworks on the coordination environment and properties of new phenylmercury(ii) β-oxodithioester complexes.
• Authors of publication: Rajput, Gunjan; Yadav, Manoj Kumar; Drew, Michael G. B.; Singh, Nanhai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5909 - 5916
• a: 8.481 ± 0.0005 Å
• b: 21.8202 ± 0.0012 Å
• c: 8.5851 ± 0.0003 Å
• α: 90°
• β: 104.74 ± 0.004°
• γ: 90°
• Cell volume: 1536.45 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No