Information card for entry 2201488

Structure parameters

• Formula: C11 H13 Hg N S2
• Calculated formula: C11 H13 Hg N S2
• SMILES: [Hg]1(SC(=[S]1)N1CCCC1)c1ccccc1
• Title of publication: Phenyl(pyrrolinedithiocarbamato)mercury(II)
• Authors of publication: Lai, Chian Sing; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: m674 - m675
• a: 13.3711 ± 0.001 Å
• b: 6.3641 ± 0.0005 Å
• c: 14.5826 ± 0.0011 Å
• α: 90°
• β: 95.535 ± 0.002°
• γ: 90°
• Cell volume: 1235.12 ± 0.16 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.047
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No