Information card for entry 7204687

Structure parameters

• Formula: C7 H11 Hg N S2
• Calculated formula: C7 H11 Hg N S2
• SMILES: [Hg](SC(=S)C1=C(N)CCC1)C
• Title of publication: Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates
• Authors of publication: Sing Lai, Chian; Tiekink, Edward R. T.
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 44
• Pages of publication: 253
• a: 12.3186 ± 0.0014 Å
• b: 12.7707 ± 0.0015 Å
• c: 12.3438 ± 0.0013 Å
• α: 90°
• β: 91.394 ± 0.002°
• γ: 90°
• Cell volume: 1941.3 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.116
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No