Information card for entry 4308343

Structure parameters

• Formula: C12 H12 Cl2 Hg N2 S
• Calculated formula: C12 H12 Cl2 Hg N2 S
• SMILES: [Hg]1(Cl)(Cl)[n]2ccccc2CSCc2[n]1cccc2
• Title of publication: Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide
• Authors of publication: Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 27 - 39
• a: 11.7382 ± 0.0005 Å
• b: 8.5553 ± 0.0004 Å
• c: 15.1543 ± 0.0006 Å
• α: 90°
• β: 111.931 ± 0.001°
• γ: 90°
• Cell volume: 1411.72 ± 0.11 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• 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: 0.0236
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No