Information card for entry 4309858

Structure parameters

• Formula: C4 H12 Hg N2 S2
• Calculated formula: C4 H12 Hg N2 S2
• SMILES: [Hg]12(SCC[NH2]1)SCC[NH2]2
• Title of publication: Cysteamine and Its Homoleptic Complexes with Group 12 Metal Ions. Differences in the Coordination Chemistry of ZnII, CdII, and HgII with a Small N,S-Donor Ligand
• Authors of publication: Holger Fleischer; Yvonne Dienes; Bernd Mathiasch; Volker Schmitt; Dieter Schollmeyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8087 - 8096
• a: 9.7018 ± 0.0002 Å
• b: 9.1374 ± 0.0002 Å
• c: 10.5649 ± 0.0002 Å
• α: 90°
• β: 111.562 ± 0.0014°
• γ: 90°
• Cell volume: 871.03 ± 0.03 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No