Information card for entry 4304853

Structure parameters

• Common name: Dithioerythritol Arsenite
• Formula: C4 H7 As O2 S2
• Calculated formula: C4 H7 As O2 S2
• SMILES: [As]12SC[C@H](O2)[C@H](O)CS1.[As]12SC[C@@H](O2)[C@@H](O)CS1
• Title of publication: A pH-Metric, UV, NMR, and X-ray Crystallographic Study on Arsenous Acid Reacting with Dithioerythritol
• Authors of publication: András Kolozsi; Andrea Károly-Lakatos; Gábor Galbács; Anders Østergaard Madsen; Erik Larsen; Béla Gyurcsik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3832 - 3840
• a: 12.634 ± 0.001 Å
• b: 33.36 ± 0.002 Å
• c: 6.547 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2759.4 ± 0.5 ų
• Cell temperature: 122.4 ± 0.5 K
• Ambient diffraction temperature: 122.4 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No