Information card for entry 2013309

Structure parameters

• Common name: 1,3-propanediammonium tetrathiotungstate
• Chemical name: 1,3-propanediammonium tetrathiotungstate
• Formula: C3 H12 N2 S4 W
• Calculated formula: C3 H12 N2 S4 W
• SMILES: [W](=S)(=S)([S-])[S-].[NH3+]CCC[NH3+]
• Title of publication: 1,3-Propanediammonium tetrathiotungstate and <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium tetrathiotungstate
• Authors of publication: Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m124 - m127
• a: 10.801 ± 0.002 Å
• b: 10.609 ± 0.002 Å
• c: 10.774 ± 0.002 Å
• α: 90°
• β: 119.6 ± 0.03°
• γ: 90°
• Cell volume: 1073.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0352
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No