Information card for entry 2015820

Structure parameters

• Common name: ethylenediammonium oxotrithiotungstate(VI)
• Chemical name: ethylenediammonium oxotrithiotungstate(VI)
• Formula: C2 H10 N2 O S3 W
• Calculated formula: C2 H10 N2 O S3 W
• SMILES: [W](=S)(=S)([S-])[O-].[NH3+]CC[NH3+]
• Title of publication: Competing hydrogen-bond acceptors in ethylenediammonium oxotrithiotungstate(VI)
• Authors of publication: Srinivasan, Bikshandarkoil R.; Naik, Ashish R.; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m81 - m84
• a: 8.8191 ± 0.0014 Å
• b: 10.7923 ± 0.0018 Å
• c: 9.3793 ± 0.0014 Å
• α: 90°
• β: 90.631 ± 0.012°
• γ: 90°
• Cell volume: 892.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes