Information card for entry 2202334

Structure parameters

• Chemical name: 1,4-dimethylpiperazinium tetrathiotungstate(VI)
• Formula: C6 H16 N2 S4 W
• Calculated formula: C6 H16 N2 S4 W
• SMILES: C1C[NH+](CC[NH+]1C)C.S=[W](=S)([S-])[S-]
• Title of publication: 1,4-Dimethylpiperazinium tetrathiotungstate(VI)
• Authors of publication: Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m681 - m683
• a: 13.3792 ± 0.0011 Å
• b: 12.6369 ± 0.0007 Å
• c: 14.9381 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2525.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes