Information card for entry 2217296

Structure parameters

• Chemical name: Bis(isopropylammonium) tetrasulfidomolybdate(VI)
• Formula: C6 H20 Mo N2 S4
• Calculated formula: C6 H20 Mo N2 S4
• SMILES: [Mo](=S)(=S)([S-])[S-].[NH3+]C(C)C.[NH3+]C(C)C
• Title of publication: Bis(isopropylammonium) tetrasulfidomolybdate(VI)
• Authors of publication: Srinivasan, Bikshandarkoil R.; Näther, Christian; Naik, Ashish R.; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m66 - m67
• a: 20.264 ± 0.0014 Å
• b: 13.9118 ± 0.0012 Å
• c: 11.0933 ± 0.0008 Å
• α: 90°
• β: 110.076 ± 0.008°
• γ: 90°
• Cell volume: 2937.3 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes