Information card for entry 2209413

Structure parameters

• Common name: methylammonium tetrathiomolybdate
• Chemical name: Bis(methylammonium) tetrathiomolybdate(VI)
• Formula: C2 H12 Mo N2 S4
• Calculated formula: C2 H12 Mo N2 S4
• SMILES: C[NH3+].C[NH3+].S=[Mo](=S)([S-])[S-]
• Title of publication: Bis(methylammonium) tetrathiomolybdate(VI)
• Authors of publication: Srinivasan, Bikshandarkoil R.; Näther, Christian; Naik, Ashish R.; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1635 - m1637
• a: 9.519 ± 0.0007 Å
• b: 6.9424 ± 0.0004 Å
• c: 15.7041 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1037.8 ± 0.12 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes