Information card for entry 2207315

Structure parameters

• Common name: butane-1,4-diammonium tetrathiomolybdate(VI)
• Chemical name: butane-1,4-diammonium tetrathiomolybdate(VI)
• Formula: C4 H14 Mo N2 S4
• Calculated formula: C4 H14 Mo N2 S4
• SMILES: C(CCC[NH3+])[NH3+].[Mo](=S)(=S)([S-])[S-]
• Title of publication: Butane-1,4-diammonium tetrathiomolybdate(VI)
• Authors of publication: Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2454 - m2456
• a: 7.1447 ± 0.0011 Å
• b: 8.2159 ± 0.0012 Å
• c: 10.5031 ± 0.0019 Å
• α: 79.558 ± 0.01°
• β: 81.561 ± 0.013°
• γ: 83.701 ± 0.012°
• Cell volume: 597.56 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes