Information card for entry 2014302

Structure parameters

• Common name: trans-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)
• Chemical name: trans-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)
• Formula: C6 H16 Mo N2 S4
• Calculated formula: C6 H16 Mo N2 S4
• SMILES: C1CC(CCC1[NH3+])[NH3+].S=[Mo](=S)([S-])[S-]
• Title of publication: Bis[(±)-<i>trans</i>-2-aminocyclohexylammonium] tetrathiomolybdate(VI) and <i>trans</i>-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)
• Authors of publication: Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m98 - m101
• a: 7.0045 ± 0.0012 Å
• b: 9.6833 ± 0.0018 Å
• c: 10.53 ± 0.002 Å
• α: 108.621 ± 0.01°
• β: 92.564 ± 0.01°
• γ: 106.24 ± 0.01°
• Cell volume: 642.7 ± 0.2 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: 0.0456
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No