Information card for entry 2014301

Structure parameters

• Common name: ((±)trans-1,2cnH)~2~ tetrathiomolybdate(VI)
• Chemical name: Bis[(±)trans-2-aminocyclohexylammonium] tetrathiomolybdate(VI)
• Formula: C12 H30 Mo N4 S4
• Calculated formula: C12 H30 Mo N4 S4
• SMILES: [C@@H]1([C@@H](CCCC1)N)[NH3+].S=[Mo](=S)([S-])[S-].[C@H]1([C@H](CCCC1)N)[NH3+]
• 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: 19.279 ± 0.003 Å
• b: 9.4502 ± 0.0011 Å
• c: 11.3308 ± 0.0016 Å
• α: 90°
• β: 107.736 ± 0.012°
• γ: 90°
• Cell volume: 1966.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes