Information card for entry 2014025

Structure parameters

• Chemical name: Dicaesium pentadecamolybdenum nonadecasulfide
• Formula: Cs2 Mo15 S19
• Calculated formula: Cs2 Mo15 S19
• Title of publication: Cs~2~Mo~15~S~19~: a novel ternary reduced molybdenum sulfide containing Mo~6~ and Mo~9~ clusters
• Authors of publication: Picard, S.; Salloum, D.; Gougeon, P.; Potel, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: i61 - i62
• a: 9.5012 ± 0.0001 Å
• b: 9.5012 ± 0.0001 Å
• c: 56.4199 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4410.83 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes