Information card for entry 2013547

Structure parameters

• Formula: Cs6 Mo27 S31
• Calculated formula: Cs6 Mo27 S31
• Title of publication: Cs~6~Mo~27~S~31~: a novel ternary reduced molybdenum sulfide containing Mo~9~ and Mo~18~ clusters
• Authors of publication: Picard, S.; Salloum, D.; Gougeon, P.; Potel, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: i112 - i114
• a: 9.4424 ± 0.00005 Å
• b: 9.4424 ± 0.00005 Å
• c: 110.079 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8499.63 ± 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: 0.0421
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes