Information card for entry 2240822

Structure parameters

• Chemical name: Scandium indium pentadecamolybdenum nonadecaselenide
• Formula: In1.39 Mo15 Sc1.91 Se19
• Calculated formula: In1.39 Mo15 Sc1.914 Se19
• Title of publication: Crystal structure of Sc~1.91~In~1.39~Mo~15~Se~19~, containing Mo~6~ and Mo~9~ clusters
• Authors of publication: Gougeon, Patrick; Gall, Philippe; Salloum, Diala
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: 760 - 762
• a: 9.753 ± 0.0002 Å
• b: 9.753 ± 0.0002 Å
• c: 19.3977 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1597.93 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes