Information card for entry 2012036

Structure parameters

• Chemical name: pentarubidium heptacosamolybdenum hentriacontaselenium
• Formula: Mo27 Rb5 Se31
• Calculated formula: Mo27 Rb5 Se31
• Title of publication: Rb~5~Mo~27~Se~31~, a novel ternary reduced molybdenum selenide containing Mo~12~ and Mo~15~ clusters
• Authors of publication: Picard, S.; Gougeon, P.; Potel, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 663 - 664
• a: 9.5208 ± 0.0001 Å
• b: 9.5208 ± 0.0001 Å
• c: 37.5113 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2944.69 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes