Information card for entry 2004725

Structure parameters

• Chemical name: triaquabis(O,O'-hydrogenoxalate) (O,O'-oxalate)(μ^3^-sulfide)tris(μ^2^-sulfide)trimolybdenum(IV)
• Formula: C10 H20 Mo3 O17 S4
• Calculated formula: C10 H4 Mo3 O17 S4
• Title of publication: A Trinuclear Cluster of Molybdenum(IV), Mo~3~(μ~3~-S)(μ~2~-S)~3~(HC~2~O~4~)~2~(C~2~O~4~)(H~2~O)~3~
• Authors of publication: Cotton, F. A.; Daniels, L. M.; Shang, M.; Llusar, R.; Schwotzer, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 835 - 838
• a: 19.403 ± 0.005 Å
• b: 6.555 ± 0.001 Å
• c: 19.512 ± 0.006 Å
• α: 90°
• β: 97.38 ± 0.02°
• γ: 90°
• Cell volume: 2461.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1637
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.0931
• Goodness-of-fit parameter for all reflections: 0.825
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No