Information card for entry 4331765

Structure parameters

• Formula: C56 H48 Mo8 O32 S6
• Calculated formula: C56 H48 Mo8 O32 S6
• Title of publication: New Metal−Organic Polygons Involving MM Quadruple Bonds: M8(O2CtBu)4(μ-SC4H2-3,4-{CO2}2)6(M = Mo, W)
• Authors of publication: Byrnes, Matthew J.; Chisholm, Malcolm H.; Patmore, Nathan J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 9347 - 9352
• a: 15.315 ± 0.002 Å
• b: 15.315 ± 0.002 Å
• c: 39.624 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9294 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No