Information card for entry 7019791

Structure parameters

• Formula: C20 H110 Mo8 N8 O79 P8 Rb8 S8
• Calculated formula: C20 H32 Mo8 N8 O79 P8 Rb8 S8
• Title of publication: Syntheses, characterizations and properties of [Mo(2)O(2)S(2)]-based oxothiomolybdenum wheels incorporating bisphosphonate ligands.
• Authors of publication: El Moll, Hani; Kemmegne-Mbouguen, Justin Claude; Haouas, Mohamed; Taulelle, Francis; Marrot, Jérôme; Cadot, Emmanuel; Mialane, Pierre; Floquet, Sébastien; Dolbecq, Anne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 33
• Pages of publication: 9955 - 9963
• a: 21.5609 ± 0.0014 Å
• b: 21.5609 ± 0.0014 Å
• c: 11.3677 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5284.5 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No