Information card for entry 7020868

Structure parameters

• Formula: C68 H1012 Mo60 N68 Na4 O764 S60 W72
• Calculated formula: Mo60 O654.98 S60 W72
• Title of publication: A further step towards tuning the properties of metal-chalcogenide nanocapsules by replacing skeletal oxide by sulphide ligands.
• Authors of publication: Schäffer, Christian; Todea, Ana Maria; Bögge, Hartmut; Floquet, Sébastien; Cadot, Emmanuel; Korenev, Vladimir S.; Fedin, Vladimir P.; Gouzerh, Pierre; Müller, Achim
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 330 - 333
• a: 32.6869 ± 0.0018 Å
• b: 32.6869 ± 0.0018 Å
• c: 73.762 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 68251 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No