Information card for entry 7113574

Structure parameters

• Formula: H1100 K30 Mo146 Na16 O1043 S16
• Calculated formula: K20 Mo146 Na3 O840 S16
• Title of publication: Synergetic activation of "silent receptor" sites leading to a new type of inclusion complex: integration of a 64-membered ring comprising K+ and SO~4~^2-^ ions into a molybdenum oxide-based nanoobject
• Authors of publication: Müller, Achim; Toma, Liviu; Bögge, Hartmut; Schmidtmann, Marc; Kögerler, Paul
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 16
• Pages of publication: 2000 - 2001
• a: 51.726 ± 0.002 Å
• b: 51.726 ± 0.002 Å
• c: 21.7465 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 58184 ± 4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1427
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections: 0.2394
• Weighted residual factors for significantly intense reflections: 0.1961
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKalpha
• Duplicate of: 7103847
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No