Information card for entry 7114190

Structure parameters

• Formula: H412 K22 Mo80 Na6 O536 S12 V22
• Calculated formula: K19.7 Mo79.544 O521.04 S12.04 V22.456
• Title of publication: A potassium selective 'nanosponge' with well defined pores
• Authors of publication: Müller, Achim; Botar, Bogdan; Bögge, Hartmut; Kögerler, Paul; Berkle, Alois
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 2944 - 2945
• a: 38.8088 ± 0.0007 Å
• b: 38.8088 ± 0.0007 Å
• c: 32.9877 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 49684 ± 2 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 7
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m :2
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections: 0.2028
• Weighted residual factors for significantly intense reflections: 0.1505
• Goodness-of-fit parameter for all reflections: 1.143
• Goodness-of-fit parameter for significantly intense reflections: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No