Information card for entry 1561588

Structure parameters

• Formula: C3 Cs2 K0.5 O68 P2 W18
• Calculated formula: C3 Cs2 K0.5 O68 P2 W18
• Title of publication: Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives.
• Authors of publication: Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka
• Journal of publication: Nanoscale
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 8049 - 8057
• a: 17.209 ± 0.0003 Å
• b: 17.209 ± 0.0006 Å
• c: 28.557 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7324.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.1532
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.3464
• Weighted residual factors for all reflections included in the refinement: 0.3674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.61 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No