Information card for entry 7125641

Structure parameters

• Formula: Fe40 Mo96 Na32 O632 P68
• Calculated formula: Fe40 Mo96 Na32 O632 P68
• Title of publication: Purely inorganic frameworks based on polyoxometalate clusters with abundant phosphate groups: single-crystal to single-crystal structural transformation and remarkable proton conduction.
• Authors of publication: Zhang, Shan; Lu, Ying; Sun, Xiu-Wei; Li, Zhuo; Dang, Tian-Yi; Zhang, Zhong; Tian, Hong-Rui; Liu, Shu-Xia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 391 - 394
• a: 27.3329 ± 0.0012 Å
• b: 27.3329 ± 0.0012 Å
• c: 37.8621 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28286 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No