Information card for entry 7212207

Structure parameters

• Common name: (Ag2Pra2biim)5.33H2O
• Formula: C12 H22.67 Ag2 N4 O9.33
• Calculated formula: C12 H22.67 Ag2 N4 O9.33333
• Title of publication: Reversible formation of regular pentagonal dodecahedral (H2O)20 in a 2D metal‒organic framework
• Authors of publication: Sang, Rui-Li; Xu, Li
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1377
• a: 20.222 ± 0.003 Å
• b: 20.222 ± 0.003 Å
• c: 25.168 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8913 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No