Information card for entry 7110115

Structure parameters

• Formula: H2 O11.5 P3 Y2
• Calculated formula: O11.5 P3 Y2
• Title of publication: Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates
• Authors of publication: Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11668
• a: 13.3727 ± 0.0004 Å
• b: 13.3727 ± 0.0004 Å
• c: 13.3727 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2391.43 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 199
• Hermann-Mauguin space group symbol: I 21 3
• Hall space group symbol: I 2b 2c 3
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No