Information card for entry 7110114

Structure parameters

• Formula: C3 H8 Er2 O11.5 P3
• Calculated formula: C3 Er2 O11.5 P3
• 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: 13.52 ± 0.0001 Å
• b: 13.52 ± 0.0001 Å
• c: 13.52 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2471.33 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No