Information card for entry 2021141

Structure parameters

• Chemical name: Poly[[μ~6~-pentahydrogen [1,1'-biphenyl]-3,3',5,5'-tetrayltetrakis(phosphonato)]erbium(III)] 2.5-hydrate]
• Formula: C12 H16 Er O14.5 P4
• Calculated formula: C24 H22 Er2 O29 P8
• Title of publication: Metal‒organic framework assembled from erbium and a tetrapodal polyphosphonic acid organic linker
• Authors of publication: Mendes, Ricardo F.; Firmino, Ana D. G.; Tomé, João P. C.; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• a: 9.1557 ± 0.0011 Å
• b: 23.753 ± 0.003 Å
• c: 10.379 ± 0.0013 Å
• α: 90°
• β: 115.261 ± 0.004°
• γ: 90°
• Cell volume: 2041.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes