Information card for entry 7247399

Structure parameters

• Formula: C12 H12 O9 Yb
• Calculated formula: C12 H12 O9 Yb
• Title of publication: Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs
• Authors of publication: Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 40
• Pages of publication: 5629 - 5640
• a: 7.7973 ± 0.0003 Å
• b: 9.4775 ± 0.0004 Å
• c: 10.6851 ± 0.0004 Å
• α: 68.823 ± 0.004°
• β: 70.748 ± 0.003°
• γ: 74.995 ± 0.003°
• Cell volume: 686.3 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No