Information card for entry 7061289

Structure parameters

• Formula: C59 H41 K N4 O12 Zn2
• Calculated formula: C59 H41 K N4 O12 Zn2
• Title of publication: A microporous anionic metal–organic framework for aqueous encapsulation and highly reversible sensitization of light-emitting Tb3+ ions
• Authors of publication: Jin, J. C.; Liu, X. Y.; Yang, G. P.; Hou, L.; Wang, Y. Y.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 5201 - 5205
• a: 13.347 ± 0.002 Å
• b: 22.155 ± 0.004 Å
• c: 25.424 ± 0.004 Å
• α: 90°
• β: 99.205 ± 0.003°
• γ: 90°
• Cell volume: 7421 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.2233
• Weighted residual factors for all reflections included in the refinement: 0.2465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No