Information card for entry 4128175

Structure parameters

• Formula: C88 H44 O36 S2 Zr6
• Calculated formula: C88 H44 O36 S2 Zr6
• Title of publication: Zirconium-Based Metal-Organic Frameworks for the Removal of Protein-Bound Uremic Toxin from Human Serum Albumin.
• Authors of publication: Kato, Satoshi; Otake, Ken-Ichi; Chen, Haoyuan; Akpinar, Isil; Buru, Cassandra T.; Islamoglu, Timur; Snurr, Randall Q.; Farha, Omar K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 6
• Pages of publication: 2568 - 2576
• a: 39.403 ± 0.006 Å
• b: 39.403 ± 0.006 Å
• c: 16.379 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22023 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.1503
• Residual factor for significantly intense reflections: 0.1162
• Weighted residual factors for significantly intense reflections: 0.32
• Weighted residual factors for all reflections included in the refinement: 0.3451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No