Information card for entry 4132811

Structure parameters

• Formula: C44 H96 Cl4 O164 Zr36
• Calculated formula: C44 H74 Cl4 O180 Zr36
• Title of publication: Zirconium-Formate Macrocycles and Supercage: Molecular Packing versus MOF-like Network for Water Vapor Sorption.
• Authors of publication: Choi, Jong In; Chun, Hyungphil; Lah, Myoung Soo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 34
• Pages of publication: 10915 - 10920
• a: 34.835 ± 0.007 Å
• b: 43.607 ± 0.009 Å
• c: 15.766 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23949 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 42
• Hermann-Mauguin space group symbol: F m m 2
• Hall space group symbol: F 2 -2
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.65 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No