Information card for entry 7244366

Structure parameters

• Formula: C16 H14 F4 N0.5 O8 Zn
• Calculated formula: C14 H18 F4 N2 O8 Zn
• Title of publication: Unusual ligand substitution of a metal-organic framework with distorted metal–ligand coordination
• Authors of publication: Sakamoto, Hikaru; Ito, Akitaka; Ohtani, Masataka
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 5.2395 ± 0.0003 Å
• b: 10.1581 ± 0.0005 Å
• c: 16.8889 ± 0.0011 Å
• α: 90°
• β: 95.568 ± 0.005°
• γ: 90°
• Cell volume: 894.64 ± 0.09 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No