Information card for entry 7244367

Structure parameters

• Formula: C16 H2.88 F5.12 O8 Zn2
• Calculated formula: C16 H2.884 F5.116 O8 Zn2
• 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: 13.8857 ± 0.0007 Å
• b: 4.7775 ± 0.0001 Å
• c: 25.5982 ± 0.0008 Å
• α: 90°
• β: 100.241 ± 0.004°
• γ: 90°
• Cell volume: 1671.1 ± 0.11 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No