Information card for entry 1566994

Structure parameters

• Formula: C17 H13 B Cu F4 N2 O4
• Calculated formula: C17 H13 B Cu F4 N2 O4
• Title of publication: 3D vs. turbostratic: controlling metal–organic framework dimensionality via N-heterocyclic carbene chemistry
• Authors of publication: Kochetygov, Ilia; Justin, Anita; Asgari, Mehrdad; Yang, Shuliang; Karve, Vikram; Schertenleib, Till; Stoian, Dragos; Oveisi, Emad; Mensi, Mounir; Queen, Wendy L.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 14.932 ± 0.003 Å
• b: 31.562 ± 0.005 Å
• c: 14.861 ± 0.003 Å
• α: 90°
• β: 98.45 ± 0.006°
• γ: 90°
• Cell volume: 6928 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 7
• 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: 0.2099
• Residual factor for significantly intense reflections: 0.1261
• Weighted residual factors for significantly intense reflections: 0.3637
• Weighted residual factors for all reflections included in the refinement: 0.4251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.488
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No