Information card for entry 1566993

Structure parameters

• Formula: C19 H14 B Cu F4 N2 O5
• Calculated formula: C19 H19 B Cu F4 N2 O5
• 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: 6.6391 ± 0.0005 Å
• b: 33.5424 ± 0.0009 Å
• c: 11.4021 ± 0.0009 Å
• α: 90°
• β: 106.155 ± 0.008°
• γ: 90°
• Cell volume: 2438.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0882
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.226
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.6866 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No