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Information card for entry 1566993
Preview
| Coordinates | 1566993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275492 (current) | 2022-05-18 | cif/ Adding structures of 1566993, 1566994 via cif-deposit CGI script. |
1566993.cif |
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