Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566994
Preview
| Coordinates | 1566994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275492 (current) | 2022-05-18 | cif/ Adding structures of 1566993, 1566994 via cif-deposit CGI script. |
1566994.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.