Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7064062
Preview
| Coordinates | 7064062.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C174 H168 Ba19 F80 N18 O24 |
|---|---|
| Calculated formula | C174 H168 Ba19 F80 N18 O24 |
| Title of publication | New examples of -C-F-Ae (Ae = Alkaline earth) and -C-F-K bonding |
| Authors of publication | Werner, Daniel; Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter Courtney |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 35.146 ± 0.005 Å |
| b | 35.146 ± 0.005 Å |
| c | 21.634 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 23143 ± 6 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0722 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302907 (current) | 2025-10-16 | cif/ Adding structures of 7064055, 7064056, 7064057, 7064058, 7064059, 7064060, 7064061, 7064062 via cif-deposit CGI script. |
7064062.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.