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Information card for entry 7064061
Preview
| Coordinates | 7064061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H27 F18 K3 N6 |
|---|---|
| Calculated formula | C45 H27 F18 K3 N6 |
| 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 | 11.451 ± 0.002 Å |
| b | 13.177 ± 0.003 Å |
| c | 16.255 ± 0.003 Å |
| α | 95.34 ± 0.03° |
| β | 109.99 ± 0.03° |
| γ | 92.97 ± 0.03° |
| Cell volume | 2285.8 ± 0.9 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1327 |
| Residual factor for significantly intense reflections | 0.0933 |
| Weighted residual factors for significantly intense reflections | 0.259 |
| Weighted residual factors for all reflections included in the refinement | 0.2949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| 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. |
7064061.cif |
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Users of the data should acknowledge the original authors of the
structural data.