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Information card for entry 7064058
Preview
| Coordinates | 7064058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H28 F12 K2 N4 O2 |
|---|---|
| Calculated formula | C34 H28 F12 K2 N4 O2 |
| 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 | 15.5521 ± 0.0007 Å |
| b | 14.9796 ± 0.0007 Å |
| c | 15.7547 ± 0.0008 Å |
| α | 90° |
| β | 96.394 ± 0.001° |
| γ | 90° |
| Cell volume | 3647.5 ± 0.3 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 6 |
| 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 | 0.054 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7064058.cif |
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Users of the data should acknowledge the original authors of the
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