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Information card for entry 7240838
Preview
| Coordinates | 7240838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 N24 O15 |
|---|---|
| Calculated formula | C12 N24 O15 |
| Title of publication | Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF ‒ a high-energy-density material |
| Authors of publication | Zelenov, Victor P.; Baraboshkin, Nikita M.; Khakimov, Dmitry V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Troyan, Ivan A.; Pivina, Tatyana S.; Dzyabchenko, Alexandr V.; Fedyanin, Ivan V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 21.326 ± 0.003 Å |
| b | 12.351 ± 0.002 Å |
| c | 19.529 ± 0.003 Å |
| α | 90° |
| β | 105.919 ± 0.003° |
| γ | 90° |
| Cell volume | 4946.6 ± 1.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254165 (current) | 2020-07-10 | cif/ Adding structures of 7240837, 7240838 via cif-deposit CGI script. |
7240838.cif |
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Users of the data should acknowledge the original authors of the
structural data.