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Information card for entry 7060272
Preview
| Coordinates | 7060272.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H6 N4 O4 |
|---|---|
| Calculated formula | C3 H6 N4 O4 |
| Title of publication | Methyl sydnone imine and its energetic salts |
| Authors of publication | Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2021 |
| Journal volume | 45 |
| Journal issue | 4 |
| Pages of publication | 2228 - 2236 |
| a | 5.7481 ± 0.0006 Å |
| b | 5.842 ± 0.0007 Å |
| c | 9.9504 ± 0.0011 Å |
| α | 90° |
| β | 91.39 ± 0.005° |
| γ | 90° |
| Cell volume | 334.04 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261737 (current) | 2021-02-05 | cif/ Updating files of 7060272, 7060273, 7060274, 7060275, 7060276, 7060277, 7060278 Original log message: Adding full bibliography for 7060272--7060278.cif. |
7060272.cif |
| 260971 | 2021-01-15 | cif/ Adding structures of 7060272, 7060273, 7060274, 7060275, 7060276, 7060277, 7060278 via cif-deposit CGI script. |
7060272.cif |
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Users of the data should acknowledge the original authors of the
structural data.