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Information card for entry 7200616
Preview
| Coordinates | 7200616.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C3 H2 N6 O2 |
|---|---|
| Calculated formula | C3 H2 N6 O2 |
| SMILES | O=N(=O)c1nn(nn1)CC#N |
| Title of publication | Synthesis and properties of 5-nitrotetrazole derivatives as new energetic materials |
| Authors of publication | Klapötke, Thomas M.; Miró Sabaté, Carles; Rasp, Matthias |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2009 |
| Journal volume | 19 |
| Journal issue | 15 |
| Pages of publication | 2240 |
| a | 5.4521 ± 0.0003 Å |
| b | 6.147 ± 0.0003 Å |
| c | 17.4832 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 585.93 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0344 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0563 |
| Weighted residual factors for all reflections included in the refinement | 0.0622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282882 (current) | 2023-04-27 | cod/ (saulius@tasmanijos-velnias) Correcting DOIs and bibliographies in 30 COD entries that had wrong DOIs. The corrections were checked against the supplementary files downloaded manually today. All these structures have duplicates, alas. |
7200616.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7200616.cif |
| 180337 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/06. |
7200616.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200616.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200616.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200616.cif |
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Users of the data should acknowledge the original authors of the
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