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Information card for entry 7712013
Preview
| Coordinates | 7712013.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H10 N10 O2 S |
|---|---|
| Calculated formula | C7 H10 N10 O2 S |
| SMILES | S(=O)(C)C.o1nc(nc1N)c1nn2nnnc2nc1N |
| Title of publication | Facile synthesis of thermally stable tetrazolo[1,5-<i>b</i>][1,2,4]triazine substituted energetic materials: synthesis and characterization. |
| Authors of publication | Kumar, Parasar; Ghule, Vikas D.; Dharavath, Srinivas |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| Journal volume | 52 |
| Journal issue | 3 |
| Pages of publication | 747 - 753 |
| a | 5.4454 ± 0.0003 Å |
| b | 13.7553 ± 0.0007 Å |
| c | 16.708 ± 0.0009 Å |
| α | 100.096 ± 0.002° |
| β | 98.259 ± 0.002° |
| γ | 94.944 ± 0.002° |
| Cell volume | 1211.33 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.053 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283344 (current) | 2023-05-05 | cif/ Updating files of 7712010, 7712011, 7712012, 7712013 Original log message: Adding full bibliography for 7712010--7712013.cif. |
7712013.cif |
| 280026 | 2022-12-24 | cif/ Adding structures of 7712010, 7712011, 7712012, 7712013 via cif-deposit CGI script. |
7712013.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.