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Information card for entry 7708471
Preview
| Coordinates | 7708471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,2-chloromethyl-5,5-bitetrazole |
|---|---|
| Chemical name | 2,2-chloromethyl-5,5-bitetrazole |
| Formula | C4 H4 Cl2 N8 |
| Calculated formula | C4 H4 Cl2 N8 |
| Title of publication | N-Functionalisation of 5,5′-bistetrazole providing 2,2′-di(azidomethyl)bistetrazole: a melt-castable metal-free green primary explosive |
| Authors of publication | Klapötke, Thomas M.; Kofen, Moritz; Stierstorfer, Jörg |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 8.3693 ± 0.0004 Å |
| b | 8.2279 ± 0.0004 Å |
| c | 6.7862 ± 0.0003 Å |
| α | 90° |
| β | 108.194 ± 0.002° |
| γ | 90° |
| Cell volume | 443.95 ± 0.04 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0622 |
| Weighted residual factors for all reflections included in the refinement | 0.0683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269383 (current) | 2021-09-30 | cif/ Adding structures of 7708468, 7708469, 7708470, 7708471 via cif-deposit CGI script. |
7708471.cif |
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