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Information card for entry 7710482
Preview
| Coordinates | 7710482.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H11 N11 O2 |
|---|---|
| Calculated formula | C3 H11 N11 O2 |
| SMILES | c1(C(=O)NN)n([O-])nnn1.C(=[NH2+])(NN)NN |
| Title of publication | Nitrogen-rich ion salts of 1-hydroxytetrazole-5-hydrazide: a new series of high energy compounds that combine good stability and high energy performance |
| Authors of publication | Yang, Feng; Qin, Yaqi; Wang, Pengcheng; Lin, Qiuhan; Xu, Yuangang; Lu, Ming |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 8.3985 ± 0.0006 Å |
| b | 15.6955 ± 0.0012 Å |
| c | 7.4981 ± 0.0006 Å |
| α | 90° |
| β | 105.102 ± 0.003° |
| γ | 90° |
| Cell volume | 954.25 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0632 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1035 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276055 (current) | 2022-06-16 | cif/ Adding structures of 7710481, 7710482, 7710483, 7710484, 7710485 via cif-deposit CGI script. |
7710482.cif |
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Users of the data should acknowledge the original authors of the
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