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Information card for entry 7220784
Preview
| Coordinates | 7220784.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [C1mim]NAT |
|---|---|
| Formula | C5 H10 N9 O2 |
| Calculated formula | C5 H10 N9 O2 |
| SMILES | O=N([O-])=Nc1nnn[nH]1.n1(c[n+](cc1)C)C |
| Title of publication | Insensitive Energetic 5-Nitroaminotetrazolate Ionic Liquids |
| Authors of publication | Gao, Yi-Fei; Zhang, Lei; He, Ling; Zhao, Ying; Tang, Ning; Yuan, Wen-Li; Tao, Guo-Hong |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 7.3986 ± 0.0004 Å |
| b | 10.6152 ± 0.0006 Å |
| c | 24.7372 ± 0.0014 Å |
| α | 89.262 ± 0.005° |
| β | 85.726 ± 0.005° |
| γ | 79.991 ± 0.005° |
| Cell volume | 1907.91 ± 0.19 Å3 |
| Cell temperature | 143 ± 0.1 K |
| Ambient diffraction temperature | 143 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0817 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1207 |
| Weighted residual factors for all reflections included in the refinement | 0.152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206489 (current) | 2018-02-18 | cif/7 Fixing some Z values and formulae |
7220784.cif |
| 139286 | 2015-06-17 | cif/ Adding structures of 7220784 via cif-deposit CGI script. |
7220784.cif |
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Users of the data should acknowledge the original authors of the
structural data.