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Information card for entry 7225590
Preview
Coordinates | 7225590.cif |
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Original paper (by DOI) | HTML |
Formula | C3 H8 N10 O5 |
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Calculated formula | C3 H8 N10 O5 |
SMILES | o1nc(N=N([O-])=O)c(n1)c1[n-]nnn1.O[NH3+].O[NH3+] |
Title of publication | Thermally Stable Energetic Salts Based on 3-Nitramino-4-tetrazole-furazan |
Authors of publication | Huang, Haifeng; Shi, Yameng; Li, Ying; Liu, Yanfang; Yang, Jun |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 7.13 ± 0.0012 Å |
b | 8.1314 ± 0.0014 Å |
c | 9.0571 ± 0.0015 Å |
α | 83.381 ± 0.003° |
β | 71.653 ± 0.003° |
γ | 72.486 ± 0.003° |
Cell volume | 475.18 ± 0.14 Å3 |
Cell temperature | 130 K |
Ambient diffraction temperature | 130 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0449 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0978 |
Weighted residual factors for all reflections included in the refinement | 0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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183709 (current) | 2016-06-18 | cif/ Adding structures of 7225590 via cif-deposit CGI script. |
7225590.cif |
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Users of the data should acknowledge the original authors of the
structural data.