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Information card for entry 4001173
Preview
Coordinates | 4001173.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | azidoformamidinium 1-methyl-5-nitriminotetrazolate |
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Chemical name | azidoformamidinium 1-methyl-5-nitriminotetrazolate |
Formula | C3 H7 N11 O2 |
Calculated formula | C3 H7 N11 O2 |
SMILES | O=N([O-])=Nc1n(nnn1)C.N(=N#N)C(=[NH2+])N |
Title of publication | Nitrogen-Rich Salts of 1-Methyl-5-nitriminotetrazolate: An Auspicious Class of Thermally Stable Energetic Materials |
Authors of publication | Klapötke, Thomas M.; Stierstorfer, Jörg; Wallek, Andreas U. |
Journal of publication | Chemistry of Materials |
Year of publication | 2008 |
Journal volume | 20 |
Journal issue | 13 |
Pages of publication | 4519 |
a | 7.941 ± 0.0002 Å |
b | 6.7131 ± 0.0001 Å |
c | 17.7867 ± 0.0003 Å |
α | 90° |
β | 95.269 ± 0.002° |
γ | 90° |
Cell volume | 944.18 ± 0.03 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 200 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 | 0.039 |
Residual factor for significantly intense reflections | 0.0298 |
Weighted residual factors for significantly intense reflections | 0.0676 |
Weighted residual factors for all reflections included in the refinement | 0.0735 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4001173.html
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