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Information card for entry 4001176
Preview
Coordinates | 4001176.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | guanidinium 1-methyl-5-nitriminotetrazolate |
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Chemical name | guanidinium 1-methyl-5-nitriminotetrazolate |
Formula | C3 H9 N9 O2 |
Calculated formula | C3 H9 N9 O2 |
SMILES | O=N([O-])=Nc1n(nnn1)C.NC(=[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 | 21.2356 ± 0.0008 Å |
b | 6.8969 ± 0.0002 Å |
c | 12.1761 ± 0.0004 Å |
α | 90° |
β | 102.457 ± 0.002° |
γ | 90° |
Cell volume | 1741.33 ± 0.1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0578 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1311 |
Weighted residual factors for all reflections included in the refinement | 0.1359 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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