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Information card for entry 7130477
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Coordinates | 7130477.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | DDH |
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Chemical name | 3,4-diaminofurazan-3,4-dinitro-1H-pyrazole-hydrate |
Formula | C5 H8 N8 O6 |
Calculated formula | C5 H8 N8 O6 |
Title of publication | Peroxosolvate discovery method leads to first cocrystal with three energetic components. |
Authors of publication | Bellas, Michael K.; Matzger, Adam J. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2022 |
Journal volume | 58 |
Journal issue | 63 |
Pages of publication | 8806 - 8809 |
a | 5.36177 ± 0.00004 Å |
b | 8.07141 ± 0.00005 Å |
c | 25.18846 ± 0.00016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1090.08 ± 0.013 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0323 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0897 |
Weighted residual factors for all reflections included in the refinement | 0.0904 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7130477.html
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