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Information card for entry 1567752
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Coordinates | 1567752.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | ammonium dinitramide urea cocrystal |
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Chemical name | ammonium dinitramide urea cocrystal |
Formula | C2 H12 N8 O6 |
Calculated formula | C2 H12 N8 O6 |
Title of publication | Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt |
Authors of publication | Bellas, Michael K.; Matzger, Adam J. |
Journal of publication | Chemical Science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 41 |
Pages of publication | 12100 - 12106 |
a | 14.7309 ± 0.0005 Å |
b | 3.59237 ± 0.00011 Å |
c | 20.2453 ± 0.0007 Å |
α | 90° |
β | 108.791 ± 0.004° |
γ | 90° |
Cell volume | 1014.25 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0417 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.1109 |
Weighted residual factors for all reflections included in the refinement | 0.1131 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
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/1567752.html
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