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Information card for entry 8105682
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Coordinates | 8105682.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3-amino-(2,4-dioxopent-3-yl)-4,5-dihydro-1,2,4-triazinium nitrate |
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Formula | C8 H13 N5 O5 |
Calculated formula | C8 H13 N5 O5 |
Title of publication | The crystal structure of 3-amino-(2,4-dioxopent-3-yl)-4,5-dihydro-1,2,4-triazinium nitrate, C8H13N5O5 |
Authors of publication | Kloda, Matouš; Matulková, Irena; Císařová, Ivana; Němec, Ivan |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2019 |
Journal volume | 234 |
Journal issue | 3 |
Pages of publication | 461 - 463 |
a | 9.1462 ± 0.0004 Å |
b | 9.9732 ± 0.0005 Å |
c | 13.5252 ± 0.0006 Å |
α | 90.098 ± 0.002° |
β | 91.031 ± 0.002° |
γ | 109.874 ± 0.002° |
Cell volume | 1160.02 ± 0.09 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0475 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.0972 |
Weighted residual factors for all reflections included in the refinement | 0.1015 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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