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Information card for entry 7037851
Preview
Coordinates | 7037851.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H5 K N8 O8 |
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Calculated formula | C4 H5 K N8 O3 |
SMILES | [K+].O=C1NN=CN1N=Nn1c([O-])nnc1.O |
Title of publication | Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials. |
Authors of publication | Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 8 |
Pages of publication | 3590 - 3598 |
a | 14.345 ± 0.004 Å |
b | 10.332 ± 0.003 Å |
c | 12.6 ± 0.004 Å |
α | 90° |
β | 96.748 ± 0.003° |
γ | 90° |
Cell volume | 1854.5 ± 1 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0715 |
Residual factor for significantly intense reflections | 0.0545 |
Weighted residual factors for significantly intense reflections | 0.1269 |
Weighted residual factors for all reflections included in the refinement | 0.1374 |
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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