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Information card for entry 7047924
Preview
Coordinates | 7047924.cif |
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Original paper (by DOI) | HTML |
Formula | C5 H8 N12 O5 |
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Calculated formula | C5 H8 N12 O5 |
Title of publication | Asymmetric nitrogen-rich energetic materials resulting from the combination of tetrazolyl, dinitromethyl and (1,2,4-oxadiazol-5-yl)nitroamino groups with furoxan. |
Authors of publication | Liu, Yingle; He, Chunlin; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 46 |
Pages of publication | 16558 - 16566 |
a | 7.122 ± 0.0007 Å |
b | 7.5186 ± 0.0009 Å |
c | 12.6185 ± 0.0017 Å |
α | 76.121 ± 0.006° |
β | 74.829 ± 0.006° |
γ | 67.346 ± 0.005° |
Cell volume | 594.44 ± 0.12 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0917 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.0928 |
Weighted residual factors for all reflections included in the refinement | 0.1124 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7047924.html
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Users of the data should acknowledge the original authors of the
structural data.