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Information card for entry 7052652
Preview
Coordinates | 7052652.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H8 N4 O3 |
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Calculated formula | C6 H8 N4 O3 |
SMILES | O=N(=O)[O-].n1(c[n+](cc1)C)CC#N |
Title of publication | Synthesis of N-cyanoalkyl-functionalized imidazolium nitrate and dicyanamide ionic liquids with a comparison of their thermal properties for energetic applications |
Authors of publication | Drab, David M.; Smiglak, Marcin; Shamshina, Julia L.; Kelley, Steven P.; Schneider, Stefan; Hawkins, Tommy W.; Rogers, Robin D. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 8 |
Pages of publication | 1701 |
a | 8.7192 ± 0.0013 Å |
b | 9.8611 ± 0.0014 Å |
c | 11.1363 ± 0.0016 Å |
α | 93.588 ± 0.003° |
β | 108.321 ± 0.002° |
γ | 112.598 ± 0.002° |
Cell volume | 820.6 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0648 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.1594 |
Weighted residual factors for all reflections included in the refinement | 0.1742 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.769 |
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/7052652.html
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