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Information card for entry 1508373
Preview
Coordinates | 1508373.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H15 N11 O8 |
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Calculated formula | C8 H15 N11 O8 |
SMILES | [O-]c1c(N(=O)=O)c([O-])c(N(=O)=O)cc1N(=O)=O.[NH2+]=C(N)NN.[NH2+]=C(N)NN |
Title of publication | Molecular and Crystal Structure of a New High Energy Density Material: Aminoguanidinium-styphnate, [H2NNHC(NH2)2]2[C6HO2(NO2)3] |
Authors of publication | Deblitz, Raik; Hrib, Cristian G.; Plenikowski, Georg; Edelmann, Frank T. |
Journal of publication | Crystals |
Year of publication | 2012 |
Journal volume | 2 |
Journal issue | 1 |
Pages of publication | 34 - 42 |
a | 6.7224 ± 0.0003 Å |
b | 10.7473 ± 0.0004 Å |
c | 11.9604 ± 0.0005 Å |
α | 113.212 ± 0.004° |
β | 90.579 ± 0.003° |
γ | 99.815 ± 0.003° |
Cell volume | 779.68 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0627 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.0964 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.862 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1508373.html
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Users of the data should acknowledge the original authors of the
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