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Information card for entry 4103806
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Coordinates | 4103806.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | aminoguanidinium 5-azidotetrazolate |
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Chemical name | aminoguanidinium 5-azidotetrazolate |
Formula | C2 H7 N11 |
Calculated formula | C2 H7 N11 |
SMILES | NNC(=[NH2+])N.[n-]1nc(nn1)N=N#N |
Title of publication | The CN~7~^-^ anion |
Authors of publication | Klapötke, Thomas M.; Stierstorfer, Jörg |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Journal issue | 3 |
Pages of publication | 1122 - 1134 |
a | 9.7652 ± 0.0008 Å |
b | 9.7803 ± 0.0009 Å |
c | 10.0434 ± 0.0009 Å |
α | 71.327 ± 0.008° |
β | 74.399 ± 0.007° |
γ | 63.962 ± 0.009° |
Cell volume | 807.15 ± 0.14 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.106 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.0931 |
Weighted residual factors for all reflections included in the refinement | 0.1154 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.925 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4103806.html
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