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Information card for entry 4103601
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4103601.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | GNTX |
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Chemical name | guanidinium 5-nitro-2H-tetrazol-2-olate |
Formula | C2 H6 N8 O3 |
Calculated formula | C2 H6 N8 O3 |
SMILES | c1(nn(nn1)[O-])N(=O)=O.C(=[NH2+])(N)N |
Title of publication | Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction |
Authors of publication | Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 17216 - 17226 |
a | 6.061 ± 0.0008 Å |
b | 7.5528 ± 0.0009 Å |
c | 8.2886 ± 0.0009 Å |
α | 79.36 ± 0.01° |
β | 89.576 ± 0.01° |
γ | 85.918 ± 0.011° |
Cell volume | 371.96 ± 0.08 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 | 0.1166 |
Residual factor for significantly intense reflections | 0.076 |
Weighted residual factors for significantly intense reflections | 0.1943 |
Weighted residual factors for all reflections included in the refinement | 0.2089 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.906 |
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/4103601.html
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