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Information card for entry 4324444
Preview
Coordinates | 4324444.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | aminoguanidinium 2-methyl-5-nitriminotetrazolate |
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Chemical name | aminoguanidinium 2-methyl-5-nitriminotetrazolate |
Formula | C3 H10 N10 O2 |
Calculated formula | C3 H10 N10 O2 |
SMILES | O=N([O-])=Nc1nnn(n1)C.NC(=[NH2+])NN |
Title of publication | N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities |
Authors of publication | Tobias Fendt; Niko Fischer; Thomas M. Klapötke; Jörg Stierstorfer |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 1447 - 1458 |
a | 3.7828 ± 0.0004 Å |
b | 8.5095 ± 0.0008 Å |
c | 14.1651 ± 0.0014 Å |
α | 91.281 ± 0.008° |
β | 95.299 ± 0.008° |
γ | 96.743 ± 0.008° |
Cell volume | 450.63 ± 0.08 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 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 | 0.0581 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0668 |
Weighted residual factors for all reflections included in the refinement | 0.071 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.828 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4324444.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324444.cif |
41152 | 2012-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4324444 via cif-deposit CGI script. |
4324444.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.