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Information card for entry 7202386
Preview
| Coordinates | 7202386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 5,5-Bis(2-methyltetrazolyl)methylamine |
|---|---|
| Chemical name | 5,5-Bis(2-methyltetrazolyl)methylamine |
| Formula | C5 H9 N9 |
| Calculated formula | C5 H9 N9 |
| SMILES | c1(N(C)c2nn(C)nn2)nnn(C)n1 |
| Title of publication | Bistetrazolylamines—synthesis and characterization |
| Authors of publication | Klapötke, Thomas M.; Mayer, Peter; Stierstorfer, Jörg; Weigand, Jan J. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2008 |
| Journal volume | 18 |
| Journal issue | 43 |
| Pages of publication | 5248 |
| a | 3.852 ± 0.0012 Å |
| b | 19.395 ± 0.005 Å |
| c | 5.769 ± 0.0018 Å |
| α | 90° |
| β | 95.6 ± 0.03° |
| γ | 90° |
| Cell volume | 428.9 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 3 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0714 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.1353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7202386.cif |
| 180354 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/23. |
7202386.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202386.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202386.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7202386.cif |
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Users of the data should acknowledge the original authors of the
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