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Information card for entry 7202385
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| Coordinates | 7202385.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 5,5-Bis(1H-tetrazolyl)amine monoydrate dimethylsulfoxid |
|---|---|
| Chemical name | 5,5-Bis(1H-tetrazolyl)amine monoydrate dimethylsulfoxid |
| Formula | C4 H11 N9 O2 S |
| Calculated formula | C4 H11 N9 O2 S |
| SMILES | S(=O)(C)C.O.[nH]1nnnc1Nc1[nH]nnn1 |
| 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 | 15.933 ± 0.0014 Å |
| b | 6.8863 ± 0.0006 Å |
| c | 19.9204 ± 0.0015 Å |
| α | 90° |
| β | 104.227 ± 0.007° |
| γ | 90° |
| Cell volume | 2118.6 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1035 |
| Weighted residual factors for all reflections included in the refinement | 0.1067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7202385.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7202385.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202385.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202385.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. | 7202385.cif |
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