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Information card for entry 4342353
Preview
| Coordinates | 4342353.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H20 N22 O4 Zn |
|---|---|
| Calculated formula | C4 H20 N22 O4 Zn |
| SMILES | [Zn]12([OH2])(n3nnnc3Nc3nnnn13)n1nnnc1Nc1nnnn21.N[NH3+].N[NH3+].O.O.O |
| Title of publication | Nitrogen-Rich Salts Based on the Energetic [Monoaquabis(N,N-bis(1H-tetrazol-5-yl)amine)-zinc(II)] Anion: A Promising Design in the Development of New Energetic Materials. |
| Authors of publication | Li, Fugang; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai; Zhou, Zunning; Yang, Li |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 2050 - 2057 |
| a | 6.6079 ± 0.001 Å |
| b | 11.795 ± 0.002 Å |
| c | 12.573 ± 0.002 Å |
| α | 93.731 ± 0.008° |
| β | 98 ± 0.005° |
| γ | 106.2 ± 0.005° |
| Cell volume | 926.3 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
4342353.cif |
| 179526 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/23. |
4342353.cif |
| 132822 | 2015-03-04 | cif/ Updating files of 4342353, 4342354, 4342355, 4342356, 4342357 Original log message: Adding full bibliography for 4342353--4342357.cif. |
4342353.cif |
| 131204 | 2015-02-06 | cif/ Adding structures of 4342353, 4342354, 4342355, 4342356, 4342357 via cif-deposit CGI script. |
4342353.cif |
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Users of the data should acknowledge the original authors of the
structural data.