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Information card for entry 7207301
Preview
| Coordinates | 7207301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H5 N9 O2 |
|---|---|
| Calculated formula | C3 H5 N9 O2 |
| Title of publication | Energetic salts based on 1-amino-1,2,3-triazole and 3-methyl-1-amino-1,2,3-triazole |
| Authors of publication | Lin, Qiu-Han; Li, Yu-Chuan; Li, Ya-Yu; Wang, Zhu; Liu, Wei; Qi, Cai; Pang, Si-Ping |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 2 |
| Pages of publication | 666 |
| a | 15.592 ± 0.004 Å |
| b | 10.246 ± 0.002 Å |
| c | 9.813 ± 0.002 Å |
| α | 90° |
| β | 90.405 ± 0.004° |
| γ | 90° |
| Cell volume | 1567.6 ± 0.6 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0636 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1374 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7207301.cif |
| 180404 | 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 7/20/73. |
7207301.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207301.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7207301.cif |
| 33510 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7207299, 7207300, 7207301 via cif-deposit CGI script. |
7207301.cif |
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Users of the data should acknowledge the original authors of the
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