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Information card for entry 7037852
Preview
| Coordinates | 7037852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H26 Mg N16 O14 |
|---|---|
| Calculated formula | C8 H26 Mg N16 O14 |
| SMILES | c1n(c([O-])nn1)/N=N/N1C(=O)NN=C1.[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.C1(=O)NN=CN1/N=N/n1c([O-])nnc1.O.O |
| Title of publication | Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials. |
| Authors of publication | Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 8 |
| Pages of publication | 3590 - 3598 |
| a | 19.528 ± 0.005 Å |
| b | 10.445 ± 0.003 Å |
| c | 12.557 ± 0.003 Å |
| α | 90° |
| β | 110.294 ± 0.002° |
| γ | 90° |
| Cell volume | 2402.3 ± 1.1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 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 | 0.0547 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.1014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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. |
7037852.cif |
| 177833 | 2016-03-05 | cif/ Updating files of 7037846, 7037847, 7037848, 7037849, 7037850, 7037851, 7037852, 7037853, 7037854 Original log message: Adding full bibliography for 7037846--7037854.cif. |
7037852.cif |
| 173546 | 2016-01-06 | cif/ Adding structures of 7037846, 7037847, 7037848, 7037849, 7037850, 7037851, 7037852, 7037853, 7037854 via cif-deposit CGI script. |
7037852.cif |
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Users of the data should acknowledge the original authors of the
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