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Information card for entry 7053021
Preview
| Coordinates | 7053021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C4 H16 Co N11 O3 |
|---|---|
| Calculated formula | C4 H16 Co N11 O3 |
| SMILES | C1C[NH2][Co]2([NH2]1)(N=N#N)([NH2]CC[NH2]2)N=N#N.N(=O)(=O)[O-] |
| Title of publication | Preparation, crystal structures, thermal decompositions and explosive properties of two new high-nitrogen azide ethylenediamine energetic compounds |
| Authors of publication | Wu, Bi-Dong; Zhou, Zun-Ning; Li, Fu-Gang; Yang, Li; Zhang, Tong-Lai; Zhang, Jian-Guo |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2013 |
| Journal volume | 37 |
| Journal issue | 3 |
| Pages of publication | 646 |
| a | 13.671 ± 0.004 Å |
| b | 9.447 ± 0.002 Å |
| c | 9.343 ± 0.003 Å |
| α | 90° |
| β | 100.349 ± 0.003° |
| γ | 90° |
| Cell volume | 1187 ± 0.6 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 | 0.0325 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0748 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7053021.cif |
| 198632 | 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. |
7053021.cif |
| 180084 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30. |
7053021.cif |
| 75565 | 2013-03-10 | cif/ Adding structures of 7053020, 7053021 via cif-deposit CGI script. |
7053021.cif |
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Users of the data should acknowledge the original authors of the
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