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Information card for entry 2237579
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| Coordinates | 2237579.cif |
|---|---|
| Structure factors | 2237579.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(azido-κ<i>N</i>)bis[4-(dimethylamino)pyridine-κ<i>N</i>]zinc |
|---|---|
| Formula | C14 H20 N10 Zn |
| Calculated formula | C14 H20 N10 Zn |
| SMILES | [Zn]([n]1ccc(N(C)C)cc1)([n]1ccc(N(C)C)cc1)(N=N#N)N=N#N |
| Title of publication | Bis(azido-κ<i>N</i>)bis[4-(dimethylamino)pyridine-κ<i>N</i>]zinc |
| Authors of publication | Guenifa, Fatiha; Hadjadj, Nasreddine; Zeghouan, Ouahida; Bendjeddou, Lamia; Merazig, Hocine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | m169 |
| a | 14.819 ± 0.005 Å |
| b | 9.61 ± 0.005 Å |
| c | 14.555 ± 0.005 Å |
| α | 90° |
| β | 118.158 ± 0.005° |
| γ | 90° |
| Cell volume | 1827.5 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0483 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2237579.cif 2237579.hkl |
| 181297 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/75. |
2237579.cif 2237579.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237579.cif 2237579.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237579.cif 2237579.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237579.cif 2237579.hkl |
| 78884 | 2013-04-02 | cif/ Adding structures of 2237579 via cif-deposit CGI script. |
2237579.cif |
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Users of the data should acknowledge the original authors of the
structural data.