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Information card for entry 7021924
Preview
| Coordinates | 7021924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H19 Br N4 |
|---|---|
| Calculated formula | C22 H19 Br N4 |
| SMILES | [Br-].N(=Nc1ccc(n2c[n+](Cc3ccccc3)cc2)cc1)c1ccccc1 |
| Title of publication | Azobenzene-functionalized N-heterocyclic carbenes as photochromic ligands in silver(i) and gold(i) complexes. |
| Authors of publication | Kaiser, Manuel; Leitner, Sebastian P.; Hirtenlehner, Christa; List, Manuela; Gerisch, Alexander; Monkowius, Uwe |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 41 |
| Pages of publication | 14749 - 14756 |
| a | 14.5077 ± 0.0015 Å |
| b | 9.0862 ± 0.0008 Å |
| c | 15.0053 ± 0.0015 Å |
| α | 90° |
| β | 90.935 ± 0.004° |
| γ | 90° |
| Cell volume | 1977.7 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0459 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.0789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7021924.cif |
| 179924 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/19. |
7021924.cif |
| 88876 | 2013-10-09 | cif/ Adding structures of 7021923, 7021924, 7021925, 7021926 via cif-deposit CGI script. |
7021924.cif |
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Users of the data should acknowledge the original authors of the
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