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Information card for entry 7062133
Preview
| Coordinates | 7062133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H26 Cl2 Fe N10 O8 |
|---|---|
| Calculated formula | C36 H26 Cl2 Fe N10 O8 |
| SMILES | [Fe]1234([n]5c([nH]c6c5cccc6)c5[n]1c(N=[N]3c1ccccc1)ccc5)[n]1c3c([nH]c1c1[n]4c(N=[N]2c2ccccc2)ccc1)cccc3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Pyridyl-benzimidazole derivatives decorated with phenylazo substituents and their low-spin iron(ii) complexes: a study of the synthesis, structure and photoisomerization |
| Authors of publication | Orvoš, Jakub; Fischer, Róbert; Brachňaková, Barbora; Pavlik, Ján; Moncoľ, Ján; Šagátová, Alexandra; Fronc, Marek; Kožíšek, Jozef; Routaboul, Lucie; Bousseksou, Azzedine; Šalitroš, Ivan |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2023 |
| Journal volume | 47 |
| Journal issue | 3 |
| Pages of publication | 1488 - 1497 |
| a | 13.2329 ± 0.0001 Å |
| b | 16.5051 ± 0.0001 Å |
| c | 17.5087 ± 0.0001 Å |
| α | 90° |
| β | 92.72 ± 0.001° |
| γ | 90° |
| Cell volume | 3819.77 ± 0.04 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.0481 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1349 |
| Weighted residual factors for all reflections included in the refinement | 0.1358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281543 (current) | 2023-03-04 | cif/ Updating files of 7062127, 7062128, 7062129, 7062130, 7062131, 7062132, 7062133 Original log message: Adding full bibliography for 7062127--7062133.cif. |
7062133.cif |
| 279715 | 2022-12-06 | cif/ Adding structures of 7062127, 7062128, 7062129, 7062130, 7062131, 7062132, 7062133 via cif-deposit CGI script. |
7062133.cif |
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