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Information card for entry 7035499
Preview
| Coordinates | 7035499.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H12 Cl3 N3 Zn |
|---|---|
| Calculated formula | C13 H12 Cl3 N3 Zn |
| SMILES | [Zn](Cl)(Cl)(Cl)[n]1c(c2n(cc3[n+]2cccc3)C)cccc1 |
| Title of publication | Hybrid organic-inorganic chlorozincate and a molecular zinc complex involving the in situ formed imidazo[1,5-a]pyridinium cation: serendipitous oxidative cyclization, structures and photophysical properties. |
| Authors of publication | Buvaylo, Elena A.; Kokozay, Vladimir N.; Linnik, Rostyslav P.; Vassilyeva, Olga Yu; Skelton, Brian W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 30 |
| Pages of publication | 13735 - 13744 |
| a | 30.9572 ± 0.0009 Å |
| b | 7.6276 ± 0.0002 Å |
| c | 14.5488 ± 0.0005 Å |
| α | 90° |
| β | 116.203 ± 0.004° |
| γ | 90° |
| Cell volume | 3082.36 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0302 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0594 |
| Weighted residual factors for all reflections included in the refinement | 0.0615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035499.cif |
| 153135 | 2015-08-08 | cif/ Updating files of 7035498, 7035499, 7035500 Original log message: Adding full bibliography for 7035498--7035500.cif. |
7035499.cif |
| 139497 | 2015-06-23 | cif/ Adding structures of 7035498, 7035499, 7035500 via cif-deposit CGI script. |
7035499.cif |
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Users of the data should acknowledge the original authors of the
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