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Information card for entry 7035500
Preview
| Coordinates | 7035500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 Cl N3 O1.5 |
|---|---|
| Calculated formula | C13 H15 Cl N3 O1.5 |
| SMILES | c1n(C)c([n+]2ccccc12)c1ncccc1.[Cl-].O.O |
| 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 | 7.3552 ± 0.0005 Å |
| b | 10.0184 ± 0.0006 Å |
| c | 18.5955 ± 0.001 Å |
| α | 90.392 ± 0.004° |
| β | 92.574 ± 0.005° |
| γ | 107.298 ± 0.005° |
| Cell volume | 1306.66 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0689 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.1161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7035500.cif |
| 153135 | 2015-08-08 | cif/ Updating files of 7035498, 7035499, 7035500 Original log message: Adding full bibliography for 7035498--7035500.cif. |
7035500.cif |
| 139497 | 2015-06-23 | cif/ Adding structures of 7035498, 7035499, 7035500 via cif-deposit CGI script. |
7035500.cif |
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Users of the data should acknowledge the original authors of the
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