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Information card for entry 7059730
Preview
| Coordinates | 7059730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 N3 O3 |
|---|---|
| Calculated formula | C24 H21 N3 O3 |
| SMILES | O(c1c(OC)c(OC)ccc1c1cc(nc(c1)c1ncccc1)c1ncccc1)C |
| Title of publication | Synthesis, crystal structures, photophysical, electrochemical studies, DFT and TD-DFT calculations and Hirshfeld analysis of new 2,2′:6′,2′′-terpyridine ligands with pendant 4′-(trimethoxyphenyl) groups and their homoleptic ruthenium complexes |
| Authors of publication | Ramesh, Golla; P., Raghavendra Kumar; Pillegowda, Manohar; Periyasamy, Ganga; Suchetan, P. A.; Butcher, R. J.; Foro, Sabine; Nagaraju, G. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 27 |
| Pages of publication | 11471 - 11489 |
| a | 7.5412 ± 0.0005 Å |
| b | 33.74 ± 0.003 Å |
| c | 7.9862 ± 0.0005 Å |
| α | 90° |
| β | 92.588 ± 0.007° |
| γ | 90° |
| Cell volume | 2029.9 ± 0.3 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0584 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257674 (current) | 2020-10-06 | cif/ Updating files of 7059727, 7059728, 7059729, 7059730 Original log message: Adding full bibliography for 7059727--7059730.cif. |
7059730.cif |
| 255053 | 2020-08-06 | cif/ Updating files of 7059727, 7059728, 7059729, 7059730 Original log message: Adding full bibliography for 7059727--7059730.cif. |
7059730.cif |
| 253469 | 2020-06-26 | cif/ Adding structures of 7059727, 7059728, 7059729, 7059730 via cif-deposit CGI script. |
7059730.cif |
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Users of the data should acknowledge the original authors of the
structural data.