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Information card for entry 7062491
Preview
| Coordinates | 7062491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H15 Cl N2 O Pd S |
|---|---|
| Calculated formula | C21 H15 Cl N2 O Pd S |
| SMILES | [Pd]12([N](c3c(c4sc5c([n]24)cccc5)cccc3)=Cc2cc(ccc2O1)C)Cl |
| Title of publication | Novel Pd(ii) pincer complexes bearing salicylaldimine-based benzothiazole derivatives: synthesis, structural characterization, DNA/BSA binding, and biological evaluation |
| Authors of publication | Wongsuwan, Sutthida; Chatwichien, Jaruwan; Sirisaksoontorn, Weekit; Chainok, Kittipong; Songsasen, Apisit; Chotima, Ratanon |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2023 |
| Journal volume | 47 |
| Journal issue | 22 |
| Pages of publication | 10624 - 10637 |
| a | 13.096 ± 0.001 Å |
| b | 10.9779 ± 0.0009 Å |
| c | 25.673 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3690.9 ± 0.5 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0698 |
| Residual factor for significantly intense reflections | 0.0654 |
| Weighted residual factors for significantly intense reflections | 0.1695 |
| Weighted residual factors for all reflections included in the refinement | 0.1721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298703 (current) | 2025-04-03 | cif/7: Fixing Z values and formulae |
7062491.cif |
| 284937 | 2023-07-05 | cif/ Updating files of 7062488, 7062489, 7062490, 7062491, 7062492, 7062493 Original log message: Adding full bibliography for 7062488--7062493.cif. |
7062491.cif |
| 283886 | 2023-05-19 | cif/ Adding structures of 7062488, 7062489, 7062490, 7062491, 7062492, 7062493 via cif-deposit CGI script. |
7062491.cif |
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Users of the data should acknowledge the original authors of the
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