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Information card for entry 7704743
Preview
| Coordinates | 7704743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H25 La N6 O8 |
|---|---|
| Calculated formula | C34 H25 La N6 O8 |
| SMILES | [La]12345(OC(=CC(=[O]1)c1ccccc1)C)(ON(=O)=[O]2)(ON(=O)=[O]3)([n]1cccc2c1c1[n]4cccc1cc2)[n]1c2c(ccc1)ccc1ccc[n]5c21 |
| Title of publication | Photo-physical, theoretical and photo-cytotoxic evaluation of a new class of lanthanide(iii)-curcumin/diketone complexes for PDT application. |
| Authors of publication | Musib, Dulal; Pal, Mrityunjoy; Raza, Md Kausar; Roy, Mithun |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 31 |
| Pages of publication | 10786 - 10798 |
| a | 11.4565 ± 0.0013 Å |
| b | 13.0847 ± 0.0015 Å |
| c | 21.324 ± 0.003 Å |
| α | 90° |
| β | 91.55 ± 0.004° |
| γ | 90° |
| Cell volume | 3195.4 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0751 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1718 |
| Weighted residual factors for all reflections included in the refinement | 0.1944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.4236 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7704743.cif |
| 256087 | 2020-09-06 | cif/ Updating files of 7704743 Original log message: Adding full bibliography for 7704743.cif. |
7704743.cif |
| 253648 | 2020-07-02 | cif/ Adding structures of 7704743 via cif-deposit CGI script. |
7704743.cif |
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Users of the data should acknowledge the original authors of the
structural data.