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Information card for entry 7045840
Preview
| Coordinates | 7045840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H28 F6 N5 O4 P Pd S Se |
|---|---|
| Calculated formula | C26 H28 F6 N5 O4 P Pd S Se |
| Title of publication | Anti-tumour active gold(i), palladium(ii) and ruthenium(ii) complexes with thio- and selenoureato ligands: a comparative study. |
| Authors of publication | Molter, Anja; Kathrein, Stefanie; Kircher, Brigitte; Mohr, Fabian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 14 |
| Pages of publication | 5055 - 5064 |
| a | 10.1126 ± 0.0005 Å |
| b | 11.5124 ± 0.0007 Å |
| c | 13.5558 ± 0.0007 Å |
| α | 75.08 ± 0.005° |
| β | 87.191 ± 0.004° |
| γ | 78.718 ± 0.005° |
| Cell volume | 1495.49 ± 0.15 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0343 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0565 |
| Weighted residual factors for all reflections included in the refinement | 0.0579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7045840.cif |
| 229777 | 2019-11-17 | cif/ Updating files of 7045840, 7045841, 7045842, 7045843, 7045844 Original log message: Adding full bibliography for 7045840--7045844.cif. |
7045840.cif |
| 206919 | 2018-03-13 | cif/ Adding structures of 7045840, 7045841, 7045842, 7045843, 7045844 via cif-deposit CGI script. |
7045840.cif |
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Users of the data should acknowledge the original authors of the
structural data.