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Information card for entry 7705022
Preview
| Coordinates | 7705022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C49 H49 B Cu F4 N O7 P2 |
|---|---|
| Calculated formula | C49 H49 B Cu F4 N O7 P2 |
| SMILES | [Cu]1([P](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)([P](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[O]=C(c2[n]1cccc2)C.[B](F)(F)(F)[F-] |
| Title of publication | New copper(I) complexes selective for prostate cancer cells. |
| Authors of publication | Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 35 |
| Pages of publication | 12273 - 12286 |
| a | 11.3647 ± 0.0007 Å |
| b | 14.0498 ± 0.0009 Å |
| c | 16.4417 ± 0.001 Å |
| α | 104.108 ± 0.003° |
| β | 108.859 ± 0.003° |
| γ | 99.858 ± 0.003° |
| Cell volume | 2318.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0738 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1613 |
| Weighted residual factors for all reflections included in the refinement | 0.1766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| 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. |
7705022.cif |
| 257553 | 2020-10-06 | cif/ Updating files of 7705020, 7705021, 7705022, 7705023, 7705024 Original log message: Adding full bibliography for 7705020--7705024.cif. |
7705022.cif |
| 254826 | 2020-08-05 | cif/ Adding structures of 7705020, 7705021, 7705022, 7705023, 7705024 via cif-deposit CGI script. |
7705022.cif |
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Users of the data should acknowledge the original authors of the
structural data.