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Information card for entry 7712084
Preview
| Coordinates | 7712084.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | {1-[(2-chlorophenyl)-diphenyl-methyl]imidazole}1,10-phenanthroline fac-tricarbonyl rhenium(I) hexafluorophosphate |
|---|---|
| Formula | C37 H25 Cl F6 N4 O3 P Re |
| Calculated formula | C37 H25 Cl F6 N4 O3 P Re |
| SMILES | C(#[O])[Re]1(C#[O])(C#[O])([n]2ccn(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)[n]2cccc3ccc4ccc[n]1c4c23.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Multifunctional organometallic compounds for the treatment of Chagas disease: Re(I) tricarbonyl compounds with two different bioactive ligands. |
| Authors of publication | Soba, Mariano; Scalese, Gonzalo; Casuriaga, Federico; Pérez, Nicolás; Veiga, Nicolás; Echeverría, Gustavo A; Piro, Oscar E.; Faccio, Ricardo; Pérez-Díaz, Leticia; Gasser, Gilles; Machado, Ignacio; Gambino, Dinorah |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| Journal volume | 52 |
| Journal issue | 6 |
| Pages of publication | 1623 - 1641 |
| a | 19.2076 ± 0.0006 Å |
| b | 11.9631 ± 0.0003 Å |
| c | 32.4823 ± 0.0014 Å |
| α | 90° |
| β | 104.958 ± 0.004° |
| γ | 90° |
| Cell volume | 7211 ± 0.4 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0728 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283301 (current) | 2023-05-05 | cif/ Updating files of 7712084, 7712085 Original log message: Adding full bibliography for 7712084--7712085.cif. |
7712084.cif |
| 280271 | 2023-01-11 | cif/ Adding structures of 7712084, 7712085 via cif-deposit CGI script. |
7712084.cif |
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