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Information card for entry 7714215
Preview
| Coordinates | 7714215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H13 F6 N P Re |
|---|---|
| Calculated formula | C12 H13.002 F6 N P Re |
| Title of publication | In vivo and in vitro studies of [M(η6-pseudoerlotinib)2]+ sandwich complexes (M = Re, 99mTc) |
| Authors of publication | Battistin, Federica; Fernandes, Célia; Raposinho, Paula D.; Blacque, Olivier; Paulo, António Rocha; Alberto, Roger |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 8.0918 ± 0.0001 Å |
| b | 12.2476 ± 0.0002 Å |
| c | 7.0155 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 695.272 ± 0.017 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 71 |
| Hermann-Mauguin space group symbol | I m m m |
| Hall space group symbol | -I 2 2 |
| Residual factor for all reflections | 0.0162 |
| Residual factor for significantly intense reflections | 0.0162 |
| Weighted residual factors for significantly intense reflections | 0.0396 |
| Weighted residual factors for all reflections included in the refinement | 0.0396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286947 (current) | 2023-10-13 | cif/ Adding structures of 7714215, 7714216, 7714217 via cif-deposit CGI script. |
7714215.cif |
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Users of the data should acknowledge the original authors of the
structural data.