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Information card for entry 1574861
Preview
| Coordinates | 1574861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C116.654 H97.264 Ga8 N16.218 Nd2 O61.087 |
|---|---|
| Calculated formula | C116.648 H97.264 Ga8 N16.216 Nd2 O61.092 |
| Title of publication | Novel lanthanide(iii)/gallium(iii) metallacrowns with appended visible-absorbing organic sensitizers for molecular near-infrared imaging of living cells |
| Authors of publication | Lathion, Timothée; Bourseguin, Julie; Eliseeva, Svetlana V.; Zeller, Matthias; Petoud, Stéphane; Pecoraro, Vincent L. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 25.4801 ± 0.0015 Å |
| b | 23.6113 ± 0.0015 Å |
| c | 20.8659 ± 0.0015 Å |
| α | 90° |
| β | 127.581 ± 0.004° |
| γ | 90° |
| Cell volume | 9948.4 ± 1.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0636 |
| Weighted residual factors for significantly intense reflections | 0.1821 |
| Weighted residual factors for all reflections included in the refinement | 0.1958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300060 (current) | 2025-06-13 | cif/ Adding structures of 1574861 via cif-deposit CGI script. |
1574861.cif |
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