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Information card for entry 1575069
Preview
| Coordinates | 1575069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C372.2 H412.8 B12.75 Cl1.55 F51 Fe8 N72 O38.2 |
|---|---|
| Calculated formula | C349.2 H320.8 B12.15 Cl1.55 F48.6 Fe8 N72 O15.2 |
| Title of publication | An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages |
| Authors of publication | Williams, James R.; Ward, Michael D. |
| Journal of publication | Nanoscale |
| Year of publication | 2025 |
| a | 32.9811 ± 0.0002 Å |
| b | 30.0048 ± 0.0002 Å |
| c | 39.7967 ± 0.0003 Å |
| α | 90° |
| β | 96.454 ± 0.001° |
| γ | 90° |
| Cell volume | 39132.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0863 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.1965 |
| Weighted residual factors for all reflections included in the refinement | 0.2089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301207 (current) | 2025-07-08 | cif/ Adding structures of 1575067, 1575068, 1575069, 1575070 via cif-deposit CGI script. |
1575069.cif |
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Users of the data should acknowledge the original authors of the
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