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Information card for entry 1575070
Preview
| Coordinates | 1575070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C406.5 H427.5 B10.82 F43.28 N75 Ni8 O40.5 S3 |
|---|---|
| Calculated formula | C376.5 H307.5 B7.82 F31.28 N75 Ni8 O10.5 S3 |
| 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 | 21.4417 ± 0.0002 Å |
| b | 22.1353 ± 0.0002 Å |
| c | 24.3064 ± 0.0003 Å |
| α | 78.562 ± 0.001° |
| β | 72.319 ± 0.001° |
| γ | 88.964 ± 0.001° |
| Cell volume | 10762.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100.15 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 | 0.1268 |
| Residual factor for significantly intense reflections | 0.0949 |
| Weighted residual factors for significantly intense reflections | 0.298 |
| Weighted residual factors for all reflections included in the refinement | 0.3252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| 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. |
1575070.cif |
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Users of the data should acknowledge the original authors of the
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