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Information card for entry 1575068
Preview
| Coordinates | 1575068.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tris(2-(1-methyl-1H-pyrazol-3-yl)pyridine)cobalt-di(tetrafluoroborate) |
|---|---|
| Formula | C27 H27 B2 Co F8 N9 |
| Calculated formula | C27 H27 B2 Co F8 N9 |
| 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 | 12.6814 ± 0.0004 Å |
| b | 12.1894 ± 0.0004 Å |
| c | 20.2334 ± 0.0008 Å |
| α | 90° |
| β | 104.141 ± 0.004° |
| γ | 90° |
| Cell volume | 3032.88 ± 0.19 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.1073 |
| Residual factor for significantly intense reflections | 0.0813 |
| Weighted residual factors for significantly intense reflections | 0.2266 |
| Weighted residual factors for all reflections included in the refinement | 0.2477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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 |
|---|---|---|---|
| 301207 (current) | 2025-07-08 | cif/ Adding structures of 1575067, 1575068, 1575069, 1575070 via cif-deposit CGI script. |
1575068.cif |
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Users of the data should acknowledge the original authors of the
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