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Information card for entry 2023212
Preview
| Coordinates | 2023212.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Ben Tickner BJT004 |
|---|---|
| Formula | C141.78 H168.72 Cl8 Cu20 Ir6 N18 O3.18 |
| Calculated formula | C141.18 H168.72 Cl8 Cu20 Ir6 N18 O3.18 |
| Title of publication | Pyrazine-bridged polymetallic copper–iridium clusters |
| Authors of publication | Tickner, Ben. J.; Gammons, Richard; Whitwood, Adrian C.; Duckett, Simon B. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 8 |
| a | 12.5708 ± 0.0003 Å |
| b | 14.8757 ± 0.0005 Å |
| c | 23.1383 ± 0.0007 Å |
| α | 84.392 ± 0.003° |
| β | 82.291 ± 0.002° |
| γ | 85.686 ± 0.002° |
| Cell volume | 4258.7 ± 0.2 Å3 |
| Cell temperature | 110.5 ± 0.8 K |
| Ambient diffraction temperature | 110.5 ± 0.8 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0599 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1306 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| 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 |
|---|---|---|---|
| 293562 (current) | 2024-07-27 | cif/ Adding structures of 2023212 via cif-deposit CGI script. |
2023212.cif |
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Users of the data should acknowledge the original authors of the
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