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Information card for entry 1564644
Preview
| Coordinates | 1564644.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H58 Al B Br2 F36 O8 P8 Ta2 |
|---|---|
| Calculated formula | C54 H58 Al B Br2 F36 O8 P8 Ta2 |
| Title of publication | Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block |
| Authors of publication | Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 10.70454 ± 0.00017 Å |
| b | 17.1553 ± 0.0004 Å |
| c | 22.3411 ± 0.0006 Å |
| α | 73.344 ± 0.002° |
| β | 86.2377 ± 0.0016° |
| γ | 85.9405 ± 0.0015° |
| Cell volume | 3916.3 ± 0.16 Å3 |
| Cell temperature | 122.93 ± 0.19 K |
| Ambient diffraction temperature | 122.93 ± 0.19 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0775 |
| Residual factor for significantly intense reflections | 0.0736 |
| Weighted residual factors for significantly intense reflections | 0.1915 |
| Weighted residual factors for all reflections included in the refinement | 0.195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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 |
|---|---|---|---|
| 269134 (current) | 2021-09-15 | cif/ Adding structures of 1564638, 1564639, 1564640, 1564641, 1564642, 1564643, 1564644, 1564645, 1564646, 1564647, 1564648 via cif-deposit CGI script. |
1564644.cif |
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Users of the data should acknowledge the original authors of the
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