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Information card for entry 1518832
Preview
| Coordinates | 1518832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C75 H50 Au B F24 P2 |
|---|---|
| Calculated formula | C75 H50 Au B F24 P2 |
| SMILES | [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.c1(ccccc1)C |
| Title of publication | Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments |
| Authors of publication | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 2989 |
| a | 12.38 ± 0.003 Å |
| b | 15.772 ± 0.005 Å |
| c | 18.327 ± 0.004 Å |
| α | 83.065 ± 0.019° |
| β | 74.699 ± 0.013° |
| γ | 81.63 ± 0.02° |
| Cell volume | 3402.1 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0647 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518832.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518832.cif |
| 138495 | 2015-06-07 | cif/ Updating files of 1518822, 1518823, 1518824, 1518825, 1518826, 1518827, 1518828, 1518829, 1518830, 1518831, 1518832 Original log message: Adding full bibliography for 1518822--1518832.cif. |
1518832.cif |
| 133800 | 2015-03-11 | cif/ Adding structures of 1518822, 1518823, 1518824, 1518825, 1518826, 1518827, 1518828, 1518829, 1518830, 1518831, 1518832 via cif-deposit CGI script. |
1518832.cif |
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Users of the data should acknowledge the original authors of the
structural data.