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Information card for entry 7239724
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| Coordinates | 7239724.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Gold(III) meso-(4-trifluoromethylphenyl)dipyrrin-bisphenolate |
|---|---|
| Formula | C28 H16 Au F3 N2 O2 |
| Calculated formula | C28 H16 Au F3 N2 O2 |
| Title of publication | Gold dipyrrin-bisphenolates: a combined experimental and DFT study of metal‒ligand interactions |
| Authors of publication | Thomas, Kolle E.; Desbois, Nicolas; Conradie, Jeanet; Teat, Simon J.; Gros, Claude P.; Ghosh, Abhik |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 1 |
| Pages of publication | 533 - 540 |
| a | 6.8844 ± 0.0004 Å |
| b | 16.4488 ± 0.0008 Å |
| c | 19.824 ± 0.001 Å |
| α | 90° |
| β | 98.802 ± 0.002° |
| γ | 90° |
| Cell volume | 2218.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.332 |
| Diffraction radiation wavelength | 0.7288 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258010 (current) | 2020-10-06 | cif/ Updating files of 7239724 Original log message: Adding full bibliography for 7239724.cif. |
7239724.cif |
| 246470 | 2020-01-03 | cif/ Adding structures of 7239724 via cif-deposit CGI script. |
7239724.cif |
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