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Information card for entry 7117982
Preview
| Coordinates | 7117982.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C71 H64 Au2 B4 Fe4 N2 O6 |
|---|---|
| Calculated formula | C71 H64 Au2 B4 Fe4 N2 O6 |
| Title of publication | Cyclometalated (boroxinato)gold(III) complexes from arrested transmetalation |
| Authors of publication | Amberle R. Browne; Nihal Deligonul; Bryce L. Anderson; Matthias Zeller; Allen D. Hunter; Thomas G. Gray |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 15800 |
| a | 20.8526 ± 0.0009 Å |
| b | 7.7561 ± 0.0002 Å |
| c | 21.4691 ± 0.0009 Å |
| α | 90° |
| β | 118.283 ± 0.0011° |
| γ | 90° |
| Cell volume | 3057.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0511 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0672 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7117982.cif |
| 169746 | 2015-10-26 | cif/ Adding structures of 7117981, 7117982, 7117983, 7117984 via cif-deposit CGI script. |
7117982.cif |
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Users of the data should acknowledge the original authors of the
structural data.