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Information card for entry 1577292
Preview
| Coordinates | 1577292.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | {mu-eta6,eta6-[2,3,6,7,9,10-Me6-9,10-DBA]}{Li(thf)2}2 |
|---|---|
| Chemical name | 3 |
| Formula | C34 H54 B2 Li2 O4 |
| Calculated formula | C34 H54 B2 Li2 O4 |
| Title of publication | Zerovalent transition-metal inverse-sandwich complexes of a diborataanthracene dianion |
| Authors of publication | Gerstner, Alexander; Arrowsmith, Merle; Dietz, Maximilian; Mihm, Cornelius; Braunschweig, Holger |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 8.7241 ± 0.0002 Å |
| b | 9.4419 ± 0.0001 Å |
| c | 19.9924 ± 0.0004 Å |
| α | 90° |
| β | 96.948 ± 0.002° |
| γ | 90° |
| Cell volume | 1634.72 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0803 |
| Residual factor for significantly intense reflections | 0.0736 |
| Weighted residual factors for significantly intense reflections | 0.2083 |
| Weighted residual factors for all reflections included in the refinement | 0.2148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Diffraction radiation X-ray symbol | K-L~2,3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.