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Information card for entry 4077185
Preview
| Coordinates | 4077185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | OMB |
|---|---|
| Chemical name | 1,2,3,4,5,6,7,8-Octamethylbiphenylene |
| Formula | C20 H24 |
| Calculated formula | C20 H26 |
| Title of publication | Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures |
| Authors of publication | Le Maguères, P.; Lindeman, S. V.; Kochi, J. K. |
| Journal of publication | Organometallics |
| Year of publication | 2001 |
| Journal volume | 20 |
| Journal issue | 1 |
| Pages of publication | 115 |
| a | 11.459 ± 0.002 Å |
| b | 7.003 ± 0.001 Å |
| c | 9.985 ± 0.002 Å |
| α | 90° |
| β | 106.67 ± 0.03° |
| γ | 90° |
| Cell volume | 767.6 ± 0.3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.1277 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for all reflections | 0.1932 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Goodness-of-fit parameter for all reflections | 0.425 |
| Goodness-of-fit parameter for significantly intense reflections | 0.859 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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