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Information card for entry 4060135
Preview
| Coordinates | 4060135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H7 Br O S2 |
|---|---|
| Calculated formula | C11 H7 Br O S2 |
| Title of publication | Design and Synthesis of Ruthenium Oligothienylacetylide Complexes. New Materials for Acoustically Induced Nonlinear Optics |
| Authors of publication | Fillaut, Jean-Luc; Perruchon, Johann; Blanchard, Philippe; Roncali, Jean; Golhen, Stéphane; Allain, Magali; Migalsaka-Zalas, Anna; Kityk, Ivan V.; Sahraoui, Bouchta |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 4 |
| Pages of publication | 687 - 695 |
| a | 8.0389 ± 0.0007 Å |
| b | 7.536 ± 0.001 Å |
| c | 18.853 ± 0.002 Å |
| α | 90° |
| β | 94.48 ± 0.01° |
| γ | 90° |
| Cell volume | 1138.6 ± 0.4 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 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 | 0.096 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections | 2.038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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