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Information card for entry 2243996
Preview
| Coordinates | 2243996.cif |
|---|---|
| Structure factors | 2243996.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(μ-4-trifluoromethylbenzoato-κ^2^<i>O</i>:<i>O</i>')dimolybdenum(II) 0.762-pentane 0.238-tetrahydrofuran solvate |
|---|---|
| Formula | C44.76 H43.05 F12 Mo2 O10.24 |
| Calculated formula | C44.762 H43.048 F12 Mo2 O10.238 |
| Title of publication | Crystal structure of a trifluoromethyl benzoato quadruple-bonded dimolybdenum complex |
| Authors of publication | Aigeldinger, Elisabeth; Brandao, Lilliana; Powell, Troy; Hartnett, Alaina C.; Sun, Rui; Dogutan, Dilek K.; Zheng, Shao-Liang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 2 |
| a | 7.7687 ± 0.0017 Å |
| b | 12.099 ± 0.005 Å |
| c | 12.572 ± 0.002 Å |
| α | 85.843 ± 0.013° |
| β | 81.208 ± 0.008° |
| γ | 83.107 ± 0.016° |
| Cell volume | 1157.6 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0621 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271957 (current) | 2022-01-08 | cif/ hkl/ Adding structures of 2243996 via cif-deposit CGI script. |
2243996.cif 2243996.hkl |
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Users of the data should acknowledge the original authors of the
structural data.