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Information card for entry 2242463
Preview
| Coordinates | 2242463.cif |
|---|---|
| Structure factors | 2242463.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>fac</i>-Bromido[2-(2,2'-bipyridin-6-yl)benzoic acid-κ^2^<i>N</i>,<i>N</i>']tricarbonylmanganese(I) tetrahydrofuran monosolvate |
|---|---|
| Formula | C20 H12 Br Mn N2 O5 |
| Calculated formula | C20 H12 Br Mn N2 O5 |
| Title of publication | Crystal structures of a manganese(I) and a rhenium(I) complex of a bipyridine ligand with a non-coordinating benzoic acid moiety |
| Authors of publication | Lense, Sheri; Guzei, Ilia A.; Andersen, Jessica; Thao, Kong Choua |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 5 |
| Pages of publication | 731 - 736 |
| a | 10.525 ± 0.003 Å |
| b | 18.187 ± 0.005 Å |
| c | 12.459 ± 0.004 Å |
| α | 90° |
| β | 105.928 ± 0.013° |
| γ | 90° |
| Cell volume | 2293.3 ± 1.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 99.97 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.061 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.1036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207556 (current) | 2018-04-30 | cif/ hkl/ Adding structures of 2242463, 2242464 via cif-deposit CGI script. |
2242463.cif 2242463.hkl |
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Users of the data should acknowledge the original authors of the
structural data.