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Information card for entry 2020749
Preview
| Coordinates | 2020749.cif |
|---|---|
| Structure factors | 2020749.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>fac</i>-Tricarbonylchlorido[2-(quinolin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>']manganese(I) |
|---|---|
| Formula | C19 H10 Cl Mn N2 O3 S |
| Calculated formula | C19 H10 Cl Mn N2 O3 S |
| Title of publication | Synthesis and structures of photoactive manganese‒carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole |
| Authors of publication | Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 4 |
| a | 9.1239 ± 0.0005 Å |
| b | 16.4292 ± 0.0009 Å |
| c | 12.2101 ± 0.0006 Å |
| α | 90° |
| β | 96.737 ± 0.001° |
| γ | 90° |
| Cell volume | 1817.64 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 7 |
| 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 | 0.0597 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194472 (current) | 2017-03-24 | cif/ hkl/ Adding structures of 2020748, 2020749 via cif-deposit CGI script. |
2020749.cif 2020749.hkl |
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Users of the data should acknowledge the original authors of the
structural data.