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Information card for entry 7712528
Preview
| Coordinates | 7712528.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | thianth-py2 |
|---|---|
| Formula | C23 H16 Cl2 N2 S2 |
| Calculated formula | C23 H16 Cl2 N2 S2 |
| Title of publication | Distal scaffold flexibility accelerates ligand substitution kinetics in manganese(I) tricarbonyls: flexible thianthrene <i>versus</i> rigid anthracene scaffolds. |
| Authors of publication | Labrecque, Jordan; Cho, Yae-In; McIntosh, Daniel K.; Agboola, Faridat; Rose, Michael J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| a | 7.5739 ± 0.0002 Å |
| b | 11.5905 ± 0.0003 Å |
| c | 11.9375 ± 0.0003 Å |
| α | 77.276 ± 0.002° |
| β | 88.191 ± 0.002° |
| γ | 83.065 ± 0.002° |
| Cell volume | 1014.71 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 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 | 0.0496 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1384 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281716 (current) | 2023-03-08 | cif/ Adding structures of 7712528, 7712529 via cif-deposit CGI script. |
7712528.cif |
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