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Information card for entry 7239269
Preview
| Coordinates | 7239269.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H37.5 N4.5 P2 Ru S3 |
|---|---|
| Calculated formula | C42 H32 N4.5 P2 Ru S3 |
| Title of publication | Unusual chemical transformations of acetone thiosemicarbazone mediated by ruthenium: C‒H bond activation, thiolation, and C‒N bond cleavage |
| Authors of publication | Paul, Piyali; Seth, Dipravath Kumar; Richmond, Michael G.; Bhattacharya, Samaresh |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 3 |
| Pages of publication | 1432 |
| a | 12.509 ± 0.005 Å |
| b | 12.844 ± 0.005 Å |
| c | 13.672 ± 0.005 Å |
| α | 95.721 ± 0.005° |
| β | 96.275 ± 0.005° |
| γ | 104.012 ± 0.005° |
| Cell volume | 2100.3 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1145 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.1704 |
| Weighted residual factors for all reflections included in the refinement | 0.1944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244627 (current) | 2019-11-28 | cif/ Adding structures of 7239268, 7239269 via cif-deposit CGI script. |
7239269.cif |
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