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Information card for entry 7062968
Preview
| Coordinates | 7062968.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis(μ2-2-(bis(2-Pyridylmethyl)amino)ethanethiolato-N,N',N",S)-di-cadmium(ii) chloride benzene solvate |
|---|---|
| Formula | C34 H38 Cd2 Cl2 N6 S2 |
| Calculated formula | C34 H38 Cd2 Cl2 N6 S2 |
| Title of publication | Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand |
| Authors of publication | Sturner, Michelle A.; Thomas, Isla D.; Owusu-Koramoah, Joshua E.; Reynolds, Todd M.; Berry, Steven M.; Butcher, Raymond J.; Bebout, Deborah C. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2024 |
| Journal volume | 48 |
| Journal issue | 6 |
| Pages of publication | 2547 - 2557 |
| a | 9.0044 ± 0.0009 Å |
| b | 10.0424 ± 0.001 Å |
| c | 10.5406 ± 0.001 Å |
| α | 75.097 ± 0.002° |
| β | 72.253 ± 0.002° |
| γ | 88.38 ± 0.002° |
| Cell volume | 875.95 ± 0.15 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0274 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290233 (current) | 2024-03-04 | cif/ Updating files of 7062968, 7062969, 7062970, 7062971 Original log message: Adding full bibliography for 7062968--7062971.cif. |
7062968.cif |
| 289069 | 2024-01-13 | cif/ Adding structures of 7062968, 7062969, 7062970, 7062971 via cif-deposit CGI script. |
7062968.cif |
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Users of the data should acknowledge the original authors of the
structural data.