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Information card for entry 7243197
Preview
| Coordinates | 7243197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H24 Mo N2 O S4 |
|---|---|
| Calculated formula | C17 H24 Mo N2 O S4 |
| Title of publication | Interligand communication in a metal mediated LL′CT system ‒ a case study |
| Authors of publication | Dille, Sara A.; Colston, Kyle J.; Ratvasky, Stephen C.; Pu, Jingzhi; Basu, Partha |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 39 |
| Pages of publication | 24381 - 24386 |
| a | 12.6981 ± 0.0001 Å |
| b | 15.8799 ± 0.0002 Å |
| c | 21.2754 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4290.07 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0887 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267485 (current) | 2021-07-13 | cif/ Adding structures of 7243197 via cif-deposit CGI script. |
7243197.cif |
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Users of the data should acknowledge the original authors of the
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