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Information card for entry 4519407
Preview
| Coordinates | 4519407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H20 S4 |
|---|---|
| Calculated formula | C34 H20 S4 |
| SMILES | S1c2c(Sc3c1cccc3)cccc2c1c2c(c3c4Sc5ccccc5Sc4ccc3)cccc2ccc1 |
| Title of publication | Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution. |
| Authors of publication | Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro |
| Journal of publication | ACS omega |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 11 |
| Pages of publication | 9594 - 9601 |
| a | 21.019 ± 0.0018 Å |
| b | 7.8788 ± 0.0007 Å |
| c | 46.469 ± 0.004 Å |
| α | 90° |
| β | 97.275 ± 0.001° |
| γ | 90° |
| Cell volume | 7633.5 ± 1.1 Å3 |
| Cell temperature | 73 K |
| Ambient diffraction temperature | 73 K |
| Number of distinct elements | 3 |
| 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 | 0.0811 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274264 (current) | 2022-04-03 | cif/ Adding structures of 4519407 via cif-deposit CGI script. |
4519407.cif |
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Users of the data should acknowledge the original authors of the
structural data.