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Information card for entry 4517353
Preview
| Coordinates | 4517353.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H29 F6 P Ru S3 |
|---|---|
| Calculated formula | C20 H29 F6 P Ru S3 |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]167892345[cH]2[c]1([cH]6[c]7([cH]8[c]92SCCC)SCCC)SCCC.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes |
| Authors of publication | Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki |
| Journal of publication | ACS Omega |
| Year of publication | 2020 |
| a | 21.815 ± 0.002 Å |
| b | 40.483 ± 0.004 Å |
| c | 10.9637 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9682.4 ± 1.6 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0227 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.0543 |
| Weighted residual factors for all reflections included in the refinement | 0.0549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247220 (current) | 2020-01-25 | cif/ Adding structures of 4517353 via cif-deposit CGI script. |
4517353.cif |
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