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Information card for entry 7224570
Preview
| Coordinates | 7224570.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H29 F2 N O5 Ru S2 |
|---|---|
| Calculated formula | C20 H29 F2 N O5 Ru S2 |
| SMILES | [Ru]123456789([cH]%10[cH]4[cH]3[cH]2[cH]1%10)[cH]1[cH]5[c]6([cH]7[cH]8[cH]91)OCCCCCCCCC.S(=O)(=O)(F)N=S([O-])(=O)F |
| Title of publication | Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes. |
| Authors of publication | Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 15 |
| Pages of publication | 10041 - 10048 |
| a | 7.928 ± 0.003 Å |
| b | 9.542 ± 0.004 Å |
| c | 16.403 ± 0.006 Å |
| α | 98.073 ± 0.005° |
| β | 101.571 ± 0.004° |
| γ | 103.61 ± 0.004° |
| Cell volume | 1158.3 ± 0.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.061 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1556 |
| Weighted residual factors for all reflections included in the refinement | 0.1629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204137 (current) | 2017-12-10 | cif/7/ Updating space group information in entries 7216946, 7220752, 7222210, 7224570, 7226065. |
7224570.cif |
| 204082 | 2017-12-09 | cif/7/ Removing misspelt variants of the _symmetry_space_group_name_hall data name from entries 7034779, 7224570, 7226065. |
7224570.cif |
| 182796 | 2016-05-06 | cif/ Updating files of 7224569, 7224570, 7224571 Original log message: Adding full bibliography for 7224569--7224571.cif. |
7224570.cif |
| 178073 | 2016-03-10 | cif/ Adding structures of 7224569, 7224570, 7224571 via cif-deposit CGI script. |
7224570.cif |
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Users of the data should acknowledge the original authors of the
structural data.