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Information card for entry 4519184
Preview
| Coordinates | 4519184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H24 F10 N O4 P S2 |
|---|---|
| Calculated formula | C26 H24 F10 N O4 P S2 |
| Title of publication | Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids |
| Authors of publication | O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C. |
| Journal of publication | ACS Omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 47 |
| Pages of publication | 32285 - 32296 |
| a | 9.4948 ± 0.0013 Å |
| b | 10.1971 ± 0.001 Å |
| c | 15.507 ± 0.0019 Å |
| α | 85.995 ± 0.005° |
| β | 84.791 ± 0.012° |
| γ | 89.282 ± 0.01° |
| Cell volume | 1491.5 ± 0.3 Å3 |
| Cell temperature | 102 K |
| Ambient diffraction temperature | 102 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 | 0.0782 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271050 (current) | 2021-12-03 | cif/ Adding structures of 4519184 via cif-deposit CGI script. |
4519184.cif |
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