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Information card for entry 7132144
Preview
| Coordinates | 7132144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H6 F6 N4 O4 S2 |
|---|---|
| Calculated formula | C3 H7 F6 N4 O4 S2 |
| Title of publication | A Guanidium Salt as a Chaotropic Agent for Aqueous Battery Electrolytes |
| Authors of publication | Brown, John; Forero-Saboya, Juan David; Baptiste, Benoît; Karlsmo, Martin; Rousse, Gwenaëlle; Grimaud, Alexis |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 15.9721 ± 0.0009 Å |
| b | 18.6173 ± 0.0009 Å |
| c | 25.1641 ± 0.0005 Å |
| α | 89.96 ± 0.003° |
| β | 85.636 ± 0.003° |
| γ | 87.428 ± 0.004° |
| Cell volume | 7453.5 ± 0.6 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1394 |
| Residual factor for significantly intense reflections | 0.1027 |
| Weighted residual factors for significantly intense reflections | 0.2681 |
| Weighted residual factors for all reflections included in the refinement | 0.2976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286434 (current) | 2023-09-21 | cif/ Adding structures of 7132144 via cif-deposit CGI script. |
7132144.cif |
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Users of the data should acknowledge the original authors of the
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