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Information card for entry 7134989
Preview
| Coordinates | 7134989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H9 F O3 |
|---|---|
| Calculated formula | C9 H9 F O3 |
| Title of publication | An Fe(II) complex detects hydrogen peroxide with <sup>1</sup>H and <sup>19</sup>F magnetic resonance imaging responses. |
| Authors of publication | Karbalaei, Sana; Franke, Alicja; Zahl, Achim; Pokkuluri, P. Raj; Beyers, Ronald J.; Ivanović-Burmazović, Ivana; Goldsmith, Christian R. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| a | 18.7223 ± 0.0013 Å |
| b | 11.2619 ± 0.0007 Å |
| c | 8.6284 ± 0.0007 Å |
| α | 90° |
| β | 109.598 ± 0.003° |
| γ | 90° |
| Cell volume | 1713.9 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302157 (current) | 2025-09-17 | cif/ Adding structures of 7134989, 7134990 via cif-deposit CGI script. |
7134989.cif |
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Users of the data should acknowledge the original authors of the
structural data.