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Information card for entry 1574729
Preview
| Coordinates | 1574729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H36 Cl4 F15 Fe N P2 |
|---|---|
| Calculated formula | C45 H36 Cl4 F15 Fe N P2 |
| Title of publication | Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand |
| Authors of publication | Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 15.931 ± 0.0009 Å |
| b | 15.9306 ± 0.0011 Å |
| c | 18.5289 ± 0.0013 Å |
| α | 90° |
| β | 89.979 ± 0.003° |
| γ | 90° |
| Cell volume | 4702.5 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0681 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1714 |
| Weighted residual factors for all reflections included in the refinement | 0.1967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.842 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299826 (current) | 2025-05-28 | cif/ Adding structures of 1574729, 1574730, 1574731 via cif-deposit CGI script. |
1574729.cif |
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