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Information card for entry 4514651
Preview
| Coordinates | 4514651.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54.5 H51 B Br Cl5 Fe O2 P4 |
|---|---|
| Calculated formula | C54.5 H51 B Br Cl5 Fe O2 P4 |
| Title of publication | Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis |
| Authors of publication | Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 7300 |
| a | 11.496 ± 0.002 Å |
| b | 12.374 ± 0.003 Å |
| c | 20.858 ± 0.004 Å |
| α | 97.02 ± 0.03° |
| β | 94.81 ± 0.03° |
| γ | 111.71 ± 0.03° |
| Cell volume | 2709 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1184 |
| Residual factor for significantly intense reflections | 0.0864 |
| Weighted residual factors for significantly intense reflections | 0.2293 |
| Weighted residual factors for all reflections included in the refinement | 0.2538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219829 (current) | 2019-10-28 | cif/ Adding structures of 4514651 via cif-deposit CGI script. |
4514651.cif |
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