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Information card for entry 4519336
Preview
| Coordinates | 4519336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H36 Fe N2 Si |
|---|---|
| Calculated formula | C25 H36 Fe N2 Si |
| Title of publication | Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes |
| Authors of publication | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2022 |
| Pages of publication | 2979 - 2985 |
| a | 18.7305 ± 0.0007 Å |
| b | 14.4274 ± 0.0007 Å |
| c | 17.8945 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4835.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c e |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1149 |
| Weighted residual factors for all reflections included in the refinement | 0.1161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.