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Information card for entry 4519337
Preview
| Coordinates | 4519337.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H57 B Fe N2 |
|---|---|
| Calculated formula | C37 H57 B Fe N2 |
| 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 | 19.2143 ± 0.0004 Å |
| b | 20.1989 ± 0.0004 Å |
| c | 9.3011 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3609.83 ± 0.13 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0491 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.