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Information card for entry 4132069
Preview
| Coordinates | 4132069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H118 Fe2 P2 Si2 |
|---|---|
| Calculated formula | C82 H118 Fe2 P2 Si2 |
| Title of publication | Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing. |
| Authors of publication | Smith, Patrick W.; Tilley, T. Don |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 11 |
| Pages of publication | 3880 - 3883 |
| a | 14.0318 ± 0.0003 Å |
| b | 15.674 ± 0.0003 Å |
| c | 33.3126 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7326.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.02 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0916 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242111 (current) | 2019-11-25 | cif/ Adding structures of 4132069 via cif-deposit CGI script. |
4132069.cif |
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Users of the data should acknowledge the original authors of the
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