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Information card for entry 4127043
Preview
| Coordinates | 4127043.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H36 B Fe N3 O |
|---|---|
| Calculated formula | C29 H36 B Fe N3 O |
| Title of publication | Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals. |
| Authors of publication | Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| a | 16.787 ± 0.013 Å |
| b | 10.888 ± 0.009 Å |
| c | 14.974 ± 0.01 Å |
| α | 90° |
| β | 101.69 ± 0.03° |
| γ | 90° |
| Cell volume | 2680 ± 4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2276 |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205273 (current) | 2018-01-17 | cif/ Adding structures of 4127035, 4127036, 4127037, 4127038, 4127039, 4127040, 4127041, 4127042, 4127043 via cif-deposit CGI script. |
4127043.cif |
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Users of the data should acknowledge the original authors of the
structural data.