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Information card for entry 1572424
Preview
| Coordinates | 1572424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H38 Cl O Sc |
|---|---|
| Calculated formula | C24 H38 Cl O Sc |
| Title of publication | Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>. |
| Authors of publication | Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 39 |
| Pages of publication | 16069 - 16078 |
| a | 8.4652 ± 0.0003 Å |
| b | 16.6864 ± 0.0005 Å |
| c | 17.8292 ± 0.0006 Å |
| α | 63.797 ± 0.003° |
| β | 88.175 ± 0.002° |
| γ | 87.697 ± 0.002° |
| Cell volume | 2257.53 ± 0.14 Å3 |
| Cell temperature | 179.99 ± 0.1 K |
| Ambient diffraction temperature | 179.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296405 (current) | 2024-12-06 | cif/ Updating files of 1572423, 1572424, 1572425, 1572426, 1572427, 1572428 Original log message: Adding full bibliography for 1572423--1572428.cif. |
1572424.cif |
| 294297 | 2024-08-31 | cif/ Adding structures of 1572423, 1572424, 1572425, 1572426, 1572427, 1572428 via cif-deposit CGI script. |
1572424.cif |
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Users of the data should acknowledge the original authors of the
structural data.