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Information card for entry 1574058
Preview
| Coordinates | 1574058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H34 Cr O4 P2 |
|---|---|
| Calculated formula | C33 H34 Cr O4 P2 |
| SMILES | [Cr]1([P](C(=C(C)C)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)C1CCCCC1)(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | PCCP ligands with a semi-rigid backbone for the chromium-catalyzed selective ethylene tri-/tetramerization |
| Authors of publication | Wang, Jihe; Zhao, Xing; Xie, Haojie; Zuo, Jing; Zhang, Jun; Zhao, Mei-Xin |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2025 |
| a | 20.1424 ± 0.0008 Å |
| b | 10.949 ± 0.0003 Å |
| c | 13.4777 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2972.36 ± 0.17 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0647 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298302 (current) | 2025-03-07 | cif/ Adding structures of 1574058, 1574059 via cif-deposit CGI script. |
1574058.cif |
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