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Information card for entry 1518406
Preview
| Coordinates | 1518406.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H36 N2 P2 |
|---|---|
| Calculated formula | C28 H36 N2 P2 |
| SMILES | CN(C1CCCCC1)P(c1ccccc1)N(C(C)C)P(c1ccccc1)c1ccccc1 |
| Title of publication | Comparative study of new chromium-based catalysts for the selective tri- and tetramerization of ethylene |
| Authors of publication | Härzschel, Stefan; Kühn, Fritz E.; Wöhl, Anina; Müller, Wolfgang; Al-Hazmi, Mohammed H.; Alqahtani, Abdullah M.; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe |
| Journal of publication | Catal. Sci. Technol. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 3 |
| Pages of publication | 1678 |
| a | 11.4796 ± 0.0004 Å |
| b | 15.5902 ± 0.0006 Å |
| c | 15.8639 ± 0.0006 Å |
| α | 98.551 ± 0.002° |
| β | 106.145 ± 0.002° |
| γ | 104.953 ± 0.002° |
| Cell volume | 2559.42 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0755 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.1039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518406.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518406.cif |
| 133078 | 2015-03-06 | cif/ Updating files of 1518406 Original log message: Adding full bibliography for 1518406.cif. |
1518406.cif |
| 128528 | 2014-12-12 | cif/ Adding structures of 1518406 via cif-deposit CGI script. |
1518406.cif |
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Users of the data should acknowledge the original authors of the
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