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Information card for entry 4073045
Preview
| Coordinates | 4073045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H6 Al2 F60 O6 |
|---|---|
| Calculated formula | C78 H6 Al2 F60 O6 |
| SMILES | C(c1c(c(c(F)c(c1F)F)F)F)(c1c(c(c(F)c(c1F)F)F)F)O[Al]1(OC(c2c(c(c(c(c2F)F)F)F)F)c2c(c(c(c(c2F)F)F)F)F)[O](C(c2c(c(c(c(c2F)F)F)F)F)c2c(c(c(c(c2F)F)F)F)F)[Al](OC(c2c(c(c(c(c2F)F)F)F)F)c2c(F)c(c(c(c2F)F)F)F)(OC(c2c(c(c(c(c2F)F)F)F)F)c2c(c(c(c(c2F)F)F)F)F)[O]1C(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
| Title of publication | Cocatalyst Influence in Selective Oligomerization: Effect on Activity, Catalyst Stability, and 1-Hexene/1-Octene Selectivity in the Ethylene Trimerization and Tetramerization Reaction |
| Authors of publication | McGuinness, David S.; Rucklidge, Adam J.; Tooze, Robert P.; Slawin, Alexandra M. Z. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 10 |
| Pages of publication | 2561 |
| a | 14.526 ± 0.003 Å |
| b | 13.99 ± 0.003 Å |
| c | 18.153 ± 0.004 Å |
| α | 90° |
| β | 92.314 ± 0.01° |
| γ | 90° |
| Cell volume | 3686 ± 1.4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.182 |
| Residual factor for significantly intense reflections | 0.1127 |
| Weighted residual factors for significantly intense reflections | 0.2462 |
| Weighted residual factors for all reflections included in the refinement | 0.2985 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178619 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/30. |
4073045.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073045.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073045.cif |
| 46134 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073043, 4073044, 4073045, 4073046 via cif-deposit CGI script. |
4073045.cif |
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Users of the data should acknowledge the original authors of the
structural data.