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Information card for entry 4066330
Preview
| Coordinates | 4066330.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H56 Cl6 Cr2 P4 |
|---|---|
| Calculated formula | C56 H56 Cl6 Cr2 P4 |
| SMILES | [Cr]12(Cl)(Cl)([Cl][Cr]3([Cl]1)(Cl)(Cl)[P]([C@H]([C@@H]([P]3(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1)[P]([C@H]([C@@H]([P]2(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1 |
| Title of publication | Bimetallic Ethylene Tetramerization Catalysts Derived from Chiral DPPDME Ligands: Syntheses, Structural Characterizations, and Catalytic Performance of [(DPPDME)CrCl3]2(DPPDME =S,S- andR,R-chiraphos andmeso-achiraphos) |
| Authors of publication | Kim, Sung-Kwan; Kim, Tae-Jin; Chung, Jae-Ho; Hahn, Tak-Kyu; Chae, Sung-Soek; Lee, Ho-Seong; Cheong, Minserk; Kang, Sang Ook |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 22 |
| Pages of publication | 5805 |
| a | 11.171 ± 0.004 Å |
| b | 19.068 ± 0.007 Å |
| c | 30.599 ± 0.011 Å |
| α | 90° |
| β | 99.86 ± 0.007° |
| γ | 90° |
| Cell volume | 6422 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1235 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1371 |
| Weighted residual factors for all reflections included in the refinement | 0.1575 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178555 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/63. |
4066330.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066330.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066330.cif |
| 33861 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066330, 4066331, 4066332 via cif-deposit CGI script. |
4066330.cif |
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