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Information card for entry 4074609
Preview
| Coordinates | 4074609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H43.5 Cl Cr N O4 P2 |
|---|---|
| Calculated formula | C44 H43.5 Cl1.5 Cr N O4 P2 |
| Title of publication | Ethylene Trimerization Catalysts Based on Chromium Complexes with a Nitrogen-Bridged Diphosphine Ligand Havingortho-Methoxyaryl orortho-Thiomethoxy Substituents: Well-Defined Catalyst Precursors and Investigations of the Mechanism |
| Authors of publication | Schofer, Susan J.; Day, Michael W.; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 11 |
| Pages of publication | 2743 |
| a | 10.5083 ± 0.0006 Å |
| b | 11.2424 ± 0.0007 Å |
| c | 18.3603 ± 0.001 Å |
| α | 93.964 ± 0.001° |
| β | 92.994 ± 0.001° |
| γ | 115.085 ± 0.001° |
| Cell volume | 1951.8 ± 0.2 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0836 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.472 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4074609.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4074609.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074609.cif |
| 48609 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4074609 via cif-deposit CGI script. |
4074609.cif |
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Users of the data should acknowledge the original authors of the
structural data.