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Information card for entry 7113447
Preview
| Coordinates | 7113447.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H52 N4 Ni O2 |
|---|---|
| Calculated formula | C60 H52 N4 Ni O2 |
| SMILES | [Ni]123(Oc4c(C=[N]2c2ccccc2)cccc4c2c4ccccc4cc4ccccc24)(Oc2c(C=[N]1c1ccccc1)cccc2c1c2ccccc2cc2ccccc12)[N](CC[N]3(C)C)(C)C |
| Title of publication | Synthesis of neutral nickel catalysts for ethylene polymerization ‒ the influence of ligand size on catalyst stability |
| Authors of publication | Connor, Eric F.; Younkin, Todd R.; Henderson, Jason I.; Waltman, Andrew W.; Grubbs, Robert H. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 18 |
| Pages of publication | 2272 - 2273 |
| a | 17.8013 ± 0.0006 Å |
| b | 19.2789 ± 0.0006 Å |
| c | 27.0247 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9274.6 ± 0.5 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0833 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0566 |
| Weighted residual factors for all reflections included in the refinement | 0.0589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.805 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104794 |
| 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. |
7113447.cif |
| 209777 | 2018-08-16 | cif/7/ Updating bibliography in entries 7104794-7104797, 7113447-7113450. Marking entries 7113447-7113450 as duplicates of entries 7104794-7104797. |
7113447.cif |
| 180248 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/34. |
7113447.cif |
| 115071 | 2014-06-02 | cif/ Adding structures of 7113447, 7113448, 7113449, 7113450 via cif-deposit CGI script. |
7113447.cif |
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Users of the data should acknowledge the original authors of the
structural data.