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Information card for entry 4086010
Preview
| Coordinates | 4086010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H34 F26 N2 |
|---|---|
| Calculated formula | C36 H34 F26 N2 |
| Title of publication | Synthesis of Heavy Fluorous Ruthenium Metathesis Catalysts Using the Stereoselective Addition of Polyfluoroalkyllithium to Sterically Hindered Diimines |
| Authors of publication | Hošek, Jan; Rybáčková, Markéta; Čejka, Jan; Cvačka, Josef; Kvíčala, Jaroslav |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 13 |
| Pages of publication | 3327 |
| a | 9.2672 ± 0.0005 Å |
| b | 13.6532 ± 0.0006 Å |
| c | 32.043 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4054.3 ± 0.3 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.091 |
| Residual factor for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections | 0.2547 |
| Weighted residual factors for significantly intense reflections | 0.2507 |
| Weighted residual factors for all reflections included in the refinement | 0.2547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9974 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4086010.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4086010.cif |
| 152891 | 2015-08-05 | cif/ Updating files of 4086010, 4086011 Original log message: Adding full bibliography for 4086010--4086011.cif. |
4086010.cif |
| 139819 | 2015-07-01 | cif/ Adding structures of 4086010, 4086011 via cif-deposit CGI script. |
4086010.cif |
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Users of the data should acknowledge the original authors of the
structural data.