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Information card for entry 4074452
Preview
| Coordinates | 4074452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H45 F6 N3 Rh Sb |
|---|---|
| Calculated formula | C46 H45 F6 N3 Rh Sb |
| SMILES | [Sb](F)(F)(F)(F)(F)[F-].[Rh]123([n]4cc5c(cc4)cccc5)(=C4N([C@H]([C@@H](N4c4c(cccc4)C)c4ccccc4)c4ccccc4)c4c(cccc4)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4 |
| Title of publication | Stereodynamics and Asymmetric Hydrosilylation with Chiral Rhodium Complexes Containing a Monodentate N-Heterocyclic Carbene |
| Authors of publication | Faller, J. W.; Fontaine, Philip P. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 25 |
| Pages of publication | 5887 |
| a | 9.8459 ± 0.0003 Å |
| b | 18.3293 ± 0.0006 Å |
| c | 11.4953 ± 0.0003 Å |
| α | 90° |
| β | 90.785 ± 0.002° |
| γ | 90° |
| Cell volume | 2074.34 ± 0.11 Å3 |
| Cell temperature | 173.2 K |
| Ambient diffraction temperature | 173.2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0467 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections | 0.039 |
| Weighted residual factors for all reflections included in the refinement | 0.038 |
| Goodness-of-fit parameter for all reflections | 1.835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.91 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4074452.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4074452.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074452.cif |
| 48383 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074452 via cif-deposit CGI script. |
4074452.cif |
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