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Information card for entry 4084067
Preview
| Coordinates | 4084067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H26 Au F6 N O4 P Sb |
|---|---|
| Calculated formula | C20 H26 Au F6 N O4 P Sb |
| SMILES | [Au]([P](O)(c1ccccc1)C(C)(C)C)[N]#Cc1c(OC)cc(OC)cc1OC.[Sb](F)(F)(F)(F)([F-])F |
| Title of publication | Secondary Phosphine Oxide‒Gold(I) Complexes and Their First Application in Catalysis |
| Authors of publication | Schröder, Felix; Tugny, Coralie; Salanouve, Elise; Clavier, Hervé; Giordano, Laurent; Moraleda, Delphine; Gimbert, Yves; Mouriès-Mansuy, Virginie; Goddard, Jean-Philippe; Fensterbank, Louis |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 15 |
| Pages of publication | 4051 |
| a | 8.6591 ± 0.0003 Å |
| b | 16.4937 ± 0.0005 Å |
| c | 18.0709 ± 0.0006 Å |
| α | 90° |
| β | 94.626 ± 0.002° |
| γ | 90° |
| Cell volume | 2572.49 ± 0.15 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.0945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.186 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178729 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/40. |
4084067.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 {}' |
4084067.cif |
| 123081 | 2014-09-06 | cif/ Updating files of 4084063, 4084064, 4084065, 4084066, 4084067 Original log message: Adding full bibliography for 4084063--4084067.cif. |
4084067.cif |
| 120703 | 2014-07-24 | cif/ Adding structures of 4084063, 4084064, 4084065, 4084066, 4084067 via cif-deposit CGI script. |
4084067.cif |
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Users of the data should acknowledge the original authors of the
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