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Information card for entry 7052783
Preview
| Coordinates | 7052783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H66 Cl2 N O3 P3 Ru |
|---|---|
| Calculated formula | C74 H66 Cl2 N O3 P3 Ru |
| Title of publication | New five-coordinate Ru(ii) phosphoramidite complexes and their catalytic activity in propargylic amination reactions |
| Authors of publication | Widaman, Andria K.; Rath, Nigam P.; Bauer, Eike B. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 2427 |
| a | 13.6805 ± 0.0003 Å |
| b | 14.5594 ± 0.0003 Å |
| c | 17.2394 ± 0.0004 Å |
| α | 77.117 ± 0.001° |
| β | 71.508 ± 0.001° |
| γ | 71.698 ± 0.001° |
| Cell volume | 3062.57 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0619 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1148 |
| Weighted residual factors for all reflections included in the refinement | 0.1334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180081 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27. |
7052783.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 {}' |
7052783.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052783.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052783.cif |
| 30108 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7052783 via cif-deposit CGI script. |
7052783.cif |
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Users of the data should acknowledge the original authors of the
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