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Information card for entry 7110347
Preview
| Coordinates | 7110347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28.5 H24 Co F4 P |
|---|---|
| Calculated formula | C28.5 H24 Co F4 P |
| Title of publication | Stepwise addition of difluorocarbene to a transition metal centre |
| Authors of publication | Graham M. Lee; Daniel J. Harrison; Ilia Korobkov; R. Tom Baker |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 1128 |
| a | 8.9032 ± 0.0003 Å |
| b | 9.6331 ± 0.0003 Å |
| c | 15.0734 ± 0.0005 Å |
| α | 98.01 ± 0.002° |
| β | 95.934 ± 0.002° |
| γ | 109.836 ± 0.002° |
| Cell volume | 1188.35 ± 0.07 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1405 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7110347.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 {}' |
7110347.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7110347.cif |
| 94645 | 2014-01-27 | cif/ Adding structures of 7110347, 7110348, 7110349 via cif-deposit CGI script. |
7110347.cif |
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Users of the data should acknowledge the original authors of the
structural data.