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Information card for entry 7110349
Preview
| Coordinates | 7110349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H26 Co F4 O3 P |
|---|---|
| Calculated formula | C16 H26 Co F4 O3 P |
| SMILES | [Co]12345([P](OC(C)C)(OC(C)C)OC(C)C)([cH]6[cH]1[cH]2[cH]3[cH]46)[C](F)(F)=[C]5(F)F |
| 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 | 13.0497 ± 0.0005 Å |
| b | 16.2106 ± 0.0006 Å |
| c | 9.5283 ± 0.0003 Å |
| α | 90° |
| β | 94.782 ± 0.002° |
| γ | 90° |
| Cell volume | 2008.63 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0661 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180217 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/03. |
7110349.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 {}' |
7110349.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7110349.cif |
| 94645 | 2014-01-27 | cif/ Adding structures of 7110347, 7110348, 7110349 via cif-deposit CGI script. |
7110349.cif |
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Users of the data should acknowledge the original authors of the
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