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Information card for entry 4076175
Preview
| Coordinates | 4076175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H23 N O3 Ru |
|---|---|
| Calculated formula | C19 H23 N O3 Ru |
| SMILES | [Ru]12345678(C9C%10([CH]4=[CH]3[C]2(=[CH]19)OC)/C(=C(\OC)C)C(=O)N(C%10)C)[cH]1[cH]8[cH]7[cH]6[cH]51 |
| Title of publication | Influence of Halide Ion and Lewis Acid in the Demetalation of a Spirolactam Cyclohexadienyl Ruthenium Complex |
| Authors of publication | Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 22 |
| Pages of publication | 5424 |
| a | 12.8409 ± 0.0002 Å |
| b | 12.3144 ± 0.0002 Å |
| c | 11.4854 ± 0.0002 Å |
| α | 90° |
| β | 112.367 ± 0.001° |
| γ | 90° |
| Cell volume | 1679.52 ± 0.05 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0402 |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.0607 |
| Weighted residual factors for all reflections included in the refinement | 0.0676 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178650 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/61. |
4076175.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 {}' |
4076175.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4076175.cif |
| 50902 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4076172, 4076173, 4076174, 4076175 via cif-deposit CGI script. |
4076175.cif |
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Users of the data should acknowledge the original authors of the
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