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Information card for entry 4078625
Preview
| Coordinates | 4078625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H28 N3 O P2 Rh S |
|---|---|
| Calculated formula | C36 H28 N3 O P2 Rh S |
| SMILES | [Rh]12([S](=O)(c3c([P]1(c1ccccc1)c1ccccc1)cccc3)c1c([P]2(c2ccccc2)c2ccccc2)cccc1)N=N#N |
| Title of publication | Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes |
| Authors of publication | Suess, Daniel L. M.; Peters, Jonas C. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 15 |
| Pages of publication | 5213 |
| a | 12.0674 ± 0.0004 Å |
| b | 12.7353 ± 0.0004 Å |
| c | 19.5111 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2998.5 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0527 |
| Weighted residual factors for all reflections included in the refinement | 0.0551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178675 (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 4/07/86. |
4078625.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 {}' |
4078625.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078625.cif |
| 66342 | 2012-09-09 | cif/ Adding structures of 4078623, 4078624, 4078625, 4078626, 4078627, 4078628, 4078629, 4078630, 4078631, 4078632, 4078633, 4078634, 4078635, 4078636, 4078637, 4078638, 4078639, 4078640 via cif-deposit CGI script. |
4078625.cif |
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Users of the data should acknowledge the original authors of the
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