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Information card for entry 4312372
Preview
| Coordinates | 4312372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | tetrakis(mu2-trifluoroacetato-O,O')-bis(diphenyl sulfone-O)-di-rhodium(II,II)), dichloromethane solvate |
|---|---|
| Formula | C34 H24 Cl4 F12 O12 Rh2 S2 |
| Calculated formula | C34 H24 Cl4 F12 O12 Rh2 S2 |
| SMILES | C1(C(F)(F)F)=[O][Rh]234([O]=C(C(F)(F)F)O[Rh]4(O1)([O]=C(O3)C(F)(F)F)([O]=C(C(F)(F)F)O2)[O]=S(c1ccccc1)(=O)c1ccccc1)[O]=S(c1ccccc1)(=O)c1ccccc1.C(Cl)Cl.C(Cl)Cl |
| Title of publication | The First Coordination Complexes of Selenones: A Structural Comparison with Complexes of Sulfones |
| Authors of publication | Evgeny V. Dikarev; Renee Y. Becker; Eric Block; Zhixing Shan; R. Curtis Haltiwanger; Marina A. Petrukhina |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 7098 - 7105 |
| a | 8.3668 ± 0.0007 Å |
| b | 9.4711 ± 0.0008 Å |
| c | 14.2118 ± 0.0012 Å |
| α | 86.226 ± 0.001° |
| β | 73.887 ± 0.001° |
| γ | 88.154 ± 0.001° |
| Cell volume | 1079.48 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.04 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| 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 |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4312372.cif |
| 179162 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/23. |
4312372.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 {}' |
4312372.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312372.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312372.cif |
| 11788 | 2011-02-22 | cif/4/ Redepositing CIFs that were formally processed with an old version of cif_fix_values script. |
4312372.cif |
| 5385 | 2011-01-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4312372 via cif-deposit CGI script. |
4312372.cif |
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