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Information card for entry 4310960
Preview
| Coordinates | 4310960.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Bis((tetrakis(mu2-trifluoroacetato-O,O')-dirhodium(II,II)- acetone-O) |
|---|---|
| Formula | C22 H12 F24 O18 Rh4 |
| Calculated formula | C22 H12 F24 O18 Rh4 |
| SMILES | [Rh]1234([Rh]5([O]=C(O1)C(F)(F)F)([O]([Rh]1678[Rh]([O]=C(O1)C(F)(F)F)([O]=C([O]56)C(F)(F)F)(OC(=[O]7)C(F)(F)F)([O]=C(O8)C(F)(F)F)[O]=C(C)C)C(=[O]2)C(F)(F)F)(OC(=[O]3)C(F)(F)F)[O]=C(O4)C(F)(F)F)[O]=C(C)C |
| Title of publication | On the Road to a Termolecular Complex with Acetone: A Heterometallic Supramolecular Network {[Rh2(O2CCF3)4].μ2-OCMe2.[Cu4(O2CCF3)4]} |
| Authors of publication | Evgeny V. Dikarev; Kristian W. Andreini; Marina A. Petrukhina |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 3219 - 3224 |
| a | 17.789 ± 0.0007 Å |
| b | 8.6834 ± 0.0004 Å |
| c | 26.3947 ± 0.0011 Å |
| α | 90° |
| β | 104.546 ± 0.001° |
| γ | 90° |
| Cell volume | 3946.5 ± 0.3 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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. |
4310960.cif |
| 179148 | 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 4/31/09. |
4310960.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4310960.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310960.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310960.cif |
| 11788 | 2011-02-22 | cif/4/ Redepositing CIFs that were formally processed with an old version of cif_fix_values script. |
4310960.cif |
| 2452 | 2010-11-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4310960 via cif-deposit CGI script. |
4310960.cif |
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Users of the data should acknowledge the original authors of the
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