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Information card for entry 4324427
Preview
| Coordinates | 4324427.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H32 F6 N12 O6 Re2 S2 |
|---|---|
| Calculated formula | C22 H32 F6 N12 O6 Re2 S2 |
| SMILES | C1CN2C3=[N]1[Re]145(OS(=O)(=O)C(F)(F)F)[N]6=C7N(CCN7CC6)[Re]5([N]5=C6N1CCN6CC5)([N]1=C5N4CCN5CC1)(N3CC2)OS(=O)(=O)C(F)(F)F |
| Title of publication | Tuning the Electrochemistry of Re26+ Species with Divergent Bicyclic Guanidinate Ligands and by Modification of Axial π Interactions |
| Authors of publication | Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 1258 - 1264 |
| a | 8.637 ± 0.004 Å |
| b | 15.902 ± 0.007 Å |
| c | 14.255 ± 0.005 Å |
| α | 90° |
| β | 119.5 ± 0.02° |
| γ | 90° |
| Cell volume | 1704 ± 1.3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0903 |
| Residual factor for significantly intense reflections | 0.0823 |
| Weighted residual factors for significantly intense reflections | 0.1767 |
| Weighted residual factors for all reflections included in the refinement | 0.1784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.785 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4324427.cif |
| 179347 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/44. |
4324427.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324427.cif |
| 41135 | 2012-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4324427 via cif-deposit CGI script. |
4324427.cif |
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Users of the data should acknowledge the original authors of the
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