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Information card for entry 4320157
Preview
| Coordinates | 4320157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H42 B F4 Ir3 N2 S4 |
|---|---|
| Calculated formula | C34 H42 B F4 Ir3 N2 S4 |
| SMILES | [Ir]13456([S]2[Ir]789%10([S](c%11[n]3c(S1)ccc%11)[Ir]13%11(Sc%12[n]8c2ccc%12)[CH]2=[CH]1CC[CH]3=[CH]%11CC2)[CH]1=[CH]9CC[CH]%10=[CH]7CC1)[CH]1=[CH]4CC[CH]5=[CH]6CC1.[B](F)(F)(F)[F-] |
| Title of publication | Synthesis of Paramagnetic Tetranuclear Rhodium and Iridium Complexes with the 2,6-Pyridinedithiolate Ligand. Redox-Induced Degradation to Diamagnetic Triiridium Compounds |
| Authors of publication | Miguel A. Casado; Jesús J. Pérez-Torrente; José A. López; Miguel A. Ciriano; Pablo J. Alonso; Fernando J. Lahoz; Luis A. Oro |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 4785 - 4792 |
| a | 7.9234 ± 0.0009 Å |
| b | 22.002 ± 0.004 Å |
| c | 19.786 ± 0.003 Å |
| α | 90° |
| β | 96.395 ± 0.014° |
| γ | 90° |
| Cell volume | 3427.8 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0861 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179304 (current) | 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 4/32/01. |
4320157.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320157.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320157.cif |
| 17056 | 2011-04-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4320157 via cif-deposit CGI script. |
4320157.cif |
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