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Information card for entry 7001297
Preview
| Coordinates | 7001297.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H46 Cl2 Ir2 N4 |
|---|---|
| Calculated formula | C34 H46 Cl2 Ir2 N4 |
| SMILES | C1(N(C=CN1CC)Cc1cccc(c1)CN1C(N(C=C1)CC)=[Ir]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl)=[Ir]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl |
| Title of publication | A new stable CNHC⁁CH⁁CNHCN-heterocyclic dicarbene ligand: its mono- and dinuclear Ir(i) and Ir(i)‒Rh(i) complexes |
| Authors of publication | Raynal, Matthieu; Cazin, Catherine S. J.; Vallée, Christophe; Olivier-Bourbigou, Hélène; Braunstein, Pierre |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 19 |
| Pages of publication | 3824 - 3832 |
| a | 10.552 ± 0.0008 Å |
| b | 11.066 ± 0.0008 Å |
| c | 15.087 ± 0.0012 Å |
| α | 101.543 ± 0.005° |
| β | 98.061 ± 0.004° |
| γ | 101.036 ± 0.003° |
| Cell volume | 1664.7 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0727 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179709 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/12. |
7001297.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001297.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001297.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001297.cif |
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