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Information card for entry 4079421
Preview
| Coordinates | 4079421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H45 Cl4 Fe Ir N O2 P S |
|---|---|
| Calculated formula | C41 H45 Cl4 Fe Ir N O2 P S |
| SMILES | [Ir]1234(Cl)(Cl)([P]([c]56[cH]7[Fe]89%10%11%12%135([c]6([cH]8[cH]79)CNS(=O)(=O)c5ccc(cc5)C)[cH]5[cH]%10[cH]%11[cH]%12[cH]%135)(c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.C(Cl)Cl |
| Title of publication | Coordination Chemistry of New Chiral P,N Ferrocenyl Ligands with Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes |
| Authors of publication | Wei, Muh-Mei; Garc\?ía-Melchor, Max; Daran, Jean-Claude; Audin, Catherine; Lledós, Agustí; Poli, Rinaldo; Deydier, Eric; Manoury, Eric |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 18 |
| Pages of publication | 6669 |
| a | 9.9185 ± 0.0002 Å |
| b | 19.7296 ± 0.0004 Å |
| c | 10.2736 ± 0.0002 Å |
| α | 90° |
| β | 98.624 ± 0.002° |
| γ | 90° |
| Cell volume | 1987.69 ± 0.07 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0285 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0517 |
| Weighted residual factors for all reflections included in the refinement | 0.0528 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178683 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/94. |
4079421.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079421.cif |
| 72434 | 2013-01-21 | cif/ Adding structures of 4079417, 4079418, 4079419, 4079420, 4079421, 4079422 via cif-deposit CGI script. |
4079421.cif |
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