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Information card for entry 4085090
Preview
| Coordinates | 4085090.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H38 Cl3 Ir N2 O2 P2 |
|---|---|
| Calculated formula | C45 H38 Cl3 Ir N2 O2 P2 |
| SMILES | [IrH]123(C(=O)c4ccccc4[P]2(c2ccccc2)c2ccccc2)C(c2c(cccc2)[P]3(c2ccccc2)c2ccccc2)(N(c2cccc[n]12)C)O.C(Cl)(Cl)Cl |
| Title of publication | On the Reactivity of Dihydridoirida-β-diketones with 2-Aminopyridines. Formation of Acylhydrido Complexes with New PCN Terdentate Ligands |
| Authors of publication | Zumeta, Itziar; Mendicute-Fierro, Claudio; Rodríguez-Diéguez, Antonio; Seco, José M.; Garralda, María A. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 1 |
| Pages of publication | 348 |
| a | 10.922 ± 0.0006 Å |
| b | 37.811 ± 0.0019 Å |
| c | 10.723 ± 0.0006 Å |
| α | 90° |
| β | 113.966 ± 0.001° |
| γ | 90° |
| Cell volume | 4046.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0409 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.0761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178739 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/50. |
4085090.cif |
| 130796 | 2015-02-04 | cif/ Updating files of 4085087, 4085088, 4085089, 4085090 Original log message: Adding full bibliography for 4085087--4085090.cif. |
4085090.cif |
| 129242 | 2014-12-30 | cif/ Adding structures of 4085087, 4085088, 4085089, 4085090 via cif-deposit CGI script. |
4085090.cif |
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Users of the data should acknowledge the original authors of the
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