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Information card for entry 7037949
Preview
| Coordinates | 7037949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (?5-pentamethylcyclopentadienyl){ (N1-(7-chloroquinolin-4-yl)-N2-(pyridin-2-ylmethylene)ethane-1,2-diamine)}chloroiridium(III) chloride |
|---|---|
| Formula | C27 H36 Cl3 Ir N4 O3 |
| Calculated formula | C27 H36 Cl3 Ir N4 O3 |
| SMILES | [Ir]12345(Cl)([n]6ccccc6C=[N]1CCNc1ccnc6cc(Cl)ccc16)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Cl-].O.O.O |
| Title of publication | Pentamethylcyclopentadienyl-rhodium and iridium complexes containing (N^N and N^O) bound chloroquine analogue ligands: synthesis, characterization and antimalarial properties. |
| Authors of publication | Ekengard, Erik; Kumar, Kamlesh; Fogeron, Thibault; de Kock, Carmen; Smith, Peter J.; Haukka, Matti; Monari, Magda; Nordlander, Ebbe |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 9 |
| Pages of publication | 3905 - 3917 |
| a | 11.5226 ± 0.001 Å |
| b | 11.8 ± 0.0009 Å |
| c | 12.6405 ± 0.0008 Å |
| α | 92.389 ± 0.006° |
| β | 98.09 ± 0.006° |
| γ | 118.661 ± 0.008° |
| Cell volume | 1481.3 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0607 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0603 |
| Weighted residual factors for all reflections included in the refinement | 0.0649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177855 (current) | 2016-03-05 | cif/ Updating files of 7037948, 7037949, 7037950 Original log message: Adding full bibliography for 7037948--7037950.cif. |
7037949.cif |
| 174405 | 2016-01-13 | cif/ Adding structures of 7037948, 7037949, 7037950 via cif-deposit CGI script. |
7037949.cif |
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