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Information card for entry 2203685
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| Coordinates | 2203685.cif |
|---|---|
| Structure factors | 2203685.hkl |
| Original IUCr paper | HTML |
| Formula | C20 H18 Cl2 F6 Ir N6 P |
|---|---|
| Calculated formula | C20 H18 Cl2 F6 Ir N6 P |
| SMILES | [Ir]12(Cl)(Cl)([n]3ccccc3Nc3[n]1cccc3)[n]1ccccc1Nc1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | <i>cis</i>-Dichlorobis(di-2-pyridylamine)iridium(III) hexafluorophosphate |
| Authors of publication | Yoshikawa, Naokazu; Sakamoto, Jun; Kanehisa, Nobuko; Kai, Yasushi; Takashima, Hiroshi; Tsukahara, Keiichi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 5 |
| Pages of publication | m546 - m547 |
| a | 7.692 ± 0.0008 Å |
| b | 12.94 ± 0.001 Å |
| c | 13.229 ± 0.001 Å |
| α | 68.958 ± 0.003° |
| β | 75.775 ± 0.004° |
| γ | 79.76 ± 0.006° |
| Cell volume | 1185.41 ± 0.18 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.719 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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