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Information card for entry 2242008
Preview
| Coordinates | 2242008.cif |
|---|---|
| Structure factors | 2242008.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (2,2'-Bipyridyl)[2,6-bis(1-butyl-1<i>H</i>-benzimidazol-2-yl)pyridine]chloridoiridium(III) trifluoromethanesulfonate |
|---|---|
| Formula | C39 H37 Cl F6 Ir N7 O6 S2 |
| Calculated formula | C39 H37 Cl F6 Ir N7 O6 S2 |
| Title of publication | Crystal structure of (2,2'-bipyridyl)[2,6-bis(1-butyl-1<i>H</i>-benzimidazol-2-yl)pyridine]chloridoiridium(III) trifluoromethanesulfonate |
| Authors of publication | Smith, Victoria I.; Nozari, Mohammad; Zeller, Matthias; Addison, Anthony W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 127 - 132 |
| a | 10.7731 ± 0.0006 Å |
| b | 13.1932 ± 0.0006 Å |
| c | 17.0021 ± 0.0009 Å |
| α | 104.53 ± 0.002° |
| β | 96.3822 ± 0.0016° |
| γ | 110.836 ± 0.0015° |
| Cell volume | 2131.96 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0624 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.0762 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190359 (current) | 2017-01-11 | cif/ hkl/ Adding structures of 2242008 via cif-deposit CGI script. |
2242008.cif 2242008.hkl |
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Users of the data should acknowledge the original authors of the
structural data.