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Information card for entry 1567532
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| Coordinates | 1567532.cif |
|---|---|
| Structure factors | 1567532.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate |
|---|---|
| Formula | C34 H24 F10 Ir N4 O2 P |
| Calculated formula | C34 H24 F10 Ir N4 O2 P |
| Title of publication | Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate |
| Authors of publication | Shevlin, Madelyn R.; Stumbo, Emily E.; McMillen, Colin D.; Pienkos, Jared A. |
| Journal of publication | IUCrData |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 8 |
| Pages of publication | x220830 |
| a | 41.574 ± 0.003 Å |
| b | 8.6065 ± 0.0007 Å |
| c | 18.2384 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6525.8 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277425 (current) | 2022-08-27 | cif/ hkl/ Adding structures of 1567532 via cif-deposit CGI script. |
1567532.cif 1567532.hkl |
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