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Information card for entry 1550887
Preview
| Coordinates | 1550887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H39 B F12 Ir N6 P |
|---|---|
| Calculated formula | C49 H39 B F12 Ir N6 P |
| Title of publication | Cyclometalated Iridium-BODIPY Ratiometric O2 Sensors |
| Authors of publication | Choung, Ku Sun; Marroquin, Karen; Teets, Thomas S. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 18.512 ± 0.005 Å |
| b | 18.686 ± 0.005 Å |
| c | 32.097 ± 0.008 Å |
| α | 90° |
| β | 91.307 ± 0.003° |
| γ | 90° |
| Cell volume | 11100 ± 5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1109 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.1999 |
| Weighted residual factors for all reflections included in the refinement | 0.2417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214639 (current) | 2019-04-16 | cif/ Adding structures of 1550887, 1550888, 1550889 via cif-deposit CGI script. |
1550887.cif |
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Users of the data should acknowledge the original authors of the
structural data.