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Information card for entry 1550888
Preview
| Coordinates | 1550888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H43 B Cl2 F12 Ir N6 P |
|---|---|
| Calculated formula | C51.001 H43.002 B Cl2.002 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 | 45.386 ± 0.006 Å |
| b | 11.4399 ± 0.0014 Å |
| c | 20.573 ± 0.003 Å |
| α | 90° |
| β | 102.781 ± 0.001° |
| γ | 90° |
| Cell volume | 10417 ± 2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0675 |
| Residual factor for significantly intense reflections | 0.0622 |
| Weighted residual factors for significantly intense reflections | 0.1508 |
| Weighted residual factors for all reflections included in the refinement | 0.1538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.226 |
| 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. |
1550888.cif |
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Users of the data should acknowledge the original authors of the
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