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Information card for entry 7716822
Preview
| Coordinates | 7716822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H23 B Cl3 F4 Ir N4 S2 |
|---|---|
| Calculated formula | C31 H23 B Cl3 F4 Ir N4 S2 |
| Title of publication | 2-Phenylbenzothiazolyl iridium complexes as inhibitors and probes of amyloid β aggregation. |
| Authors of publication | Terpstra, Karna; Huang, Yiran; Na, Hanah; Sun, Liang; Gutierrez, Citlali; Yu, Zhengxin; Mirica, Liviu M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 34 |
| Pages of publication | 14258 - 14264 |
| a | 8.7808 ± 0.0002 Å |
| b | 11.9226 ± 0.0003 Å |
| c | 15.5911 ± 0.0004 Å |
| α | 94.55° |
| β | 92.96° |
| γ | 93.46° |
| Cell volume | 1621.51 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0259 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0719 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294592 (current) | 2024-09-06 | cif/ Updating files of 7716822 Original log message: Adding full bibliography for 7716822.cif. |
7716822.cif |
| 294043 | 2024-08-08 | cif/ Adding structures of 7716822 via cif-deposit CGI script. |
7716822.cif |
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Users of the data should acknowledge the original authors of the
structural data.