Information card for entry 7719971
| Formula |
C57.7 H50.4 Cl4.4 Ir N7 O4 |
| Calculated formula |
C56.7 H49.4 Cl2.4 Ir N7 O4 |
| Title of publication |
Structure–activity insights into Benzimidazole-based Ir(III) cyclometallated complexes for cancer therapy |
| Authors of publication |
Fernández-Moreira, Vanesa; Morales-Pioz, Eva; Martínez-Estévez, Mónica; Benedí Visiedo, Andrea; Tejera-Ruiz, María; Marzo, Isabel; Gimeno, M. Concepción; Vazquez-Lopez, Ezequiel M.; García-Fontán, Soledad |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2025 |
| a |
23.908 ± 0.003 Å |
| b |
16.4721 ± 0.0015 Å |
| c |
30.381 ± 0.003 Å |
| α |
90° |
| β |
108.818 ± 0.004° |
| γ |
90° |
| Cell volume |
11325 ± 2 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
6 |
| 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 |
0.0921 |
| Residual factor for significantly intense reflections |
0.0788 |
| Weighted residual factors for significantly intense reflections |
0.1903 |
| Weighted residual factors for all reflections included in the refinement |
0.2028 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.072 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7719971.html
