Information card for entry 7252051
| Formula |
C49.8 H45.2 Fe N6 O11.8 S2 |
| Calculated formula |
C49.8 H45.2 Fe N6 O11.8 S2 |
| Title of publication |
Crystal engineering of p-sulfocinnamic acid into mononuclear cationic Fe(ii), Co(ii) and Fe(iii) complexes |
| Authors of publication |
Li, Xiaochun; Wong, Joanne W. L.; Wang, Mengmeng; Draoui, Youssef; Wolff, Mariusz; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann |
| Journal of publication |
CrystEngComm |
| Year of publication |
2026 |
| a |
22.629 ± 0.006 Å |
| b |
12.037 ± 0.002 Å |
| c |
18.248 ± 0.005 Å |
| α |
90° |
| β |
101.81 ± 0.03° |
| γ |
90° |
| Cell volume |
4865 ± 2 Å3 |
| Cell temperature |
297 ± 2 K |
| Ambient diffraction temperature |
297 ± 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 |
0.0834 |
| Residual factor for significantly intense reflections |
0.0685 |
| Weighted residual factors for significantly intense reflections |
0.1699 |
| Weighted residual factors for all reflections included in the refinement |
0.1816 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.082 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7252051.html
