Information card for entry 7252055
| Formula |
C31 H33 Fe N5 O13 S2 |
| Calculated formula |
C31 H33 Fe N5 O13 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 |
8.10565 ± 0.00014 Å |
| b |
8.25059 ± 0.00019 Å |
| c |
33.4784 ± 0.0008 Å |
| α |
90.6588 ± 0.0019° |
| β |
90.3372 ± 0.0017° |
| γ |
97.2798 ± 0.0017° |
| Cell volume |
2220.66 ± 0.08 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0715 |
| Residual factor for significantly intense reflections |
0.0683 |
| Weighted residual factors for significantly intense reflections |
0.1802 |
| Weighted residual factors for all reflections included in the refinement |
0.182 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.091 |
| 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/7252055.html
