Information card for entry 7057837
| Formula |
C38 H30 F6 Fe N5 O6.5 S2 |
| Calculated formula |
C38 H30 F6 Fe N5 O6.5 S2 |
| Title of publication |
High-spin enforcement in first-row metal complexes of a constrained polyaromatic ligand: synthesis, structure, and properties |
| Authors of publication |
Chen, Lizhu; Dulaney, Hunter A.; Wilkins, Branford O.; Farmer, Sarah; Zhang, Yanbing; Fronczek, Frank R.; Jurss, Jonah W. |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2018 |
| Journal volume |
42 |
| Journal issue |
23 |
| Pages of publication |
18667 |
| a |
9.1892 ± 0.0002 Å |
| b |
13.9385 ± 0.0003 Å |
| c |
15.1654 ± 0.0003 Å |
| α |
86.123 ± 0.001° |
| β |
84.035 ± 0.001° |
| γ |
81.059 ± 0.001° |
| Cell volume |
1905.83 ± 0.07 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
7 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0288 |
| Residual factor for significantly intense reflections |
0.027 |
| Weighted residual factors for significantly intense reflections |
0.073 |
| Weighted residual factors for all reflections included in the refinement |
0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.949 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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