Information card for entry 4348245
| Formula |
C24 H23 N5 |
| Calculated formula |
C24 H23 N5 |
| SMILES |
N(C(c1ncccc1)Cc1ncccc1)(Cc1ncccc1)Cc1ncccc1 |
| Title of publication |
Formation, Characterization, and Reactivity of a Nonheme Oxoiron(IV) Complex Derived from the Chiral Pentadentate Ligand asN4Py. |
| Authors of publication |
Lakk-Bogáth, Dóra; Csonka, Róbert; Speier, Gábor; Réglier, Marius; Simaan, A. Jalila; Naubron, Jean-Valère; Giorgi, Michel; Lázár, Károly; Kaizer, József |
| Journal of publication |
Inorganic chemistry |
| Year of publication |
2016 |
| Journal volume |
55 |
| Journal issue |
20 |
| Pages of publication |
10090 - 10093 |
| a |
8.6788 ± 0.0006 Å |
| b |
8.8994 ± 0.0004 Å |
| c |
13.9946 ± 0.0009 Å |
| α |
102.349 ± 0.005° |
| β |
104.313 ± 0.006° |
| γ |
95.215 ± 0.005° |
| Cell volume |
1011.24 ± 0.11 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1081 |
| Residual factor for significantly intense reflections |
0.0582 |
| Weighted residual factors for significantly intense reflections |
0.109 |
| Weighted residual factors for all reflections included in the refinement |
0.1281 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.088 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4348245.html
