Information card for entry 4101750
| Formula |
C102 H112 Cl4 Fe4 N24 O24 |
| Calculated formula |
C102 H96 Cl4 Fe4 N24 O24 |
| Title of publication |
Regioselective arene hydroxylation mediated by a (mu-peroxo)diiron(III) complex: a functional model for toluene monooxygenase. |
| Authors of publication |
Yamashita, Mai; Furutachi, Hideki; Tosha, Takehiko; Fujinami, Shuhei; Saito, Wataru; Maeda, Yonezo; Takahashi, Kenji; Tanaka, Koji; Kitagawa, Teizo; Suzuki, Masatatsu |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2007 |
| Journal volume |
129 |
| Journal issue |
1 |
| Pages of publication |
2 - 3 |
| a |
14.539 ± 0.005 Å |
| b |
15.527 ± 0.006 Å |
| c |
16.016 ± 0.006 Å |
| α |
96.173 ± 0.003° |
| β |
111.734 ± 0.006° |
| γ |
116.84 ± 0.004° |
| Cell volume |
2827.3 ± 1.8 Å3 |
| Cell temperature |
123.2 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 significantly intense reflections |
0.0597 |
| Weighted residual factors for all reflections included in the refinement |
0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.456 |
| Diffraction radiation wavelength |
0.7107 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/4101750.html
