Information card for entry 4101749
| Formula |
C70 H74 Cl8 Fe2 N10 O15 |
| Calculated formula |
C70 H63 Cl8 Fe2 N10 O15 |
| 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 |
12.497 ± 0.002 Å |
| b |
22.823 ± 0.003 Å |
| c |
13.582 ± 0.002 Å |
| α |
90° |
| β |
108.548 ± 0.001° |
| γ |
90° |
| Cell volume |
3672.6 ± 0.9 Å3 |
| Cell temperature |
123.2 K |
| Number of distinct elements |
6 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for significantly intense reflections |
0.067 |
| Weighted residual factors for all reflections included in the refinement |
0.0894 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.416 |
| Diffraction radiation wavelength |
0.7107 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/4101749.html
