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Information card for entry 4101750
Preview
Coordinates | 4101750.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C102 H112 Cl4 Fe4 N24 O24 |
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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 |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4101750.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4101750.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101750.cif |
22679 | 2011-07-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4101747, 4101748, 4101749, 4101750 via cif-deposit CGI script. |
4101750.cif |
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Users of the data should acknowledge the original authors of the
structural data.