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Information card for entry 4105122
Preview
Coordinates | 4105122.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Fe2(O)(O2CAriPrO)BPG2DEV](ClO4) |
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Formula | C55.5 H59.44 Cl2.56 Fe2 N6 O16.97 |
Calculated formula | C55.5 H59.443 Cl2.557 Fe2 N6 O16.9715 |
Title of publication | Modeling the Syn Disposition of Nitrogen Donors in Non-Heme Diiron Enzymes. Synthesis, Characterization, and Hydrogen Peroxide Reactivity of Diiron(III) Complexes with the Syn N-Donor Ligand H2BPG2DEV |
Authors of publication | Simone Friedle; Jeremy J. Kodanko; Anna J. Morys; Takahiro Hayashi; Pierre Moënne-Loccoz; Stephen J. Lippard |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 14508 - 14520 |
a | 33.486 ± 0.011 Å |
b | 17.521 ± 0.006 Å |
c | 38.95 ± 0.013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 22852 ± 13 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0993 |
Residual factor for significantly intense reflections | 0.0702 |
Weighted residual factors for significantly intense reflections | 0.1817 |
Weighted residual factors for all reflections included in the refinement | 0.2052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4105122.html
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