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Information card for entry 4105121
Preview
Coordinates | 4105121.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Fe2(O)(H2O)2BPG2DEV](ClO4)2 |
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Formula | C41 H44 Cl2 Fe2 N6 O21 |
Calculated formula | C41 H44 Cl2 Fe2 N6 O21.0004 |
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 | 37.31 ± 0.007 Å |
b | 22.077 ± 0.004 Å |
c | 13.469 ± 0.003 Å |
α | 90° |
β | 96.178 ± 0.003° |
γ | 90° |
Cell volume | 11030 ± 4 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1199 |
Residual factor for significantly intense reflections | 0.0674 |
Weighted residual factors for significantly intense reflections | 0.172 |
Weighted residual factors for all reflections included in the refinement | 0.2031 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4105121.html
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