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Information card for entry 4116111
Preview
Coordinates | 4116111.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H30 Fe2 N6 O10 |
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Calculated formula | C30 H30 Fe2 N6 O10 |
SMILES | c1cccc2[n]1[Fe]13(OC(=O)c4cccc[n]14)([O]=CN(C)C)[O](C2=O)[Fe]12([n]4ccccc4C(=O)O1)([n]1ccccc1C(=O)[O]32)[O]=CN(C)C |
Title of publication | Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals |
Authors of publication | Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2000 |
Journal volume | 122 |
Pages of publication | 7503 - 7517 |
a | 9.589 ± 0.003 Å |
b | 14.297 ± 0.005 Å |
c | 12.09 ± 0.003 Å |
α | 90° |
β | 93.04 ± 0.02° |
γ | 90° |
Cell volume | 1655.1 ± 0.9 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0835 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for significantly intense reflections | 0.1379 |
Weighted residual factors for all reflections included in the refinement | 0.1645 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 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/4116111.html
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Users of the data should acknowledge the original authors of the
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