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Information card for entry 4317150
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Coordinates | 4317150.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | holssr16 |
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Formula | C37 H37 Cl F3 Fe N3 O4 S |
Calculated formula | C37 H37 Cl F3 Fe N3 O4 S |
Title of publication | Solution and Structural Characterization of Iron(II) Complexes with Ortho-Halogenated Phenolates: Insights Into Potential Substrate Binding Modes in Hydroquinone Dioxygenases |
Authors of publication | Sara S. Rocks; William W. Brennessel; Timothy E. Machonkin; Patrick L. Holland |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 10914 - 10929 |
a | 16.9571 ± 0.0017 Å |
b | 11.3491 ± 0.0011 Å |
c | 19.949 ± 0.002 Å |
α | 90° |
β | 112.264 ± 0.002° |
γ | 90° |
Cell volume | 3552.9 ± 0.6 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 8 |
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 | 0.1336 |
Residual factor for significantly intense reflections | 0.0702 |
Weighted residual factors for significantly intense reflections | 0.1842 |
Weighted residual factors for all reflections included in the refinement | 0.2328 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4317150.html
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structural data.