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Information card for entry 4326987
Preview
Coordinates | 4326987.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H27 Cl2 F6 Fe N6 O5 P S |
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Calculated formula | C34 H27 Cl2 F6 Fe N6 O5 P S |
Title of publication | Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad |
Authors of publication | Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 11978 - 11989 |
a | 10.9737 ± 0.0003 Å |
b | 12.6383 ± 0.0003 Å |
c | 14.6113 ± 0.0003 Å |
α | 85.8018 ± 0.0019° |
β | 71.277 ± 0.002° |
γ | 87.183 ± 0.002° |
Cell volume | 1913.33 ± 0.08 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0477 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0998 |
Weighted residual factors for all reflections included in the refinement | 0.1036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.7107 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/4326987.html
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