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Information card for entry 4326984
Preview
Coordinates | 4326984.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50.87 H39.73 B Cl1.73 F3 Fe N6 O2 |
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Calculated formula | C50.867 H39.734 B Cl1.734 F3 Fe N6 O2 |
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 | 9.962 ± 0.0003 Å |
b | 33.2844 ± 0.001 Å |
c | 13.5814 ± 0.0004 Å |
α | 90° |
β | 94.637 ± 0.003° |
γ | 90° |
Cell volume | 4488.6 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.1107 |
Residual factor for significantly intense reflections | 0.0804 |
Weighted residual factors for significantly intense reflections | 0.1983 |
Weighted residual factors for all reflections included in the refinement | 0.2217 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4326984.html
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