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Information card for entry 4326983
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Coordinates | 4326983.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H52.5 B Fe N6.5 O2.5 |
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Calculated formula | C56 H52.5 B Fe N6.5 O2.5 |
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 | 9.75151 ± 0.00012 Å |
b | 35.2674 ± 0.0004 Å |
c | 13.67554 ± 0.00017 Å |
α | 90° |
β | 94.0112 ± 0.0011° |
γ | 90° |
Cell volume | 4691.64 ± 0.1 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
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 | 0.0547 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0673 |
Weighted residual factors for all reflections included in the refinement | 0.071 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.837 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4326983.html
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