Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.
Authors of publication
Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.
Journal of publication
Journal of the American Chemical Society
Year of publication
2018
Journal volume
140
Journal issue
44
Pages of publication
14807 - 14822
a
16.8056 ± 0.0003 Å
b
12.9548 ± 0.0002 Å
c
25.241 ± 0.0005 Å
α
90°
β
90°
γ
90°
Cell volume
5495.3 ± 0.17 Å3
Cell temperature
110 ± 2 K
Ambient diffraction temperature
110 ± 2 K
Number of distinct elements
7
Space group number
60
Hermann-Mauguin space group symbol
P b c n
Hall space group symbol
-P 2n 2ab
Residual factor for all reflections
0.0352
Residual factor for significantly intense reflections
0.0301
Weighted residual factors for significantly intense reflections
0.0715
Weighted residual factors for all reflections included in the refinement
0.0746
Goodness-of-fit parameter for all reflections included in the refinement
