ENDOR characterization of an iron–alkene complex provides insight into a corresponding organometallic intermediate of nitrogenase
Authors of publication
Horitani, Masaki; Grubel, Katarzyna; McWilliams, Sean F.; Stubbert, Bryan D.; Mercado, Brandon Q.; Yu, Ying; Gurubasavaraj, Prabhuodeyara M.; Lees, Nicholas S.; Holland, Patrick L.; Hoffman, Brian M.
Journal of publication
Chem. Sci.
Year of publication
2017
a
15.3867 ± 0.0011 Å
b
20.3731 ± 0.0014 Å
c
22.3197 ± 0.0016 Å
α
90°
β
90.744 ± 0.004°
γ
90°
Cell volume
6996.1 ± 0.9 Å3
Cell temperature
93 ± 2 K
Ambient diffraction temperature
93 ± 2 K
Number of distinct elements
4
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/c 1
Hall space group symbol
-P 2ybc
Residual factor for all reflections
0.1351
Residual factor for significantly intense reflections
0.0655
Weighted residual factors for significantly intense reflections
0.152
Weighted residual factors for all reflections included in the refinement
0.1946
Goodness-of-fit parameter for all reflections included in the refinement
