How Innocent are Potentially Redox Non-Innocent Ligands? Electronic Structure and Metal Oxidation States in Iron-PNN Complexes as a Representative Case Study.
Authors of publication
Butschke, Burkhard; Fillman, Kathlyn L.; Bendikov, Tatyana; Shimon, Linda J. W.; Diskin-Posner, Yael; Leitus, Gregory; Gorelsky, Serge I.; Neidig, Michael L.; Milstein, David
Journal of publication
Inorganic chemistry
Year of publication
2015
Journal volume
54
Journal issue
10
Pages of publication
4909 - 4926
a
37.294 ± 0.005 Å
b
8.036 ± 0.001 Å
c
21.344 ± 0.003 Å
α
90°
β
118.485 ± 0.005°
γ
90°
Cell volume
5622.3 ± 1.3 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 2 K
Number of distinct elements
6
Space group number
15
Hermann-Mauguin space group symbol
C 1 2/c 1
Hall space group symbol
-C 2yc
Residual factor for all reflections
0.079
Residual factor for significantly intense reflections
0.0407
Weighted residual factors for significantly intense reflections
0.0798
Weighted residual factors for all reflections included in the refinement
0.096
Goodness-of-fit parameter for all reflections included in the refinement
