Molecular and Electronic Structures of the Members of the Electron Transfer Series [Mn(bpy)3](n) (n = 2+, 1+, 0, 1-) and [Mn(tpy)2](m) (m = 4+, 3+, 2+, 1+, 0). An Experimental and Density Functional Theory Study.
Authors of publication
Wang, Mei; England, Jason; Weyhermüller, Thomas; Wieghardt, Karl
Journal of publication
Inorganic chemistry
Year of publication
2014
Journal volume
53
Journal issue
4
Pages of publication
2276 - 2287
a
12.841 ± 0.003 Å
b
17.827 ± 0.004 Å
c
18.182 ± 0.004 Å
α
90°
β
90°
γ
90°
Cell volume
4162.2 ± 1.6 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 2 K
Number of distinct elements
6
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
0.0662
Residual factor for significantly intense reflections
0.0409
Weighted residual factors for significantly intense reflections
0.0906
Weighted residual factors for all reflections included in the refinement
0.1027
Goodness-of-fit parameter for all reflections included in the refinement
