Skip to main content
. Author manuscript; available in PMC: 2014 Feb 1.
Published in final edited form as: Chem Sci. 2013 Feb;4(2):717–726. doi: 10.1039/C2SC21400H

Table 2.

Selected metrical parameters for the [CaII(OH)-GaIII]+ complex.

Bond Distances (Å)
Ga1—N1 2.209(2)
Ga1—N2 1.986(2)
Ga1—N3 1.986(2)
Ga1—N4 2.010(2)
Ga1—O7 1.847(2)
O7···O5 2.688(6)
Ca1—O7 2.296(2)
Ca1···O1 2.344(2)
Ca1···O3 2.385(2)
Ga1···Ca1 3.712(2)
Avg M1—Ocrown 2.486(2)
d[Ga––Neq] 0.335
d[M1—Ocrown] 1.156

Bond Angles (°)
O7-Ga1-N1 173.31(8)
O7-Ga1-N2 96.82(8)
O7-Ga1-N3 105.22(8)
O7-Ga1-N4 97.62(8)
N1-Ga1-N2 79.93(8)
N1-Ga1-N3 81.44(8)
N1-Ga1-N4 79.81(9)
N2-Ga1-N3 111.47(9)
N3-Ga1-N4 114.51(9)
N2-Ga1-N4 125.65(10)
Ga1-O7-Ca1 126.94(9)
τ value 0.794