Table 6. Comparative Bond Lengths (Å) and Bond Angles (deg) of Complexes I–III.

atoms numbering as in Figure 2	practical bond lengths	theoretical bond lengths	atoms numbering as in Figure 2	practical bond angles	theoretical bond angles
Complex I
U(1)–O(1)	1.762(7)	1.81052	O(2)–U(1)–O(1)	178.8(4)	177.56383
U(1)–O(5)	2.337(8)	2.37473	O(1)–U(1)–O(7)	92.6(3)	86.18490
U(1)–O(6)	2.416(7)	2.40007	O(2)–U(1)–O(3)	88.0(3)	91.38749
U(1)–O(2)	1.756(7)	1.79245	O(5)–U(1)–O(7)	72.1(3)	72.62033
U(1)–O(3)	2.366(8)	2.35395	O(5)–U(1)–O(6)	71.2(3)	69.60423
U(1)–O(4)	2.411(8)	2.40833	O(3)–U(1)–O(6)	75.1(3)	75.40828
U(1)–O(7)	2.393(7)	2.37527	O(3)–U(1)–O(4)	71.3(3)	70.10830
			O(7)–U(1)–O(4)	70.4(3)	72.60965
Complex II
U(1)–O(1)	1.7722(15)	1.79267	O(1)–U(1)–O(2)	179.11(8)	178.03015
U(1)–O(5)	2.3833(13)	2.43056	O(1)–U(1)–O(7)	88.95(7)	92.46929
U(1)–O(6)	2.3477(14)	2.43472	O(2)–U(1)–O(7)	90.24(7)	86.15223
U(1)–O(2)	1.7746(15)	2.36230	O(5)–U(1)–O(7)	70.06(5)	70.08910
U(1)–O(3)	2.3666(14)	1.79469	O(6)–U(1)–O(5)	71.82(5)	70.26160
U(1)–O(4)	2.3312(14)	2.37222	O(6)–U(1)–O(3)	74.20(5)	77.21527
U(1)–O(7)	2.4300(15)	2.36815	O(4)–U(1)–O(3)	71.35(5)	70.38770
			O(4)–U(1)–O(7)	72.54(5)	72.63012
Complex III
U(1)–O(1)	1.763(4)	1.81085	O(2)–U(1)–O(1)	178.62(18)	177.48009
U(1)–O(7)	2.385(4)	2.37591	O(1)–U(1)–O(7)	90.05(16)	86.12653
U(1)–O(3)	2.347(4)	2.37660	O(2)–U(1)–O(7)	90.76(18)	91.35968
U(1)–O(4)	2.385(4)	2.39776	O(3)–U(1)–O(7)	71.41(13)	72.57717
U(1)–O(2)	1.759(4)	1.79277	O(3)–U(1)–O(4)	71.83(13)	69.60588
U(1)–O(5)	2.348(4)	2.35173	O(5)–U(1)–O(4)	71.93(13)	75.33490
O(5)–C(6)	2.375(4)	2.40816	O(5)–U(1)–O(6)	71.55(13)	70.13616
			O(6)–U(1)–O(7)	73.34(13)	72.68836