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. Author manuscript; available in PMC: 2015 Jan 1.
Published in final edited form as: J Inorg Biochem. 2013 Oct 14;130:103–111. doi: 10.1016/j.jinorgbio.2013.10.008

Table 2.

Selected Bond Lengths (Å) and Bond Angles (deg) for Ruthenium Complexes

[Ru(bpy)2(66′bpy(OH)2)]2+ [Ru(bpy)2(66′bpy(O−)2)]
Crystal Theoretical Crystal Theoretical
Bond Lengths
Ru(1)-N(1) 2.091(2) 2.156 2.0969(15) 2.100
Ru(1)-N(2) 2.094(2) 2.171 2.1020(16) 2.093
Ru(1)-N(3) 2.046(2) 2.098 2.0439(14) 2.076
Ru(1)-N(4) 2.043(2) 2.086 2.0567(15) 2.094
Ru(1)-N(5) 2.066(2) 2.091 2.0511(14) 2.061
Ru(1)-N(6) 2.053(2) 2.083 2.0467(16) 2.095
C(1)-O(1) 1.340(3) 1.347 1.249(3) 1.247
C(10)-O(2) 1.329(3) 1.346 1.251(2) 1.248
Bond Angles
N(1)-Ru(1)-N(2) 77.37(9) 76.96 77.83(7) 78.03
N(1)-Ru(1)-N(3) 96.25(9) 96.13 95.85(6) 94.20
N(1)-Ru(1)-N(4) 173.93(9) 173.58 173.38(6) 171.22
N(1)-Ru(1)-N(5) 86.64(9) 89.05 88.00(6) 89.79
N(1)-Ru(1)-N(6) 96.64(8) 100.66 99.00(7) 98.74