Selected bond distances (Å) for complexes 1 and 2.

Bond distances	1		2
	X-Ray	DFT	X-Ray	DFT
Cu1–N1	2.024(4)	2.091	2.048(18)	2.118
Cu1–N2	1.976(4)	2.014	2.013(18)	2.091
Cu1–N3	2.024(4)	2.089	2.004(17)	2.087
Cu1–O3	2.254(3)	2.301	2.472(15)	2.541
Cu1–O4	1.947(3)	2.007	1.928(15)	2.010
Cu1–O5	2.508(3)	2.596	2.338(16)	2.410