Table 1.

Main structure parameters of the optimized crystal of CuCOF and CuCOF-CN (length in Å, angle in º).

Parameter	CuCOF	CuCOF-CN
Symmetry group	P4/mmm	P4/mmm
a	20.192	20.197
b	20.192	20.197
c	10.000	10.000
α	90.0	90.0
β	90.0	90.0
γ	90.0	90.0
Cu-N	1.963	1.961
Width(Py)	2.195	2.197
Width(Ph of Pc)	2.381	2.373
Width(C4O2)	2.356	2.351
Width(Ph connector)	2.403	2.432
Height(Ph connector)	2.799	2.815