. Author manuscript; available in PMC: 2012 Mar 1.

Published in final edited form as: J Porphyr Phthalocyanines. 2011 Mar 1;15(5-6):373–381. doi: 10.1142/S1088424611003112

Table 1.

Brief Crystallographic Data and Data Collection Parameters for [Cu(2,7,12-trioxoOEHP)][SbCl₆] and [Cu(2,7-dioxoOEiBC)][SbCl₆].

	[Cu(2,7,12-trioxoOEHP)]-[SbCl₆]·1.25(CH₂Cl₂)	[Cu(2,7-dioxoOEiBC)]-[SbCl₆]·0.5CHCl₃
formula	CuN₄C_37.25O₃H_46.5SbCl_8.5	CuN₄C_36.5O₂H_44.5SbCl_7.5
FW, amu	1077.34	1022.43
a, Å	31.085 (14)	9.655(4)
b, Å	-	20.592(8
c, Å	9.410 (4)	43.347(17)
β, deg	-	89.97(1)
V, Å³	9093 (7)	8618(8)
space group	P4₂/n	P2₁/n
Z	8	8
D_c, g/cm³	1.574	1.576
F(000)	4335	4120
μ, mm^–1	1.601	1.622
absorption correction	SADABS	DIFABS
$radiation, MoK α, \overset{‒}{λ}$	0.71073 Å	0.71073 Å
temperature, K	127(2)	100(2)
total data collected	28222	63639
unique data	8981 (R_int = 0.0544)	15176 (R_int = 0.035)
unique observed data [I > 2σ(I)]	7338	11785
refinement method	Full-matrix least-squares on F²
final R indices [I > 2σ(I)]	R₁ = 0.0397, wR₂ = 0.1000	R₁ = 0.0525, wR₂ = 0.0948
final R indices (all data)	R₁ = 0.0553, wR₂ = 0.1171	R₁ = 0.0753, wR₂ = 0.1145