Synthesis, Structure, DNA Interaction, and SOD Activity of Three Nickel(II) Complexes Containing L-Phenylalanine Schiff Base and 1,10-Phenanthroline

Table 1

Crystallographic and structure refinement data for complexes 1, 2, and 3.

Complex	1	2	3
Empirical formula	C30H29N3O5Ni	C33H27N3O4Ni	C95H101N9O20Ni3
Formula weight	570.27	588.28	1864.98
Wavelength (Å)	0.71073	0.71073	0.71073
Crystal system	Monoclinic	Triclinic	Triclinic
Space group	C2/c	P-1	P-1
a (Å)	26.741(3)	10.8240(8)	12.7068(10)
b (Å)	18.1651(17)	11.9041(9)	13.5015(14)
c (Å)	11.8350(9)	13.0879(11)	29.9214(17)
α (°)	90	67.226(10)	83.667(2)
β (°)	108.528(2)	73.566(2)	82.7470(10)
γ (°)	90	64.094(10)	63.9790(10)
(Å^3)	5450.9(8)	1385.43(19)	4567.4(6)
Z	8	2	2
Dcalc (Mg·m^−3)	1.390	1.410	1.356
F(000)	2384	612	1956
Absorption coefficient (mm^−1)	0.756	0.744	0.687
Crystal size (mm)	0.43 × 0.38 × 0.35	0.23 × 0.20 × 0.12	0.25 × 0.21 × 0.18
θ range	2.66 to 25.02	2.19 to 25.01	2.57 to 25.02
Index ranges	–25 ≤ h ≤ 31	–12 ≤ h ≤ 12	–15 ≤ h ≤ 10
	–21 ≤ k ≤ 21	–14 ≤ k ≤ 11	–16 ≤ k ≤ 16
	–13 ≤ l ≤ 14	–15 ≤ l ≤ 13	–35 ≤ l ≤ 35
Reflections collected	13562	7109	29803
Unique reflections	4816	4791	16112
Rint	0.0432	0.0335	0.1085
Max/min transmission	0.7777, 0.7368	0.9160, 0.8475	0.8863, 0.8470
Data, restraint, parameters	4816, 3, 366	4791, 0, 363	16112, 2613, 1155
Goodness-of-fit on F^2	1.094	0.952	1.010
Final R indices (I > 2σ (I))	R1 = 0.0432, wR2 = 0.0946	R1 = 0.0566, wR2 = 0.1350	R1 = 0.0867, wR2 = 0.1790
R indices (all data)	R1 = 0.0930, wR2 = 0.1248	R1 = 0.0820, wR2 = 0.1456	R1 = 0.1954, wR2 = 0.2540
Largest diff. peak and hole (e·Å^−3)	0.392, −0.287	1.099, −0.500	0.788, −0.500