DNA Binding Test, X-Ray Crystal Structure, Spectral Studies, TG-DTA, and Electrochemistry of [CoX₂(dmdphphen)] (Dmdphphen Is 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline, X = Cl, and NCS) Complexes

Table 1

Crystal data and structure refinement for ligand and complex 2.

	Complex 2
Empirical formula	C28H20N4S2Co
Formula weight	535.55
Temperature	293(2) K
Wavelength	1.54178 Å
Crystal system	Monoclinic
Space group
Unit cell dimensions	= 14.8373(12) Å; = 90^°; = 21.0942(11) Å; = 100.191(4)^°.; = 8.2470(6) Å; = 90^°.
Volume	2540.4(3) Å^3
	4
Density (calculated)	1.400 Mg/m^3
Absorption coefficient	7.017 mm^−1
	1100
Crystal size	0.30 × 0.25 × 0.15 mm^3
Theta range for data collection	3.03^° to 63.94^°
Index ranges	−15 ≤ ≤ 17, −21 ≤ ≤ 24, −9 ≤ ≤ 6
Reflections collected	8247
Independent reflections	3934 (int) = 0.0671
Refinement method	Full-matrix least-squares on
Data/restraints/parameters	3934/0/318
Goodness-of-fit on	1.047
Final indices > 2sigma()	= 0.0671, = 0.1910
indices (all data)	= 0.1715, = 0.2661
Largest diff. peak and hole	0.641 and −0.870 e⋅Å^−3