Spectroscopic, Electrochemical, and In Silico Characterization of Complex Formed between 2-Ferrocenylbenzoic Acid and DNA

Table 1

Crystal data and structure refinement parameters for FcOH.

Crystal parameters	Value	Crystal parameters	Value
Empirical formula	C17H14FeO2	Formula weight	306.14
Temperature (K)	100	Wavelength ()	0.71073
Crystal system	Triclinic	Space group	P-1
Density (g/cm^3)	1.539	Crystal size (mm^3)	0.22 0.20 0.04
(),	1320.98 (), 4	Total reflections	11405
range (°)	1.72 to 28.25	Mu (mm^−1)	1.138
Goodness-of-fit	0.999	indices (all data)	= 0.0638, = 0.1112
Unit cell; dimensions
(); (); ()	7.8626 (); 12.2799 (); 14.2505 ()	Final indices	= 0.0502, = 0.1044
(°); (°); (°)	99.0390 (); 95.4080 (); 101.3690 ()	Index ranges	−10 10; −16 16; −18 18