Synthesis, Characterization, and Biological Studies of a Piperidinyl Appended Dipicolylamine Ligand and Its Rhenium Tricarbonyl Complex as Potential Therapeutic Agents for Human Breast Cancer

Table 1

Crystal data and structure refinement for N(SO₂pip)dpa and [Re(CO)₃(N(SO₂pip)dpa)]⁺.

Crystal data	N(SO2pip)dpa	[Re(CO)3(N(SO2pip)dpa)]^+
Empirical formula	C17H22N4O2S	C20H22N4O5ReS·BF40.682(CH3OH)·0.318(H2O)
Mr	346.44	731.03
Crystal system	Triclinic	Monoclinic
Space group
Unit cell dimensions
(Å)	8.6557 (3)	10.8932 (4)
(Ǻ)	10.1132 (3)	11.7517 (5)
(Ǻ)	10.4022 (3)	20.7973 (8)
(deg)	71.979 (1)	—
(deg)	81.262 (1)	102.260 (2)
(deg)	74.382 (1)	—
(Å^3)	831.59 (5)	2601.62 (18)
(K)	90	90
Z	2	4
(g/cm^3)	1.384	1.866
abs coeff (mm^−1)	1.88	4.82
(deg)	135	66.2
	0.030	0.027
	0.086	0.058
Res density	0.29, −0.41	1.50, −1.65
Data/parameters	2819/217	9917/354
Radiation type	Cu	Mo
Radiation wavelength/(Å)	1.54178	0.71073