Bioinorganic Chemistry and Applications / 2008 / Article / Tab 1 / Research Article
Synthesis, Characterization, and In Vitro Cytotoxic Activities of Benzaldehyde Thiosemicarbazone Derivatives and Their Palladium(II) and Platinum(II) Complexes against Various Human Tumor Cell Lines Table 1 Crystal
data and
refinement summary.
H
Empirical
formula
S
OPd
P
Formula weight (g/mol) 255.33 530.91 1885.77 Crystal habit, color Yellow
plates Orange prisms Red prisms Crystal system Triclinic Monoclinic Monoclinic Space group P-1 C2/c P
a (Å) 5.988(1) 20.016(4) 12.708(1) b (Å) 10.285(2) 6.421(1) 13.639(1) c (Å) 11.410(2) 18.511(4) 17.031(1) α (° ) 68.040(2) β (° )82.514(3) 120.78(3) 94.054(1) γ (° )86.886(2) Volume (Å3 ) 646.1(2) 2044.0(7) 2944.5(3) Z; F(000) 2; 268 4; 1064 2;
1784
(g/
) 1.313 1.725 2.127 Crystal
size
(mm) 0.44
0.20
0.04 0.43
0.39
0.07
0.16
0.16
0.05 μ (
)(
)0.235 1.141 9.669 2θ range (° ) 3.8–50.0 6.8–56.2 3.8–59.0 Temperature
(K) 220 213 213 Measured reflections 3388 9478 19123
0.0290 0.0635 0.0224 Unique reflections 2252 2462 13693 Observed reflections
1939 2012 12253 Refined parameters 215 170 713
(unique reflections)0.1693 0.0929 0.0774
(observed reflections)0.0618 0.0331 0.0338 Largest difference peak and hole (e/ Å3 ) 0.38/
0.31 1.26/
0.88 1.71/
1.14