Bioinorganic Chemistry and Applications / 2011 / Article / Tab 1 / Research Article
Synthesis, Characterization, Crystal Structure, and Biological Studies of a Cadmium(II) Complex with a Tridentate Ligand 4′-Chloro-2,2′:6′,2′′-Terpyridine Table 1 Crystallographic data of [Cd(Cltpy)I2 complex.
Identification code Cd (terpy-Cl) I2 (7) Empirical formula C15 H10 Cd Cl I2 N3 Formula weight 633.91 Colour light brown Temperature 293(2) K Wavelength 0.71073 A Crystal system Monoclinic Space group P2(1)/c Unit cell dimensions a = 11.4865(10) Åb = 8.9326(7) Åc = 17.7570(14) Åα = 90°β = 94.242(2)°γ = 90°Volume 1817.0(3) Å3 Z 4 Density (calculated) 2.317 g cm−3 Absorption coefficient 4.745 mm−1 F (000)1168 Crystal size
mm3 Theta range for data collection 1.78 to 25.02° Index ranges
Reflections collected 9236 Independent reflections 3184 Absorption correction Empirical Max. and min. transmission 0.5774 and 0.3606 Refinement method Full-matrix least-squares on
Data/restraints/parameters 3184/0/199 Goodness-of-fit on
1.063 Final R indices [I > 2σ (I )]
R indices (all data)
Largest diff. peak, hole 0.802 and −0.708e· Å−3