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. 2005 Aug 31;10(8):912–921. doi: 10.3390/10080912

Table 2.

Crystal data and structure refinement details

Empirical formula C26H32Cl8N2O2PdS4 Density (calculated) 1.658 g/mL
Formula weight 922.78 Absorption coefficient 1.334 mm-1
Temperature 100(2) K F(000) 928
Wavelength 0.71073 Å Crystal size 0.25 x 0.08 x 0.08 mm3
Crystal system Monoclinic θ range for data collection 2.53 to 28.29°
Space group P2(1)/c Reflections collected 13380
Unit cell dimensions a = 18.0079(15) Å, α= 90° Independent reflections 4358 [R(int) = 0.0367]
b = 6.0692(5) Å,
β= 116.5450(10)°
Final R indices
[I>2sigma(I)]
R1 = 0.0364, wR2 = 0.0811
c = 18.9080(16) Å, γ= 90° Goodness-of-fit on F2 1.051
Volume 1848.7(3) Å3 R indices (all data) R1 = 0.0494, wR2 = 0.0862
Z 2 Largest diff. peak and hole 1.350 and -0.811 e.Å-3