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. 2010 Oct 10;2010:281932. doi: 10.1155/2010/281932

Table 1.

Crystal data and structure refinement for complex 1.

Empirical formula C26H34Cd2N2O12
Formula weight 791.35
Crystal size (mm) 0.20 × 0.23 × 0.50
Crystal system Tetragonal
Space group P41212
Flack parameter x 0.01(3)
θ range for data collection (°) 1.95 ≤ θ ≤ 25.04
a, Å 12.737(5)
b, Å 12.737(5)
c, Å 18.288(7)
α° 90
β° 90
γ° 90
V, Å3 2967(2)
Z 4
ρ calcd, g cm−3 1.772
μ, mm−1 1.498
F(000) 1584
Limiting indices, (°) 0 ≤ h ≤ 15
0 ≤ k ≤ 15
−21 ≤ l ≤ 21
Reflections collected 5741
Unique reflections 2632 (R int  = 0.0454)
Reflections used [I > 2σ(I)] 2448
Parameters 246
GoF (on F 2) 1.047
R1a 0.0273
w R2a 0.0674
ρ)max /(Δρ)min , e Å−3 0.742/−0.570

a I > 2σ(I).