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. 2010 Mar 29;363(10):2279–2286. doi: 10.1016/j.ica.2010.03.050

Table 1.

Crystallographic parameters of the complexes 1, 2 and 4.

Compound number 1 2 4
Formulae C38H26Cu2N6O18 C19H14CuNO5 C24H20CuN2O9
Formula weight 981.73 399.85 543.96
Crystal system monoclinic monoclinic monoclinic
Space group P21/c C2/c Cc
a (Å) 11.3721(4) 20.6947(2) 18.9930(7)
b (Å) 10.1756(3) 10.10310(10) 15.8109(7)
c (Å) 19.7779(6) 19.1416(2) 7.7635(3)
α (°) 90.00 90.00 90.00
β (°) 117.384(2) 118.17(10) 107.791(4)
γ (°) 90.00 90.00 90.00
V3) 2032.20(11) 755.32(13) 2219.86(15)
Z 2 8 4
Density (Mg m−3) 1.604 1.506 1.628
Absolute coefficient (mm−1) 1.133 1.267 1.045
F(0 0 0) 996 1632 1116
Total number of reflections 21419 18542 12347
Reflections [I > 2σ(I)] 3672 3105 5104
Maximum θ (°) 25.50 25.00 28.93
Ranges (h, k, l) −13 ⩽ h ⩽ 13, −12 ⩽ k ⩽ 10, −24 ⩽ l ⩽ 24 −23 ⩽ h ⩽ 24, −11 ⩽ k ⩽ 12, −22 ⩽ l ⩽ 22 −23 ⩽ h ⩽ 25, −21 ⩽ k ⩽ 21, −10 ⩽ l ⩽ 10
Completeness to 2θ (%) 97.0 99.9 99.1
Data/restraints/parameters 3672/0/289 3105/0/235 5104/0/332
Goodness-of-fit (GOF) (F2) 1.081 1.052 1.082
R indices [I > 2σ(I)] R1 = 0.0349, wR2 = 0.0861 R1 = 0.0223, wR2 = 0.0614 R1 = 0.0451, wR2 = 0.1113
R indices (all data) R1 = 0.0459, wR2 = 0.0919 R1 = 0.0258, wR2 = 0.0636 R1 = 0.0558, wR2 = 0.1179