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 |
V (Å3) | 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 |