Crystal and refinement data for complex 1.
| Empirical formula | C40H36Cu2N4O13 |
|---|---|
| F w | 907.81 |
| Crystal system | Monoclinic |
| Space group | P21/n |
| a (Å) | 17.347(2) |
| b (Å) | 10.9004(12) |
| c (Å) | 19.960(2) |
| α (°) | 90 |
| β (°) | 99.553(4) |
| γ (°) | 90 |
| V (Å3), Z, T (K) | 3721.9(7), 4, 296(2) |
| D c/g cm−3, F(000) | 1.620, 1864 |
| Goodness-of-fit on F2 | 1.020 |
| Reflections collected | 58 529 |
| Unique data, Rint | 9255, 0.0417 |
| θ range (°) | 2.07–28.33 |
| R 1 (I > 2σ(I))a | 0.0614 |
| wR2b (all data)a | 0.1158 |
a
R 1 = ∑‖Fo| − |Fc‖/∑|Fo|.
b
wR2 = ∑[w(Fo2 − Fc2)2]/∑[w(Fo2)2]1/2.