| Complex | {[Cu(hfac)2]3(NITmPhO3Py)2}n 1 | [Cu(hfac)2]2(NIToPhO3Py)2 2 |
| Empirical formula | C68H50Cu3F36N6O18 | C58H48Cu2F24N6O14 |
| Formula weight | 2113.76 | 1636.10 |
| Temperature (K) | 293 (2) | 293 (2) |
| Wavelength (Å) | 0.71073 | 0.71073 |
| Crystal system | Monoclinic | Triclinic |
| Space group | P21/c | P − 1 |
| a (Å) | 19.9811 (9) | 10.358 (2) |
| b (Å) | 18.2374 (8) | 10.521 (2) |
| c (Å) | 24.3643 (12) | 17.486 (4) |
| α (˚) | 90.00 | 79.50 (3) |
| β (˚) | 100.922 (2) | 87.62 (3) |
| γ (˚) | 90.00 | 63.58 (3) |
| Volume (Å3) | 8717.6 (7) | 1676.4 (6) |
| Z | 4 | 1 |
| Calculated density (mg∙m−3) | 1.611 | 1.621 |
| Absorption coefficient (mm−1) | 0.868 | 0.767 |
| F(000) | 4220 | 824 |
| Crystal size (mm3) | 0.10 × 0.10 × 0.10 | 0.10 × 0.10 × 0.10 |
| θ range for data collection (˚) | 2.64 to 22.06 | 2.20 to 25.39 |
| Reflections Collected/unique | 54,971/8530 [R(int) = 0.0824] | 19,030/5904 [R(int) = 0.0585] |
| Data/restraints/ parameters | 8530/0/1180 | 5904/13/469 |
| Goodness-of-fit on F2 | 1.051 | 1.135 |
| R1 [I > 2σ(I)] | 0.0807 | 0.0806 |
| wR2 [I > 2σ(I)] | 0.2232 | 0.2268 |
| R1 (all data) | 0.1360 | 0.0975 |
| wR2 (all data) | 0.2587 | 0.2445 |