| Empirical formula | C25H19F12N4O5Ni(1) | C25H19F12N4O5Zn(2) |
| Wavelength | 0.71073 | 0.71073 |
| Temperature/K | 296 | 296 |
| Formula weight | 742.13 | 748.83 |
| Crystal system | Triclinic | Monoclinic |
| Space group | Pī | C2/c |
| a/Å | 9.1189(18) | 26.996(5) |
| b/Å | 9.836(2) | 9.5223(19) |
| c/Å | 18.537(4) | 23.961(5) |
| α/˚ | 75.92(3) | 90 |
| β/˚ | 81.95(3) | 91.07(3) |
| γ/˚ | 69.32(3) | 90 |
| Volume/Å3 | 1506.1(6) | 6158(2) |
| Z | 2 | 8 |
| pcalc g/cm3 | 1.637 | 1.615 |
| μ/mm−1 | 0.761 | 0.912 |
| F(000) | 746.0 | 3000.0 |
| Crystal size/mm3 | 0.20 × 0.20 × 0.20 | 0.20 × 0.20 × 0.20 |
| Radiation | MoKα (λ = 0.71073 Å) | MoKα (λ = 0.71073 Å) |
| Final R1, wR2 [I > 2σ(I)] | R1 = 0.0587 wR2 = 0.1486 | R1 = 0.0510 wR2 = 0.1530 |
| R indices (all data) | R1 = 0.1149 wR2 = 0.1800 | R1 = 0.0762 wR2 = 0.1782 |