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 |