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. 2021 May 7;11(28):16989–16995. doi: 10.1039/d1ra00726b

Crystallographic data and structural refinement details of complexes 1–3.

Complexes 1 2 3
Empirical formula C44H29N4O4Zn C47H32N4O5Cd C61H40N4O8Zn2
Formula weight 743.08 845.16 1087.71
Temperature (K) 143 K 296 K 296 K
Wavelength (Å) 0.71073 0.71073 0.71073
Crystal system Monoclinic Triclinic Monoclinic
Space group P2/c P21/c P21/c
a (Å) 14.366(2) 11.885(3) 8.040(5)
b (Å) 24.779(4) 32.905(8) 27.239(17)
c (Å) 11.229(19) 10.927(3) 25.707(16)
α (°) 90 90 90
β (°) 90.011(2) 98.710(3) 97.818(8)
γ (°) 90 90 90
Z 4 4 4
F(000) 1532 1720 2232
ρ calcd/g cm−3 1.235 1.329 1.295
μ (mm−1) 0.660 0.566 0.917
θ range [°] 0.822 to 24.999 2.665 to 24.711 1.696 to 27.455
Collected reflections 6961 7050 12 649
Unique reflections 4453 5517 9851
R 1, wR2 [I > 2σ(I)] 0.0949 to 0.2634 0.0878 to 0.2247 0.0677 to 0.1597
R 1, wR2 [all data] 0.1413 to 0.3028 0.1099 to 0.2391 0.0910 to 0.1700
GOF 1.037 1.081 1.122