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. 2023 Aug 7;13(34):23745–23753. doi: 10.1039/d3ra04111e

Crystal data for 1–6.

Compound 1 2 3 4 5 6
Chemical formula C42H36Cu2N4O14 C42H28Mn2N4O10 C19H18CoN2O7 C19H16CoN2O6 C19H16CoN2O5 C14H17CdNO8
Formula weight 947.83 858.56 445.28 427.25 411.27 439.68
Crystal system Triclinic Monoclinic Monoclinic Triclinic Monoclinic Triclinic
Space group P C2/c P21/c P C2/c P
a 7.3455(7) 38.823(4) 8.8603(3) 10.0273(10) 16.0459(6) 9.3015(5)
b 10.4021(9) 10.4967(8) 17.4505(5) 10.0728(9) 12.0320(4) 10.1706(6)
c 12.8273(10) 18.7612(12) 12.4228(4) 10.7050(14) 19.4535(9) 10.2299(5)
α 96.431(7) 90 90 74.711(9) 90 68.453(5)
β 92.558(7) 105.531(8) 97.718(3) 66.547(11) 105.900(4) 81.292(4)
γ 101.886(8) 90 90 76.120(8) 90 67.661(5)
V3 950.75(15) 7366.3(11) 1903.37(11) 945.6(2) 3612.1(3) 832.50(9)
T/K 293(2) 293(2) 293(2) 293(2) 293(2) 293(2)
Z 1 8 4 2 8 2
D c/g cm−3 1.655 1.548 1.554 1.437 1.513 1.754
μ/mm−1 2.071 6.161 7.480 7.399 7.748 10.901
F(000) 486 3504 916 418 1688 440
Refl. measured 3319 6861 3367 3216 3136 2869
Unique refl. (Rint) 2810 (0.0239) 3204 (0.0933) 2795 (0.0237) 2712 (0.0329) 2533 (0.0260) 2740 (0.0390)
GOF on F2 1.065 0.988 1.079 1.017 1.048 1.030
R 1[I > 2σ(I)]a 0.0434 0.0806 0.0378 0.0536 0.0421 0.0353
wR2[I > 2σ(I)]b 0.1153 0.1956 0.0937 0.1351 0.1028 0.0951
a

R 1 = Σ‖Fo| − |Fc‖/|Fo|.

b

wR2 = {Σ[w(Fo2Fc2)]2/Σ[w(Fo2)]2}1/2.