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Crystal data: For complex 3, C46H36Br 2Cu2N2O16, M, 1159.67, triclinic, P1̄, a, 9.3687(19) Å. b, 10.792(2) Å, c, 12.266(3) Å. α, 71.44(3)°, β= 74.33(3)°, γ, 83.52(3)°, V, 1131.5(4) Å3, Z, 1, μ(Mo Kα, 2.781 mm-1, T= 90(2) K, R1, 0.1026, wR2, 0.2477. The crystal of complex 3 was determined to be nonmerohedral twins, and detwinned diffraction data were used to refine the structure. For complex 4, C66H44Cl2Cu 2N2O20, M, 1383.01, triclinic, P1̄, a, 10.423(18) Å, b, 11.032(18) Å, c, 14.32(2) Å, α, 104.03(3)°, β, 94.41(3)°, γ, 108.91(4)°, γ, 1490(4) Å3, Z, 1, μ(Mo Kα, 0.886 mm-1, T, 90(2) K, R1, 0.1312, wR2, 0.3271. The crystal of complex 4 is crisp and the
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-1, T = 90(2) K, R1 = 0.0587, wR2 = 0.1331.
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33847263710
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Calculated log P value for aspirin using Advanced Chemistry Development (ACD/Labs) software, version 8.14, for Solaris
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Calculated log P value for aspirin using Advanced Chemistry Development (ACD/Labs) software, version 8.14, for Solaris.
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