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A peer-reviewed article of this preprint also exists.
supplementary.doc (2.32MB )
This version is not peer-reviewed
Submitted:
04 January 2024
Posted:
04 January 2024
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Compound | [Au(iPr)(L1)] 1 | [Au(iPr)(L4)] 4 | [Au(iPr)(Pur1)]* | [Au(iPr)(Pur2)]** | |
---|---|---|---|---|---|
Selected bond lengths [Å] | Au-N | 2.026(4) | 2.024(2) | 2.018(3) | 2.033(6) |
Au-C | 1.963(5) | 1.976(3) | 1.974(4) | 1.978(7) | |
Selected angle [°] | N-Au-C | 175.54(18) | 179.29(12) | 173.58(16) | 175.7(3) |
Compound | Human cell lines | RF* | SI** | ||
---|---|---|---|---|---|
A2780 | A2780R | MRC5 | |||
[Au(iPr)(L1)] (1) | 7.9±2.4 | 5.0±1.5 | 19.8±3.0 | 0.6 | 2.5 |
[Au(iPr)(L2)] (2) | 9.0±1.4 | >25 | >25 | >2.8 | >2.8 |
[Au(iPr)(L3)] (3) | 4.4±0.5 | 7.4±2.2 | 13.6±1.4 | 1.7 | 3.1 |
[Au(iPr)(L4)] (4) | 5.0±1.8 | 7.9±2.4 | 18.7±1.4 | 1.6 | 3.7 |
[Au(iPr)Cl] | 33.6±0.9 | >50 | >50 | >1.5 | >1.5 |
Auranofin | 1.5±0.5 | 3.1±0.2 | 4.7±0.8 | 2.1 | 3.1 |
Cisplatin (CDDP) | 16.8 ± 0.3 | >50 | >50 | >3.0 | >3.0 |
Compound | 24 h | 48 h | 72 h |
---|---|---|---|
[Au(iPr)(L1)] (1) | 7.9±2.4 | 3.8±0.5 | 3.4±0.2 |
[Au(iPr)(L2)] (2) | 9.0±1.4 | 6.6±2.5 | 5.1±0.7 |
[Au(iPr)(L3)] (3) | 4.4±0.5 | 3.8±1.1 | 3.0±0.2 |
[Au(iPr)(L4)] (4) | 5.0±1.8 | 4.1±0.8 | 3.8±0.5 |
[Au(iPr)Cl] | 33.6±0.9 | 25.7±0.6 | 26.2±1.5 |
Auranofin | 1.5±0.5 | 1.0±0.5 | 0.9±0.4 |
Cisplatin (CDDP) | 16.8 ± 0.3 | 11.6 ± 3.2 | 4.4 ± 0.4 |
Empirical formula Formula weight Temperature Wavelength Crystal system Space group Unit cell dimensions Volume Z Density (calculated) Absorption coefficient F(000) Crystal size θ range for data collection Index ranges Reflections collected Independent reflections Completeness to θ = 25.0° Absorption correction Refinement method Data / restraints / parameters Goodness-of-fit on F2 Final R indices [I>2σ(I)] R indices (all data) |
C34 H41 N4 F Au 720.66 293(2) K 0.71073 Å Triclinic P-1 a = 10.812(4) Å, α = 87.641(15)° b = 11.617(5) Å, β = 77.852(13)° c = 14.396(5) Å, γ = 66.83(2)° 1623.4(11) Å3 2 1.474 g/cm3 4.564 mm-1 720 0.260 x 0.240 x 0.200 mm 1.909 to 24.999°. -12 ≤ h ≤ 12, -13 ≤ k ≤ 13, -17 ≤ l ≤ 17 29392 5713 [R(int) = 0.0666] 100.0 % Semi-empirical from equivalents Full-matrix least-squares on F2 5713 / 0 / 369 1.086 R1 = 0.0312, wR2 = 0.0680 R1 = 0.0465, wR2 = 0.0715 |
C34 H41 N4 I Au 828.56 150(2) K 0.71073 Å Triclinic P-1 a = 9.563(4) Å, α = 81.364(16)° b = 11.986(5) Å, β = 87.163(14)° c = 16.130(7) Å, γ = 77.766(18)° 1786.0(12) Å3 2 1.541 g/cm3 5.008 mm-1 808 0.160 x 0.120 x 0.100 mm 2.180 to 25.000°. -11 ≤ h ≤ 11, -14 ≤ k ≤ 14, -19 ≤ l ≤ 19 37929 6293 [R(int) = 0.0481] 99.9 % Semi-empirical from equivalents Full-matrix least-squares on F2 6293 / 0 / 369 1.053 R1 = 0.0195, wR2 = 0.0393 R1 = 0.0263, wR2 = 0.0406 |
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