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39049106688
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Crystal data for 2: C32H51F 3N6O3SSi2Zr·C 7H8, triclinic, P1̄, a, 10.8684(11) Å, b= 13.9752(15) Å, c, 15.6286(17) Å, α, 82.742(2)°, β, 81.840(2)°, γ, 75.184(2)°; 43 129 total reflections, 9610 independent reflections; R1, 0.0524, wR2, 0.1373 (I > 2σ(I, 7017 reflections, Crystal data for 4a: C 32H55F3N6O3SSi 2Zr, monoclinic, P21/n, a, 10.4937(5) Å, b, 19.0633(9) Å, c, 20.8233(10) Å, β= 102.123(1)°; 98 728 total reflections, 12 423 independent reflections; R1, 0.0417, wR2, 0.0966, I > 2σI, 8972 reflections. Crystal data for 5: C28H46F3N 5O4SSi2Zr·
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8, triclinic, P1̄, a = 9.9979(6) Å, b = 13.3201(9) Å, c = 18.5380(11) Å, α = 92.160(1)°, β = 103.483(1)°, γ = 110.444(1)°; 52 847 total reflections, 13 011 independent reflections; R1 = 0.0393, wR2 = 0.0975 (I > 2σ(I), 10 278 reflections). For all studies, a Bruker AXS Smart 1000 CCD diffractometer was used (Mo Kα radiation, graphite monochromator, λ = 0.710 73 Å, 150 K (2) or 100 K).
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