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Crystallographic data for 4: violet irregular chunk, crystal dimensions 0.44 × 0.42 × 0.18 mm3, space group P21/n, a, 12.3616(2) Å, b, 12.9923(2) Å, c, 23.7047(5) Å, β, 90.6780(10)°, V, 3806.84-(12) Å3, Z, 4, ρcalc, 1.584 g m-3, μ(Mo Kα, 3.947 mm-1, data measured on a Bruker AXS SMART APEX II CCD-based diffractometer (Mo Kα, λ, 0.710 73 Å) at 100(2) K; structure solved by direct methods, 119 551 reflections collected, 10 670 independent reflections (R(int, 0.0232, data/restraints/parameters 10 670/0/496, final R indices [I > 2σ(I, R1, 0.0157 and wR2, 0.0401, R indices (all data) R1, 0.0180 and wR2, 0.0413, largest difference peak and hole +1.177 and -0.560 e Å-3. Data for other complexes appear as Supporting Information
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Full computational details appear as Supporting Information
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Full computational details appear as Supporting Information.
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