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56649101190
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Crystal data for 1: C94. 04H 148.94Gd2Mn2O25.43S8, M, 2367.41 g mol-1, monoclinic, C2/c, a, 35.358(5) Å b, 14.627(5) Å, c, 45.311(5) A, α, 90.00°, β, 96.543(5)°, γ, 90.00°, V, 23281(9) Å3, Z, 8, Dcalcd, 1.351 g cm-3, μ, 1.543 mm-1, T, 150(2) K, θmax, 25.0°, F(000, 9781, crystal dimensions 0.22 x 0.16 x 0.15 mm 3, reflections collected/unique, 77 489/20 527 (R int, 0.0470, final R1, 0.0549, wR2, 0.1466 [I > 2σ(I, GOF, 1.06. The X-ray intensity data for compound 1 were collected on a Bruker SMART APEX CCD diffractometer with graphite- monochromatized Mo Kα radiation (λ, 0.710 73 Å) operated at 2.0 kW 50 kV, 40 mA, The crystal
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19 All of the non-hydrogen atoms were refined anisotropically except some isolated molecular atoms, which were refined without hydrogen atoms. See the Supporting Information for further details. CCDC reference number 698364. The atomic coordinates for this structure have been deposited with the Cambridge Crystallographic Data Centre. The coordinates can be obtained, upon request, from the Director, Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, U.K.
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