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Magnetism: Molecules to materials; Drillon, M., Ed.; VCH: Weinheim, Germany, 2001.
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13
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64349106530
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-1) for 1: 3424br. 3083w, 2999w. 2239s. 2208s, 1581s, 1559m, 1496s, 1469s, 1409s, 1375m, 1343m, 1221m, 1183m, 1143w, 1103w, 996m, 755m, 671m, 534m.
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-1) for 1: 3424br. 3083w, 2999w. 2239s. 2208s, 1581s, 1559m, 1496s, 1469s, 1409s, 1375m, 1343m, 1221m, 1183m, 1143w, 1103w, 996m, 755m, 671m, 534m.
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64349118873
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Crystallographic studies of complex 1 were performed in the temperature range 293-10 K. Crystal data for 1 at 293 K: C 26H18CuN12O3, Mw, 610.06 g mol-1, monoclinic. space group 12/a, a, 10.0792(6) Å, b, 11.9676(5) Å, c, 24.9148(12) Å, β, 89.467(4)°, V, 3005.2(3) Å3. Z, 4, ρcaled, 1.348 g-cm-3, F000, 1244. 7659 collected reflections, 2163 unique (Rint, 0.0242, final GOF, 1.066 (all data, Rl, 0.0374, wR2, 0.0949, Rindices based on 1958 reflections with, > 2σ(l, 245 parameters. Crystal data at 100 K: a, 10.1105(5) Å,b, 11.8149(6) Å, c, 24.9214(12) Å. β, 91.839(4)°, V, 2975.4(3) Å3, Z, 4, ρcaled, 1.362 g cm -3. F000, 1244, 7620 collected reflections, 2497 unique Rint, 0.0305, fina
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int = 0.0246), final GOF = 1.078 (all data), Rl = 0.0714, wR2 = 0.1870, R indices based on 4892 reflections with / > 2σ(I), 364 parameters.
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15
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0000647952
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