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Crystallographic data for compound 1(BF4)4 at T, 283 K: C101H84B4F 16Fe4N24O7, Mr, 2316.45, dimensions: 0.20 × 0.15 × 0.10 mm3, orthorhombic, space group P212121, a, 15.146(3, b, 25.943(5, c, 27.130(5) Å, V= 10660(4) Å3, Z, 4, pcalcd, 1.438 g cm-3, μ, 0.627 mm-1, 69762 reflections collected, 18 683 independent reflections [17074 I > 2σ(I, The final R values were R, 0.1053, wR2, 0.2622 for I > 2σ(I, R, 0.1133, wR2=0.2697 for all data. Flack parameter: 0.002
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2=0.2697 for all data. Flack parameter: 0.00(2).
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41
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60149112165
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Crystallo-graphic data for compound 1(BF4)4 at 123 K: orthorhombic, space group P21212 1, a=15.048(3, b=25.582(5, c, 26.638(5) Å, V, 10255(4) Å3, Z, 4, p calcd, 1.495 gcm-3, μ, 0.652 mm-1, 68110 reflections collected, 18029 independent reflections [17 280 I > 2σ(I, The final R value were R, 0.0885, wR2, 0.2213 for I > 2σ(I, R, 0.0918, wR2, 0.2241 for all data. Flack parameter: 0.04(2, The structures were solved by direct methods and refined with full-matrix least-squares procedures using the program SHELXS-97 G. M. Sheldrick, 1997, SHELXS-97 and SHELXL-97, University of Göttingen, Germany, CCDC-700719 and 700720 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from Th
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2 = 0.2241 for all data. Flack parameter: 0.04(2). The structures were solved by direct methods and refined with full-matrix least-squares procedures using the program SHELXS-97 (G. M. Sheldrick, 1997, SHELXS-97 and SHELXL-97, University of Göttingen, Germany). CCDC-700719 and 700720 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data- request/cif.
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