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Crystal data for 2: C26H40N 6O15Zn2, mw, 807.38, T, 293(2) K, monoclinic, C2, a, 19.6098(14) A, b, 7.9168(6) Å, c, 10.8343(8) Å, β, 98.633(6)°. V= 1662.8(2) Å3, Z, 2, ρcalcd= 1.613 Mg/m3, μ= 1.521 mm-1. λ, 0.71073 Å, 2θmax, 51.34, reflns collected/unique, 7387/3015, Rint, 0.0495, Rl, 0.0382, wR2, 0.0708 for 2397 reflections [I > 2σ(I, goodness-of-flt on F2, 0.989, Flack (x) parameter, 0.03816, CCDC 698239
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2 = 0.989, Flack (x) parameter = 0.038(16), CCDC 698239.
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31
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4043182444
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For a description of common laboratory chemical explosion hazards including perchlorates and closely related species, see: (a) Churchill. D. G. J. Chem. Educ. 2006, 83, 1798
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For a description of common laboratory chemical explosion hazards including perchlorates and closely related species, see: (a) Churchill. D. G. J. Chem. Educ. 2006, 83, 1798.
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35
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64549103233
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Crystal data for 3: C52H72N 8O24Cl2Cu4Na2, mw, 1564.22, T= 293(2) K, monoclinic, C2, a, 17.1452(13) Å, b, 8.7748(4) Å, c, 23.3633(10) Å, β, 94.655(2)deg:, V, 3503.3(3) Å33, Z, 2, ρcalcd, 1.483 Mg/m3, μ, 1.364 mm-1, λ, 0.71073 Å. 2θmax, 55.52. reflns collected/unique, 21229/4390, R int, 0.0447, Rl, 0.0650, wR2, 0.1805 for 3690 reflections [I > 2σ(T, GOF on F3, 1.076, Flack (x) parameter, 0.033, CCDC 706470
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3 = 1.076, Flack (x) parameter = 0.03(3), CCDC 706470.
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The value is ∼0.60, although for a 1:2 stoichiometry, the ideal value is 0.66. In solution, an equilibrium may exist between 1:1 and 1:2 coordination. Lee, C.-H.; Miyaji, H.; Yoon, D.-W.; Sessler, J. L. Chem. Commun. 2008, 24.
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The value is ∼0.60, although for a 1:2 stoichiometry, the ideal value is 0.66. In solution, an equilibrium may exist between 1:1 and 1:2 coordination. Lee, C.-H.; Miyaji, H.; Yoon, D.-W.; Sessler, J. L. Chem. Commun. 2008, 24.
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