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note
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1H NMR simulation, see the Supporting Information.
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51
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33746527796
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note
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-1, 90 372 observed (15 013 unique) reflections, 1031 variables, R1 = 0.1013, wR2 = 0.1489, GOF = 1.015. Full details are given in the Supporting Information.
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52
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33746540785
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See ref 12a
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These molecules might be termed "nanobowls". See ref 12a.
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53
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33746490312
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note
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2+ ions in the macrocycle are square-pyramidal and the third is coordinated to DMSO (solvent), giving it an octahedral geometry in the solid state.
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54
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