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47
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24944516945
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note
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In Scheme 2, in the case of compound 3, the product obtained after recrystallization in methanol is indicated.
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54
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24944561861
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note
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-. One molecule of crystallization water for each trinuclear unit is present in both compounds.
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55
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24944559675
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note
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The analysis of these particular bonding features deserves a deeper examination and will be the subject of a forthcoming paper.
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57
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24944581576
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see ref 7
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It is noteworthy that the solid-state UV-vis spectra of 1-3 are almost identical to that of A (see ref 7).
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59
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24944591762
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note
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Even if this is strictly true for 2 and 3, the pentacoordination of Cu(3) in 1 involves a weakly bonded apical O(5) atom of an adjacent zigzag chain positioned at 2.772 Å from it.
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61
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62
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24944539541
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see ref 7
-
Hirshfeld charges of Cu(1), Cu(2), and Cu(3) are 0.43, 0.38, and 0.37, respectively, in 1; 0.44, 0.41, and 0.43, respectively, in 2; 0.42, 0.45, and 0.41, respectively, in 3; and 0.41, 0.41, and 0.39, respectively, in A (for the last compound see ref 7).
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65
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24944570020
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note
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Cu(1) in 2 and Cu(3) in 3 present a slightly distorted square planar tetracoordination, whereas for Cu(3) in 1, see Results and Discussion.
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-
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66
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24944577381
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see Figure 7a. see Figure 7b
-
The 28-membered macrocycles present in compound A form channels that are in large part obstructed by pyrazolate moieties (see Figure 7a). Possibly more interesting and, at the present, under examination are the interlayer voids present in the same compound (see Figure 7b).
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