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See the Supporting Information for synthetic details and characterization
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See the Supporting Information for synthetic details and characterization.
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32
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34548274795
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iso = 77 G.
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iso = 77 G.
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33
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34548257579
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X-ray data collection was performed on a Bruker Apex CCD diffractometer with Mo Kα radiation (0.710 73 Å) at 120 K for 1 and 100 K for 2a and 2b. X-ray data for 1: C17H 18Cu2F3N4O5S, M, 574.49, monoclinic, space group C2/c, a, 27.741(6) Å, b, 11.365(2) Å, c, 13.468(3) Å, β, 102.735(2)°, V, 4141.7(14) Å3, Z, 8, ρcalcd, 1.843 g/cm3, R1, 0.0566, wR2, 0.0820, GOF, 1.030. X-ray data for 2a: C31H44Cu3F3N6NaO 8S, M, 931.39, orthorhombic, space group Pccn, a, 22.117(3) Å, b, 15.280(2) Å, c, 21.380(3) Å, V, 7225.3(17) Å3, Z, 8, ρcalcd, 1.712 g/cm3, R1, 0.0284, wR2, 0.0770, GOF, 1.005. X-ray data for 2b: C
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3, R1 = 0.0567, wR2 = 0.1140, GOF = 1.002.
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Polymorph 2a is comprised of double-stranded chains of Cu trimers linked via the amidate O atoms and Na cations (Figure S3 in the Supporting Information), while 2b forms 2D sheets of trimers connected via amidate O atoms to NaOTf nodes (Figure S4 in the Supporting Information).
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Polymorph 2a is comprised of double-stranded chains of Cu trimers linked via the amidate O atoms and Na cations (Figure S3 in the Supporting Information), while 2b forms 2D sheets of trimers connected via amidate O atoms to NaOTf nodes (Figure S4 in the Supporting Information).
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