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Rardin, R.L.1
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19
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85153275689
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Crystal data for [1-Gd(NO3)3[15-MC L-pheHA-5, C102H155Cu10Gd 2N20O58, M, 3521.34, Monoclinic, space group P2(1, no. 4, a, 14.756(2, b, 33.580(5, c, 15.403(2, α, 90, β, 118.573(2, γ, 90, V= 6702.8(16) Å3, Z, 2; ρcalcd, 1.754 g/cm3; crystal dimensions, 0.42 x 0.22 x 0.20 mm3; μ, 2.624 mm-1; T, 113(2) K; 86931 reflections (R int, 0.0385, 32862 independent reflections and 31839 reflections [I> 2σ(I, for all data R1, 0.0510, wR2, 0.1149, for observed data [I> 2σI, R1, 0.0487, wR2, 0.1137
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2 = 0.1137.
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20
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85153265588
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[11].
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[11].
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21
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85153236480
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Crystal data for 3-Gd(NO3)3[15-MC L-pheHA-5, C108H164.82-Cu10Gd 2N22O63.41, M, 3735.90, triclinic, space group P1 (no. 1, a, 14.828(4, b, 15.730(4, c, 16.535(5, α, 102.277(5, β, 101.471(5, γ, 96.683(5, V, 3642.3(17) Å3, Z, 1; ρcalcd, 1.703 g/cm3; crystal dimensions, 0.40 x 0.20 x 0.10 mm3; μ, 2.423 mm 1; T, 123(2) K; 38960 reflections (Rint, 0.0187, 31446 independent reflections and 30606 reflections [I> 2σ(I, for all data R1, 0.0306, wR2, 0.0772, for observed data [I> 2σI, 0.0295, wR2, 6.0764
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2 = 6.0764.
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22
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85153197594
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Crystal data for 4-Gd(NO3)3[15-MC L-pheHA-5, C135H184-Cu10Gd 2N20O56, M, 3932.92. monoclinic. space group P2(1, no. 4, a, 17.110(2, b, 29.032(4, c, 17.202(2, α, 90, β 103.673(6, γ, 90, V= 8303(2) Å3, Z, 2; ρcalcd, 1.573 g/cm3; crystal dimensions, 0.50 x 0.40 x 0.32 mm3; μ, 2.127 mm-1; T, 118(2) K; 88356 reflections (R int, 0.0375, 40705 independent reflections and 36609 reflections [>7> 2σ(I, for all data R1, 0.0568, wR2, 0.1369, for observed data [>7> 2σI, R1, 0.0497, wR2, 0.1333
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2 = 0.1333.
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23
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85153178313
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In all structures, solvent waters and/or monodentate bound guests occupy the Gdm sites on the hydrophilic face
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m sites on the hydrophilic face.
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