Syntheses and Crystal Structures of Two Gd(III) Hydrogen Supramolecules Based on p-Sulfonatothiacali

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Two novel polymeric complexes, [Gd(H5TCAS)(H2O)7]·4H2O 1 and [Gd(H5TCAS)(CH3COCH3)(H2O)6]·6H2O 2 (H4TCAS = p-sulfonatothiacalix[4]arene), have been synthesized and characterized by single-crystal X-ray diffraction analyses. Complex 1 crystallizes in monoclinic, space group C2/m with a = 20.2308(12), b = 19.0894(10), c = 12.2448(7) (A), β = 101.847(3)°,V=4628.1(5)(A)3,C24H43GdO27S8,Mr=1169.25,Z=4, Dc = 1.690 g/cm3, F(000) = 2380,μ= 1.879 mm-1, the final R = 0.0404 and wR = 0.1038 for 5127 observed reflections with I > 2σ(I). Complex 2 is pseudo-isostructural with complex 1.
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