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Self-Assembly, Crystal Structure and Analysis of Intermolecular Interactions of the Supramolecular Compound Based on Hexamolybdochromate(III), Sulfate and Piperazine

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Abstract

A new supramolecular compound based on Anderson-B hexamolybdochromate, (H2Pz)3[Cr(OH)6Mo6O18H](SO4)2·12H2O (1) (Pz = piperazine) was synthesized and characterized by elemental analysis, IR spectroscopy, and single-crystal X-ray diffraction (Mo Kα). The compound crystallizes in monoclinic system, P21/c space group with a = 13.5708(6) Å, b = 17.3711(8) Å, c = 22.2387(9) Å, β = 110.631(2)°; V = 4906.3(4) Å3, Z = 4, D c  = 2.290 g/cm3, F(000) = 3364.0; μ = 1.905, S = 1.033. The final R = 0.0398 and wR = 0.0971. The H2pz2+ ions and sulfate anions in 1 are arranged through hydrogen bonds into a hexagonal network in [202] plane and hexamolybdochromates anions (CrMo6) fill in the hexagonal vacancies. The networks stack in such a way that each anion links two sulfate ions from adjacent networks via hydrogen bonds with short (CrMo6)O···OSO3 distances of 2.637–2.697 Å. A lot of hydrogen bonds are formed between water molecules, sulfate, H2pz2+ ions and CrMo6 anions, which are the dominating force constructing the supramolecular structure. Hirshfeld surface analysis of 1 gives us the details of intermolecular interactions in the crystals of 1 in a visual manner and shows that the CrMo6 anion acts as a stronger hydrogen bond donor than as an acceptor.

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Authors and Affiliations

  1. Key Laboratory of Polyoxometalates Science of Ministry of Education, College of Chemistry, Northeast Normal University, Changchun, 130024, People’s Republic of China

    Feng Yao & Ya-Guang Chen

  2. Department of Chemistry, School of Sciences, Ferdowsi University of Mashhad, P.O. Box 917791436, Mashhad, Iran

    Ali R. Salimi & Masoud Mirzaei

Authors
  1. Feng Yao
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  2. Ya-Guang Chen
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  3. Ali R. Salimi
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  4. Masoud Mirzaei
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Correspondence to Ya-Guang Chen.

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Yao, F., Chen, YG., Salimi, A.R. et al. Self-Assembly, Crystal Structure and Analysis of Intermolecular Interactions of the Supramolecular Compound Based on Hexamolybdochromate(III), Sulfate and Piperazine. J Clust Sci 22, 309–318 (2011). https://doi.org/10.1007/s10876-011-0382-6

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  • DOI: https://doi.org/10.1007/s10876-011-0382-6

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