Title : ( Self-Assembly, Crystal Structure and Analysisof Intermolecular Interactions of the SupramolecularCompound Based on Hexamolybdochromate(III),Sulfate and Piperazine )
Authors: Feng Yao , Ya-Guang Chen , Alireza Salimi , Masoud Mirzaei Shahrabi ,
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Abstract
A new supramolecular compound based on Anderson-B hexamolybdochromate, (H2Pz)3[Cr(OH)6Mo6O18H](SO4)212H2O (1) (Pz = piperazine) was synthesized and characterized by elemental analysis, IR spectroscopy, and singlecrystal X-ray diffraction (Mo Ka). The compound crystallizes in monoclinic system, P21/c space group with a = 13.5708(6) A ° , b = 17.3711(8) A ° , c = 22.2387(9) A ° , b = 110.631(2); V = 4906.3(4) A ° 3, Z = 4, Dc = 2.290 g/cm3, F(000) = 3364.0; l = 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)OOSO3 distances of 2.637–2.697 A ° . 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.
Keywords
, Anderson, B hexamolybdochromate Crystal structure Intermolecular interaction Piperazine Sulfate Hirshfeld surface analysis
@article{paperid:1022220,
author = {Feng Yao and Ya-Guang Chen and Salimi, Alireza and Mirzaei Shahrabi, Masoud},
title = {Self-Assembly, Crystal Structure and Analysisof Intermolecular Interactions of the SupramolecularCompound Based on Hexamolybdochromate(III),Sulfate and Piperazine},
journal = {Journal of Cluster Science},
year = {2011},
volume = {22},
number = {22},
month = {February},
issn = {1040-7278},
pages = {309--318},
numpages = {9},
keywords = {Anderson-B hexamolybdochromate Crystal structure Intermolecular interaction Piperazine Sulfate Hirshfeld surface analysis},
}
%0 Journal Article
%T Self-Assembly, Crystal Structure and Analysisof Intermolecular Interactions of the SupramolecularCompound Based on Hexamolybdochromate(III),Sulfate and Piperazine
%A Feng Yao
%A Ya-Guang Chen
%A Salimi, Alireza
%A Mirzaei Shahrabi, Masoud
%J Journal of Cluster Science
%@ 1040-7278
%D 2011
