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Crystal structure of a heterometallic coordination polymer: poly[di-aqua-bis-(μ-benzene-1,3,5-tri-carboxyl-ato)dicalcium(II)copper(II)]. | LitMetric

Crystal structure of a heterometallic coordination polymer: poly[di-aqua-bis-(μ-benzene-1,3,5-tri-carboxyl-ato)dicalcium(II)copper(II)].

Acta Crystallogr E Crystallogr Commun

Key Laboratory of Catalysis and Materials Sciences of the State Ethnic Affairs Commission & Ministry of Education, College of Chemistry and Material Science, South-Central University for Nationalities, Wuhan 430074, People's Republic of China.

Published: June 2017

In the title complex, [CaCu(CHO)(HO)] , the Ca and Cu cations are bridged by the benzene-1,3,5-tri-carboxyl-ate anions (BTC) to form the coordination polymer, in which each BTC anion bridges two Cu and five Ca cations with a μ coordination mode. The Cu cation, located at an inversion centre, is in a nearly square-planar geometry defined by four O atoms from four bridging BTC anions, while the Ca cation is in a distorted octa-hedral geometry defined by five O atoms from bridging BTC anions and one water mol-ecule. O-H⋯O hydrogen bonds between coordinating water mol-ecules and carboxyl groups further stabilize the structure; π-π stacking is also observed between parallel benzene rings, the centroid-to-centroid distance being 3.357 (2) Å.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458304PMC
http://dx.doi.org/10.1107/S205698901700665XDOI Listing

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