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Crystal structure of a heterometallic coordination polymer: poly[di-aqua-bis-(?₇-benzene-1,3,5-tri-carboxyl-ato)dicalcium(II)copper(II)].

ABSTRACT: In the title complex, [Ca₂Cu(C₉H₃O₆)₂(H₂O)₂] _n , the Ca^II and Cu^II cations are bridged by the benzene-1,3,5-tri-carboxyl-ate anions (BTC^3-) to form the coordination polymer, in which each BTC^3- anion bridges two Cu^II and five Ca^II cations with a ?₇ coordination mode. The Cu^II cation, located at an inversion centre, is in a nearly square-planar geometry defined by four O atoms from four bridging BTC^3- anions, while the Ca^II cation is in a distorted octa-hedral geometry defined by five O atoms from bridging BTC^3- anions and one water mol-ecule. O-H?O hydrogen bonds between coordinating water mol-ecules and carboxyl groups further stabilize the structure; ?-? stacking is also observed between parallel benzene rings, the centroid-to-centroid distance being 3.357?(2)?Å.

SUBMITTER: Zhang F

PROVIDER: S-EPMC5458304 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of a heterometallic coordination polymer: poly[di-aqua-bis-(μ7-benzene-1,3,5-tri-carboxyl-ato)dicalcium(II)copper(II)].

Zhang Feng F Zhang Bing-Guang BG

Acta crystallographica. Section E, Crystallographic communications 20170512 Pt 6

In the title complex, [Ca2Cu(C9H3O6)2(H2O)2] n , the CaII and CuII cations are bridged by the benzene-1,3,5-tri-carboxyl-ate anions (BTC3-) to form the coordination polymer, in which each BTC3- anion bridges two CuII and five CaII cations with a μ7 coordination mode. The CuII cation, located at an inversion centre, ...[more]

PMID: 28638639

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