An unusual coordination polymer containing Cu+ ions and featuring possible Cu...Cu `cuprophilic' interactions: poly[di‐μ‐chlorido‐(μ4‐3, 5‐diaminobenzoato‐κ4O:O′:N:N′)tricopper(I)(3 Cu—Cu)]. Issue 1 (1st January 2016)

• Record Type: Journal Article
• Authors: Khosa, Muhammad Kaleem; Wood, Paul T.; Humphrey, Simon M.; Harrison, William T. A.
• Is Part Of: Acta crystallographica. Volume 72:Issue 1(2016)
• Page Start: 63
• Page End: 67
• Publication Date: 2016-01-01
• Subjects: copper(I) -- three‐dimensional coordination polymer -- cuprophilic interaction -- crystal structure -- 3, 5‐diaminobenzoate -- in situ reduction; Crystallography -- Periodicals; Crystals -- Periodicals; 548.3
• DOI: 10.1107/S205322961502330X
• Languages: English
• ISSNs: 2053-2296

Abstract

Abstract : Compounds containing copper(I) are of interest for their role in biological processes. The nature of short (< ∼3.2 Å) Cu...Cu contacts within these compounds has been debated, being either described as weakly attractive (bonding) `cuprophilic' interactions, or simply as short metal–metal distances constrained by ligand geometry or largely ionic in nature. The title three‐dimensional Cu + ‐containing coordination polymer, [Cu3 (C7 H7 N2 O2 )Cl2 ] n, was formed from the in situ reduction of CuCl2 in the presence of 3, 5‐diaminobenzoic acid and KOH under hydrothermal conditions. Its complex crystal structure contains ten distinct Cu I atoms, two of which lie on crystallographic inversion centres. The copper coordination geometries include near‐linear CuOCl and CuN2, T‐shaped CuOCl2 and distorted tetrahedral CuOCl3 groups. Each Cu I atom is also associated with two adjacent metal atoms, with Cu...Cu distances varying from 2.7350 (14) to 3.2142 (13) Å; if all these are regarded as `cuprophilic' interactions, then infinite [ 01] zigzag chains of Cu I atoms occur in the crystal. The structure is consolidated by N—H...Cl hydrogen bonds.