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Crystal structures of two copper(I)-6,6'-dimethyl-2,2'-bipyridyl (dmbpy) compounds, [Cu(dmbpy)2]2[MF6]·xH2O (M = Zr, Hf; x = 1.134, 0.671).

ABSTRACT: The syntheses and crystal structures of two bimetallic mol-ecular compounds, namely, bis[bis-(6,6'-dimethyl-2,2'-bi-pyridine)-copper(I)] hexa-fluorido-zir-con-ate(IV) 1.134-hydrate, [Cu(dmbpy)2]2[ZrF6]·1.134H2O (dmbpy = 6,6'-di-methyl-2,2'-bipyri-dyl, C12H12N2), (I), and bis[bis-(6,6'-dimethyl-2,2'-bi-pyr-idine)-copper(I)] hexa-fluorido-hafnate(IV) 0.671-hydrate, [Cu(dmbpy)2]2[HfF6]·0.671H2O, (II), are reported. Apart from a slight site occupany difference for the water mol-ecule of crystallization, compounds (I) and (II) are isostructural, featuring isolated tetra-hedral cations of copper(I) ions coordinated by two dmbpy ligands and centrosymmetric, octa-hedral anions of fluorinated early transition metals. The tetra-hedral environments of the copper complexes are distorted owing to the steric effects of the dmbpy ligands. The extended structures are built up through Coulombic inter-actions between cations and anions and π-π stacking inter-actions between heterochiral Δ- and Λ-[Cu(dmbpy)2]+ complexes. A comparison between the title compounds and other [Cu(dmbpy)2]+ compounds with monovalent and bivalent anions reveals a significant influence of the cation-to-anion ratio on the resulting crystal packing architectures, providing insights for future crystal design of distorted tetra-hedral copper compounds.

SUBMITTER: Wang Y 

PROVIDER: S-EPMC8340967 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature

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Crystal structures of two copper(I)-6,6'-dimethyl-2,2'-bipyridyl (dmbpy) compounds, [Cu(dmbpy)<sub>2</sub>]<sub>2</sub>[<i>M</i>F<sub>6</sub>]·<i>x</i>H<sub>2</sub>O (<i>M</i> = Zr, Hf; <i>x</i> = 1.134, 0.671).

Wang Yiran Y   Nisbet Matthew L ML   Poeppelmeier Kenneth R KR  

Acta crystallographica. Section E, Crystallographic communications 20210720 Pt 8

The syntheses and crystal structures of two bimetallic mol-ecular compounds, namely, bis[bis-(6,6'-dimethyl-2,2'-bi-pyridine)-copper(I)] hexa-fluorido-zir-con-ate(IV) 1.134-hydrate, [Cu(dmbpy)<sub>2</sub>]<sub>2</sub>[ZrF<sub>6</sub>]·1.134H<sub>2</sub>O (dmbpy = 6,6'-di-methyl-2,2'-bipyri-dyl, C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>), (I), and bis[bis-(6,6'-dimethyl-2,2'-bi-pyr-idine)-copper(I)] hexa-fluorido-hafnate(IV) 0.671-hydrate, [Cu(dmbpy)<sub>2</sub>]<sub>2</sub>[HfF<sub>6</sub>]·0.67  ...[more]

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