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Tris-(?4-azepane-1-carbodi-thio-ato)bis-(?3-azepane-1-carbodi-thio-ato)-?9-bromido-tetra-?2-bromido-octa-copper(I)-copper(II).

ABSTRACT: The reaction of Cu(Hm-dtc)2 (H2m-dtc is azepane-1-carbodi-thioic acid), CuBr2 and methyl iso-thio-cyanate yielded the title mixed-valence nona-nuclear Cu(I)/Cu(II) compound, [Cu9Br5(C7H12NS2)5] or [Cu(I) 8Cu(II)Br5(Hm-dtc)5], encapsulating a bromide anion in the center of the Cu9Br4S10 cluster cage. The cage consists of a mononuclear Cu(II) unit [Cu(Hm-dtc)2], three ?4-bridging Hm-dtc(-) ligands, eight Cu(I) ions with distorted tetra-hedral or trigonal pyramidal coordination geometries and four ?2-bridging bromide anions. The incorporated central bromide anion inter-acts with nine Cu ions with shorter Cu-Br separations than the sum of the van der Waals radii for Cu and Br.

SUBMITTER: Okubo T

PROVIDER: S-EPMC3647813 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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Tris-(μ4-azepane-1-carbodi-thio-ato)bis-(μ3-azepane-1-carbodi-thio-ato)-μ9-bromido-tetra-μ2-bromido-octa-copper(I)-copper(II).

Okubo Takashi T Anma Haruho H Maekawa Masahiko M Kuroda-Sowa Takayoshi T

Acta crystallographica. Section E, Structure reports online 20130420 Pt 5

The reaction of Cu(Hm-dtc)2 (H2m-dtc is azepane-1-carbodi-thioic acid), CuBr2 and methyl iso-thio-cyanate yielded the title mixed-valence nona-nuclear Cu(I)/Cu(II) compound, [Cu9Br5(C7H12NS2)5] or [Cu(I) 8Cu(II)Br5(Hm-dtc)5], encapsulating a bromide anion in the center of the Cu9Br4S10 cluster cage. The cage consists of a mononuclear Cu(II) unit [Cu(Hm-dtc)2], three μ4-bridging Hm-dtc(-) ligands, eight Cu(I) ions with distorted tetra-hedral or trigonal pyramidal coordination geometries and four ...[more]

PMID: 23723779

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