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Redetermination of catena-poly[[chlorido-(thio-urea-?S)copper(I)]-?-thio-urea-?S:S] at 100?K.

ABSTRACT: The structure of the polymeric title compound, [CuCl(CH(4)N(2)S)(2)](n), has been redetermined to modern standards of precision with anisotropic refinement and location of the H atoms. The previous structure report [Spofford & Amma (1970 ?). Acta Cryst. B26, 1474-1483] is generally confirmed to higher precision [typical Cu-S bond length s.u. values = 0.005 (old) and 0.001?Å (new)]. The asymmetric unit contains two formula units, with both Cu(I) atoms coordinated by one terminal S atom and two bridging S atoms of thio-urea ligands. This connectivity leads to polymeric [100] chains in the crystal. If very long contacts to nearby chloride ions [2.8687?(9) and 3.1394?(12)?Å] are considered to be bonding, then very distorted CuS(3)Cl tetra-hedral coordination polyhedra arise. The crystal structure is consolidated by weak intra- and inter-chain N-H?S and N-H?Cl hydrogen bonds.

SUBMITTER: Zouihri H

PROVIDER: S-EPMC3297225 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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Redetermination of catena-poly[[chlorido-(thio-urea-κS)copper(I)]-μ-thio-urea-κS:S] at 100 K.

Zouihri Hafid H

Acta crystallographica. Section E, Structure reports online 20120210 Pt 3

The structure of the polymeric title compound, [CuCl(CH(4)N(2)S)(2)](n), has been redetermined to modern standards of precision with anisotropic refinement and location of the H atoms. The previous structure report [Spofford & Amma (1970 ▶). Acta Cryst. B26, 1474-1483] is generally confirmed to higher precision [typical Cu-S bond length s.u. values = 0.005 (old) and 0.001 Å (new)]. The asymmetric unit contains two formula units, with both Cu(I) atoms coordinated by one terminal S atom and two br ...[more]

PMID: 22412415

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