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Crystal structure of poly[[(?3-hydroxido-?3 O:O:O)(?3-selenato-?3 O 1:O 2:O 3)tris-[?3-2-(1,2,4-triazol-4-yl)acetato-?3 N 1:N 2:O]tricopper(II)] dihydrate].

ABSTRACT: The title coordination polymer, {[Cu3(C4H4N3O9)3(SeO4)(OH)]·2H2O} n or ([Cu3(?3-OH)(trgly)3(SeO4)]·2H2O), crystallizes in the monoclinic space group P21/c. The three independent Cu2+ cations adopt distorted square-pyramidal geometries with {O2N2+O} polyhedra. The three copper centres are bridged by a ?3-OH anion, leading to a triangular [Cu3(?3-OH)] core. 2-(1,2,4-Triazol-4-yl)acetic acid (trgly-H) acts in a deprotonated form as a ?3-?3 N 1:N 2:O ligand. The three triazolyl groups bridge three copper centres of the hydroxo-cluster in an N 1:N 2 mode, thus supporting the triangular geometry. The [Cu3(?3-OH)(tr)3] clusters serve as secondary building units (SBUs). Each SBU can be regarded as a six-connected node, which is linked to six neighbouring triangles through carboxyl-ate groups, generating a two-dimensional uninodal (3,6) coordination network. The selenate anion is bound in a ?3-?3 O 1:O 2:O 3 fashion to the trinuclear copper platform. The [Cu3(OH)(trgly)3(SeO4)] coordination layers and guest water mol-ecules are linked together by numerous O-H?O and C-H?O hydrogen bonds, leading to a three-dimensional structure.

SUBMITTER: Domasevitch KV 

PROVIDER: S-EPMC6690454 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of poly[[(μ<sub>3</sub>-hydroxido-κ<sup>3</sup> <i>O</i>:<i>O</i>:<i>O</i>)(μ<sub>3</sub>-selenato-κ<sup>3</sup> <i>O</i> <sup>1</sup>:<i>O</i> <sup>2</sup>:<i>O</i> <sup>3</sup>)tris-[μ<sub>3</sub>-2-(1,2,4-triazol-4-yl)acetato-κ<sup>3</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>:<i>O</i>]tricopper(II)] dihydrate].

Domasevitch Kostiantyn V KV   Lysenko Andrey B AB  

Acta crystallographica. Section E, Crystallographic communications 20190716 Pt 8

The title coordination polymer, {[Cu<sub>3</sub>(C<sub>4</sub>H<sub>4</sub>N<sub>3</sub>O<sub>9</sub>)<sub>3</sub>(SeO<sub>4</sub>)(OH)]·2H<sub>2</sub>O} <sub><i>n</i></sub> or ([Cu<sub>3</sub>(μ<sub>3</sub>-OH)(trgly)<sub>3</sub>(SeO<sub>4</sub>)]·2H<sub>2</sub>O), crystallizes in the monoclinic space group <i>P</i>2<sub>1</sub>/<i>c</i>. The three independent Cu<sup>2+</sup> cations adopt distorted square-pyramidal geometries with {O<sub>2</sub>N<sub>2</sub>+O} polyhedra. The three copper cent  ...[more]

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