Dataset Information

Crystal structure of a Co^II coordination polymer: catena-poly[[μ-aqua-bis-(μ-2-methyl-propano-ato)-κ²O:O';κ²O:O-cobalt(II)] monohydrate].

ABSTRACT: In the title cobalt(II) coordination polymer with isobutyrate ligands, {[Co{CH(CH₃)₂CO₂}₂(H₂O)]·H₂O} _n , the Co²⁺ ion is hexa-coordinated in a slightly distorted octa-hedral coordination environment defined by two O atoms from two bridging water mol-ecules and four O atoms from four bridging carboxyl-ate ligands. The carboxyl-ates adopt two different coordination modes, μ-(κ²O:O') and μ-(κ²O:O), forming a one-dimensional polymeric chain extending along [010]. The intra-chain cobalt⋯cobalt separation is 3.2029 (2) Å. The polymeric chains are linked by hydrogen bonds involving the water mol-ecules of solvation, giving a two-dimensional network structure lying parallel to (100).

SUBMITTER: Fischer AI

PROVIDER: S-EPMC5347044 | biostudies-literature | 2017 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

Crystal structure of a CoII coordination polymer: catena-poly[[μ-aqua-bis-(μ-2-methyl-propano-ato)-κ2O:O';κ2O:O-cobalt(II)] monohydrate].

Fischer Andrei I AI Gurzhiy Vladislav V VV Aleksandrova Julia V JV Pakina Maria I MI

Acta crystallographica. Section E, Crystallographic communications 20170203 Pt 3

In the title cobalt(II) coordination polymer with isobutyrate ligands, {[Co{CH(CH3)2CO2}2(H2O)]·H2O} n , the Co2+ ion is hexa-coordinated in a slightly distorted octa-hedral coordination environment defined by two O atoms from two bridging water mol-ecules and four O atoms from four bridging carboxyl-ate ligands. The carboxyl-ates adopt two different coordination modes, μ-(κ2O:O</i ...[more]

PMID: 28316799

Similar Datasets

Project description:The crystal structures of catena-poly[[μ-aqua-di-aqua-(μ3-2-methyl-propano-ato-κ4 O:O,O':O')calcium] 2-methyl-propano-ate dihydrate], {[Ca(C4H7O2)(H2O)3](C4H7O2)·2H2O} n , (I), catena-poly[[μ-aqua-di-aqua-(μ3-2-methyl-propano-ato-κ4 O:O,O':O')strontium] 2-methyl-propano-ate dihydrate], {[Sr(C4H7O2)(H2O)3](C4H7O2)·2H2O} n , (II), and catena-poly[[μ-aqua-di-aqua-(μ3-2-methyl-propano-ato-κ4 O:O,O':O')(calcium/strontium)] 2-methyl-propano-ate dihydrate], {[(Ca,Sr)(C4H7O2)(H2O)3](C4H7O2)·2H2O} n , (III), are related. (III) can be considered as an Sr-containing solid solution of (I), with Ca2+ and Sr2+ occupationally disordered in the ratio 0.7936 (16):0.2064 (16). (I)/(III) and (II) are homeotypic with different space groups of Pbca and Cmce, respectively. All the title crystal structures are composed of hydro-philic sheets containing the cations, carboxyl-ate groups as well as water mol-ecules. The hydro-phobic layers, which consist of 2-methyl-propano-ate chains, surround the hydro-philic sheets from both sides, thus forming a sandwich-like structure extending parallel to (001). The cohesion forces within these sheets are the cation-oxygen bonds and O-H⋯O hydrogen bonds of moderate strength. Stacking of these sandwiches along [001] is consolidated by van der Waals forces. The structures contain columns defined by the cation-oxygen inter-actions in which just one symmetry-independent 2-methyl-propano-ate anion is included, together with three water mol-ecules. These mol-ecules participate in an irregular coordination polyhedron composed of eight O atoms around the cation. Additional water mol-ecules as well as the second 2-methyl-propano-ate anion are not part of the coordination sphere. These mol-ecules are connected to the above-mentioned columns by O-H⋯O hydrogen bonds of moderate strength. In (II), the Sr2+ cation, two of the coordinating water mol-ecules and both anions are situated on a mirror plane with a concomitant positional disorder of the 2-methyl-propyl groups; the non-coordinating water mol-ecule also shows positional disorder of its hydrogen atom.

Dataset Information

Crystal structure of a Co^II coordination polymer: catena-poly[[μ-aqua-bis-(μ-2-methyl-propano-ato)-κ²O:O';κ²O:O-cobalt(II)] monohydrate].

Publications

Crystal structure of a Co<sup>II</sup> coordination polymer: <i>catena</i>-poly[[μ-aqua-bis-(μ-2-methyl-propano-ato)-κ<sup>2</sup><i>O</i>:<i>O</i>';κ<sup>2</sup><i>O</i>:<i>O</i>-cobalt(II)] monohydrate].

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets