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Penta-aqua-(di-methyl-formamide)-cobalt(II) sulfate di-methyl-formamide monosolvate.

ABSTRACT: The title compound, [Co(C3H7NO)(H2O)5]SO4·C3H7NO, contains five aqua ligands, a Co(II) atom, a sulfate ion and both a coordinating and a non-coordinating di-methyl-formamide (DMF) mol-ecule. The DMF solvent mol-ecule lies between the complex units, which are located along the b axis. The sulfate ion is for charge balance. The Co(II) atom has distorted octa-hedral coordination geometry, being ligated by five aqua ligands and the O atom of the DMF ligand. O-H?O hydrogen bonds between the aqua ligands and the sulfate anion and non-coordinating DMF molecule lead to the formation of a three-dimensional network. Since all constituents lie on a mirror plane, the H atoms of all methyl groups and of one of the aqua ligands are equally disordered over two positions.

SUBMITTER: Tas M

PROVIDER: S-EPMC3772413 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Penta-aqua-(di-methyl-formamide)-cobalt(II) sulfate di-methyl-formamide monosolvate.

Taş Murat M Camur Seval S Topal Sevim S

Acta crystallographica. Section E, Structure reports online 20130608 Pt 7

The title compound, [Co(C3H7NO)(H2O)5]SO4·C3H7NO, contains five aqua ligands, a Co(II) atom, a sulfate ion and both a coordinating and a non-coordinating di-methyl-formamide (DMF) mol-ecule. The DMF solvent mol-ecule lies between the complex units, which are located along the b axis. The sulfate ion is for charge balance. The Co(II) atom has distorted octa-hedral coordination geometry, being ligated by five aqua ligands and the O atom of the DMF ligand. O-H⋯O hydrogen bonds between the aqua liga ...[more]

PMID: 24046556

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Project description:The title compound [Mn6(C7H4NO3)5(C3H5O2)2(C4H6N2)4.17(C3H7NO)1.83]·0.24C3H7NO·1.36CH3OH or Mn(II)(C3H5O2)2[15-MCMn(III)N(shi)-5](Me-Im)4.17(DMF)1.83·0.24DMF·1.36MeOH (where MC is metallacrown, shi(3-) is salicyl-hydroximate, Me-Im is 1-methyl-imidazole, DMF is N,N-di-methyl-formamide, and MeOH is methanol), contains an Mn(II) ion in the central cavity and five Mn(III) ions in the MC ring. The central Mn(II) ion is seven coordinate and has a geometry best described as distorted face-capped trigonal prismatic with ? angles of 6.13, 10.36, and 11.73° and an estimated average s/h ratio of 1.03±0.11. Four of the ring Mn(III) ions are six coordinate with distorted octa-hedral geometries. Two of the Mn(III) ions have ? absolute stereoconfiguration, while the other two Mn(III) ions have a planar configuration. The fifth Mn(III) ion is five coordinate and has a distorted square pyramidal geometry with ? = 0.20. Three of the Mn(III) ions bind one 1-methyl-imidazole ligand. Two of the ring Mn(III) ions have a 1-methyl-imidazole and a DMF disordered over a coordination site. For one of the ring Mn(III) ions, the occupancy ratio of the ligands refines to 0.51?(1):0.49?(1) in favor of the DMF. For the other ring Mn(III) ion, the occupancy ratio of the ligands refines to 0.68?(1):0.32?(1) in favor of the 1-methyl-imidazole. Two propionate anions serve to bridge the central Mn(II) ion between two different Mn(III) ions. The methyl groups of the bridging propionate anions are disordered over two positions. The methyl group disorder also induces disorder in the H atoms of the adjacent methyl-ene C atom to the same degree. For one of the propionate anions, the occupancy ratio refines to 0.752?(8):0.248?(8) and for the second, the occupancy ratio refines to 0.604?(6):0.396?(6). In addition, the disorder of the methyl group of the latter propionate anion is correlated with a partially occupied [0.604?(6)] methanol mol-ecule. Furthermore, a methanol mol-ecule and a DMF mol-ecule are positionally disordered in the lattice. The occupancy refines to 0.757?(7):0.243?(7) in favor of the methanol mol-ecule. Correlated to the occupancy of the methanol and DMF mol-ecules is a disordered benzene ring of one salicyl-hydroximate ligand. The benzene ring is disordered over two positions with an occupancy ratio of 0.757?(7):0.243?(7). Lastly, the two lattice methanol mol-ecules are hydrogen bonded to the 15-MC-5 mol-ecule. For the partially occupied methanol mol-ecule associated with the disordered propionate anion, the hydroxyl group of the methanol is hydrogen bonded to a carboxyl-ate O atom of the propionate anion. For the partially occupied methanol mol-ecule associated with the partially occupied lattice DMF mol-ecule, the hydroxyl group of the methanol is hydrogen bonded to the phenolate O atom of a salicyl-hydroximate ligand and to the carbonyl O atom of a coordinated DMF mol-ecule.

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Penta-aqua-(di-methyl-formamide)-cobalt(II) sulfate di-methyl-formamide monosolvate.

Publications

Penta-aqua-(di-methyl-formamide)-cobalt(II) sulfate di-methyl-formamide monosolvate.

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