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Redetermination of diaqua-tetra-kis-(dimethyl-formamide-?O)magnesium dichloride.

ABSTRACT: The crystal structure of the title compound, [Mg(C(3)H(7)NO)(4)(H(2)O)(2)]Cl(2), in which the Mg ion lies on a crystallographic inversion centre, confirms that of the previous room-temperature study [Pavanello et al. (1995 ?). Main Group Met. Chem.18, 9-19]. This redetermination at 113?K has improved geometry precision by almost an order of magnitude [e.g. Mg-O(w) (w = water) distances = 2.094?(4) and 2.0899?(7)?Å in the old and new structures, respectively] and allowed the water H atoms to be located and their positions refined. In the crystal, O-H?Cl hydrogen bonds between the two aqua ligands of the complex mol-ecule and neighboring chloride counter-anions generate supra-molecular chains propagating along [010]. The dicationic [Mg(DMF)(4)(H(2)O)(2)] unit (DMF is dimethyl-formamide) adopts a slightly distorted octa-hedral geometry in which the Mg atom is coordinated by four DMF O atoms in a pseudo-tetra-gonal arrangement and two trans aqua ligands.

SUBMITTER: Reiss GJ

PROVIDER: S-EPMC3212177 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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Redetermination of diaqua-tetra-kis-(dimethyl-formamide-κO)magnesium dichloride.

Reiss Guido J GJ Boldog Ishtvan I Janiak Christoph C

Acta crystallographica. Section E, Structure reports online 20110723 Pt 8

The crystal structure of the title compound, [Mg(C(3)H(7)NO)(4)(H(2)O)(2)]Cl(2), in which the Mg ion lies on a crystallographic inversion centre, confirms that of the previous room-temperature study [Pavanello et al. (1995 ▶). Main Group Met. Chem.18, 9-19]. This redetermination at 113 K has improved geometry precision by almost an order of magnitude [e.g. Mg-O(w) (w = water) distances = 2.094 (4) and 2.0899 (7) Å in the old and new structures, respectively] and allowed the water H atoms to be l ...[more]

PMID: 22090879

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