Structure of diaquatetrakis(mu-2,6-difluorobenzoato-kappa O:kappa O')dicopper(II).
The structure consists of centrosymmetric dimeric units, [Cu(C6H3F2COO)2(H2O)]2, formed from the bridging of pairs of copper(II) ions by carboxylate groups from four different 2,6-difluorobenzoate anions. The distorted octahedral coordination about each CuII ion consists of four carboxylate O atoms, a water molecule and a centrosymmetrically related copper ion. The Cu...Cu distance is 2.613 (1) A. The most significant feature of the crystalline structure is the water-mediated coordination of one of the carbon-bound F atoms to the copper ion through a strong C--F...H--O hydrogen bond [F...O 2.962 (4) A, F...H--O 163 degrees]. Each 2,6-difluorobenzoate aryl group is twisted considerably from its corresponding carboxyl group plane [48.9, 104.2 degrees].
Karipides
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Department of Chemistry, Miami University, Oxford, Ohio 45056.
White
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D001565:Benzoates / Q000737:chemistry*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003300:Copper / Q000737:chemistry; D003460:Crystallization; D018360:Crystallography, X-Ray; D005583:Fourier Analysis; D006860:Hydrogen Bonding; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*
D001565:Benzoates; D009942:Organometallic Compounds; C085310:diaquatetrakis(mu-2,6-difluorobenzoato-kappaO-kappaO')dicopper(II); D003300:Copper