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(?-3,4-Diacetyl-hexa-2,4-diene-2,5-diol-ato-?O,O:O,O)bis-[aqua(1,10-phen-an-thro-line-?N,N')copper(II)] bis-(tetra-fluorid-oborate) monohydrate.

ABSTRACT: In the title compound, [Cu(2)(C(10)H(12)O(4))(C(12)H(8)N(2))(2)(H(2)O)(2)](BF(4))(2)·H(2)O, the two Cu atoms are each chelated by the acetyl-acetonate unit of the 3,4-diacetyl-hexa-2,4-diene-2,5-diolate (tae) ligand. The Cu atoms are square-pyramidally penta-coordinated, with one bidentate 1,10-phenanthroline (phen) and the tae ligand basal and one water mol-ecule apical. The pyridyl rings of the phen ligands participate in ?-? [centroid-centroid distance = 3.894?(3)?Å] and C-H ? ? inter-actions, generating layers which are inter-connected through O-H?O and O-H?F hydrogen bonds between the water mol-ecules and the tetra-fluorido-borate anions. The F atoms of both tetra-fluorido-borate anions are each disordered over two positions of equal occupancy.

SUBMITTER: Tovilla JA 

PROVIDER: S-EPMC2969010 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

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(μ-3,4-Diacetyl-hexa-2,4-diene-2,5-diol-ato-κO,O:O,O)bis-[aqua(1,10-phen-an-thro-line-κN,N')copper(II)] bis-(tetra-fluorid-oborate) monohydrate.

Tovilla Jorge A JA   Hernández-Ortega Simón S   Valdés-Martínez Jesús J  

Acta crystallographica. Section E, Structure reports online 20090306 Pt 4

In the title compound, [Cu(2)(C(10)H(12)O(4))(C(12)H(8)N(2))(2)(H(2)O)(2)](BF(4))(2)·H(2)O, the two Cu atoms are each chelated by the acetyl-acetonate unit of the 3,4-diacetyl-hexa-2,4-diene-2,5-diolate (tae) ligand. The Cu atoms are square-pyramidally penta-coordinated, with one bidentate 1,10-phenanthroline (phen) and the tae ligand basal and one water mol-ecule apical. The pyridyl rings of the phen ligands participate in π-π [centroid-centroid distance = 3.894 (3) Å] and C-H ⋯ π inter-actions  ...[more]

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