Tovilla Jorge A, Hernández-Ortega Simón, Valdés-Martínez Jesús
Instituto de Química, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, 04510 Coyoacán, México, DF, Mexico.
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 6;65(Pt 4):m366-7. doi: 10.1107/S1600536809006898.
In the title compound, Cu(2)(C(10)H(12)O(4))(C(12)H(8)N(2))(2)(H(2)O)(2)(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, 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.
在标题化合物Cu₂(C₁₀H₁₂O₄)(C₁₂H₈N₂)₂(H₂O)₂₂·H₂O中,两个铜原子均由3,4 - 二乙酰基 - 己 - 2,4 - 二烯 - 2,5 - 二醇酸酯(tae)配体的乙酰丙酮单元螯合。铜原子呈方锥型五配位,一个双齿1,10 - 菲咯啉(phen)和tae配体位于基底,一个水分子位于顶端。phen配体的吡啶环参与π - π [质心 - 质心距离 = 3.894 (3) Å]和C - H⋯π相互作用,形成层状结构,这些层通过水分子与四氟硼酸根阴离子之间的O - H⋯O和O - H⋯F氢键相互连接。两个四氟硼酸根阴离子的氟原子均在两个占有率相等的位置上无序分布。