Tang Si-Ping, Kuang Dai-Zhi, Feng Yong-Lan, Chen Man-Sheng, Li Wei
Key Laboratory of Functional Organometallic Materials, Hengyang Normal University, Hengyang, Hunan 421008, People's Republic of China .
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 6;65(Pt 7):m731. doi: 10.1107/S1600536809020753.
The title complex, CuFe(C(5)H(5))(C(20)H(14)N(3))(C(12)H(8)N(2))(2)·C(2)H(3)N, consists of a mononuclear Cu(C(12)H(8)N(2))(C(25)H(19)FeN(3)) cation, two ClO(4) (-) anions (one of which is disordered over two positions with equal occupancy) and one CH(3)CN solvent mol-ecule. The Cu(II) center has a distorted square-pyramidal coordination with three N atoms of the 4'-ferrocenyl-2,2':6',2''- terpyridine (fctpy) ligand and one 1,10-phenanthroline (phen) N atom in the basal plane and a second phen N atom in the apical position with an axial distance of 2.254 (4) Å. The disordered ClO(4) (-) anion is weakly coordin-ated to the Cu(II) ion with a Cu-O distance of 2.766 (11) Å. The two cyclo-penta-dienyl rings of the ferrocenyl group are almost eclipsed with a deviation of 4.7 (1) °, and are involved in inter-molecular π-π inter-actions with the outer pyridyl rings of the fctpy ligands [centroid-centroid distance = 3.759 (2) Å.].
标题配合物CuFe(C₅H₅)(C₂₀H₁₄N₃)(C₁₂H₈N₂)₂·C₂H₃N由单核[Cu(C₁₂H₈N₂)(C₂₅H₁₉FeN₃)]²⁺阳离子、两个ClO₄⁻阴离子（其中一个在两个位置无序分布且占有率相等）和一个CH₃CN溶剂分子组成。Cu(II)中心具有扭曲的四方锥配位结构，在基面有4'-二茂铁基-2,2':6',2''-三联吡啶（fctpy）配体的三个N原子和一个1,10-菲咯啉（phen）N原子，在顶端位置有第二个phen N原子，轴向距离为2.254(4) Å。无序的ClO₄⁻阴离子与Cu(II)离子弱配位，Cu-O距离为2.766(11) Å。二茂铁基的两个环戊二烯基环几乎重叠，偏差为4.7(1)°，并与fctpy配体的外吡啶环参与分子间π-π相互作用[质心-质心距离 = 3.759(2) Å]。
