Mys'kiv Marian, Goreshnik Evgeny
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 23;66(Pt 11):m1453-4. doi: 10.1107/S160053681004225X.
In the title compound, Cu(C(2)H(6)N(5))(2)(SiF(6))(3), the asymmetric unit is composed of one Cu(HL)(2) cation (where L is 3,5-diamino-1,2,4-triazole) and one and a half SiF(6) (2-) anions. The rather large positively charged guanazole ligand moiety promotes the low metal coordination number of 2 for the Cu(I) atom. The compound was obtained using the electrochemical alternating-current technique starting from an ethanol-methanol solution of CuSiF(6)·4H(2)O and guanazole. In the crystal, N-H⋯F hydrogen bonds play an important role in the formation of a three-dimensional network. As a result of these hydrogen bonds, there are also π-π inter-actions [centroid-centroid distance = 3.3024 (14) Å] involving one of the triazole groups in mol-ecules related by an inversion center, and short Cu⋯N inter-actions [2.909 (3) Å] involving an -NH(2) group, leading to the formation of a dimer-like arrangement.
在标题化合物[Cu(C₂H₆N₅)₂]₂(SiF₆)₃中,不对称单元由一个[Cu(HL)₂]³⁺阳离子(其中L为3,5 - 二氨基 - 1,2,4 - 三唑)和一个半SiF₆²⁻阴离子组成。带正电荷的胍唑配体部分较大,使得Cu(I)原子的金属配位数为2。该化合物是采用电化学交流技术,以CuSiF₆·4H₂O和胍唑的乙醇 - 甲醇溶液为起始原料制得的。在晶体中,N - H⋯F氢键在三维网络的形成中起重要作用。由于这些氢键的存在,还存在涉及由对称中心相关的分子中一个三唑基团的π - π相互作用[质心 - 质心距离 = 3.3024 (14) Å],以及涉及一个 - NH₂基团的短Cu⋯N相互作用[2.909 (3) Å],导致形成二聚体状排列。