Zhu Li-Cai
School of Chemistry and Environment, South China Normal University, Guangzhou 510631, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):m1060-1. doi: 10.1107/S1600536811026821. Epub 2011 Jul 9.
The asymmetric unit of the title compound, CoGd(6)(C(5)H(2)N(2)O(4))(4)(SO(4))(6)(H(2)O)(14), contains a Co(II) ion (site symmetry [Formula: see text]), three Gd(III) ions, two imidazole-4,5-dicarboxyl-ate ligands, three SO(4) (2-) anions, and seven coordinated water mol-ecules. The Co(II) ion is six-coordinated by two O atoms from water mol-ecules, two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands, giving a slightly distorted octa-hedral geometry. The Gd(III) ions exhibit three types of coordination environments. One Gd ion is eight-coordinated in a bicapped trigonal-prismatic geometry by four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, two O atoms from two SO(4) (2-) anions and two coordinated water mol-ecules. The other Gd ions are nine-coordinated in a tricapped trigonal-prismatic geometry; one of these Gd ions is bonded to four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, three O atoms from three SO(4) (2-) anions and two water O atoms and the other Gd ion is coordinated by one O atom and one N atom from one imidazole-4, 5-dicarboxyl-ate ligand, five O atoms from three SO(4) (2-) anions as well as two coordinated water mol-ecules. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate and sulfate ligands, generating a three-dimensional network. The crystal structure is further stabilized by N-H⋯O, O-H⋯O, and C-H⋯O hydrogen-bonding inter-actions between water mol-ecules, SO(4) (2-) anions, and imidazole-4,5-dicarboxyl-ate ligands.
标题化合物[CoGd₆(C₅H₂N₂O₄)₄(SO₄)₆(H₂O)₁₄]ₙ的不对称单元包含一个Co(II)离子(位点对称性[化学式:见正文])、三个Gd(III)离子、两个咪唑-4,5-二羧酸根配体、三个SO₄²⁻阴离子和七个配位水分子。Co(II)离子由来自水分子的两个O原子、来自两个咪唑-4,5-二羧酸根配体的两个O原子和两个N原子六配位,形成略微扭曲的八面体几何构型。Gd(III)离子呈现三种类型的配位环境。一个Gd离子通过来自两个咪唑-4,5-二羧酸根配体的四个O原子、来自两个SO₄²⁻阴离子的两个O原子和两个配位水分子以双帽三角棱柱几何构型八配位。其他Gd离子以三帽三角棱柱几何构型九配位;其中一个Gd离子与来自两个咪唑-4,5-二羧酸根配体的四个O原子、来自三个SO₄²⁻阴离子的三个O原子以及两个水分子O原子键合,另一个Gd离子由来自一个咪唑-4,5-二羧酸根配体的一个O原子和一个N原子、来自三个SO₄²⁻阴离子的五个O原子以及两个配位水分子配位。这些金属配位单元通过桥连的咪唑-4,5-二羧酸根和硫酸根配体连接,形成三维网络。晶体结构通过水分子、SO₄²⁻阴离子和咪唑-4,5-二羧酸根配体之间的N-H⋯O、O-H⋯O和C-H⋯O氢键相互作用进一步稳定。