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首页> 外文期刊>IUCrData >Bis(lysine-κ2N,O)hexa-μ2-oxido-hexa-oxidobis(1,10-phenanthroline-κ2N,N′)dicopper(II)tetravanadium(V) tetra-hydrate
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Bis(lysine-κ2N,O)hexa-μ2-oxido-hexa-oxidobis(1,10-phenanthroline-κ2N,N′)dicopper(II)tetravanadium(V) tetra-hydrate

机译:双(赖氨酸-κ2N,O)六-μ2-氧化-六-氧化双(1,10-菲咯啉-κ2N,N')双铜(II)四钒(V)四水合物

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摘要

The heterometallic coordination compound [Cu(Lys)(phen)]2V4O124H2O (Lys is the amino acid lysine, C6H14N2O2, and phen is 1,10-phenanthroline, C12H8N2) lies across an inversion centre. Two [Cu(Lys)(phen)]2+ units coordinate to the cyclo-vanadate fragment and the formula unit is completed by four solvent water molecules. The lysine ligand is in the zwitterionic form and chelates the CuII atom via the -NH2 and -COO donor groups, while the "-NH3 + group is involved in intramolecular hydrogen bonds with the central [V4O12] 4 core and with solvent water molecules. In the crystal, N—HO and O—HO hydrogen bonds connect the components of the structure to form a threedimensional network. The crystal structure is further stabilized by – interactions involving the phen ligands. The lysine group is disordered over two sets of sites with refined occupancies of 0.534 (11) and 0.466 (11).
机译:杂金属配位化合物[Cu(Lys)(phen)] 2V4O124H2O(Lys是氨基酸赖氨酸C6H14N2O2,而phen是1,10-菲咯啉,C12H8N2)横跨一个反转中心。两个[Cu(Lys)(phen)] 2+单元与环钒酸盐片段配合,式单元由四个溶剂水分子完成。赖氨酸配体为两性离子形式,并通过-NH2和-COO供体基团与CuII原子螯合,而“ -NH3 +基团则与分子中的氢键相连,与中心[V4O12] 4核心和溶剂水分子有关。在晶体中,N-HO和O-HO氢键将结构的各个部分连接起来,形成三维网络,晶体结构通过–涉及phen配体的相互作用进一步稳定,赖氨酸基团在两组位点上无序排列,精确的入住率分别为0.534(11)和0.466(11)。

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