Schmalle H W, Gyr E, Dubler E
Institute of Inorganic Chemistry, University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland. schmalle@aci. unizh.ch
Acta Crystallogr C. 2000 Aug;56 ( Pt 8):957-9. doi: 10.1107/s0108270100008118.
Single crystals of the title complex, tris(1, 6-dihydro-9H-purine-6-thione-N(7),S)iron(II) tetrachloroferrate(III) chloride, [Fe(C(5)H(4)N(4)S)(3)][FeCl(4)]Cl, were grown on the surface of solid 6-mercaptopurine monohydrate pellets in a solution of iron(III) chloride. The solution of the hexagonal structure required the application of twin refinement techniques. All the component ions lie on threefold rotation axes. The complex contains distorted octahedral Fe(C(5)H(4)N(4)S)(3) cations with three N7/S6-chelating neutral 6-mercaptopurine ligands, tetrahedral FeCl(4) anions with a mean Fe-Cl distance of 2.189 (1) A, and free chloride ions.
标题配合物三（1,6 - 二氢 - 9H - 嘌呤 - 6 - 硫酮 - N(7),S）铁（II）四氯铁（III）氯化物，[Fe(C₅H₄N₄S)₃][FeCl₄]Cl的单晶，在六水合6 - 巯基嘌呤固体颗粒表面，于氯化铁溶液中生长。六方结构的溶液需要采用孪晶细化技术。所有组成离子都位于三重旋转轴上。该配合物包含畸变的八面体[Fe(C₅H₄N₄S)₃]²⁺阳离子，带有三个N7/S6 - 螯合中性6 - 巯基嘌呤配体，四面体[FeCl₄]⁻阴离子，平均Fe - Cl距离为2.189(1) Å，以及游离氯离子。
