Structure of Yb Complex with 3-nitro-1,2,4-triazol-5-one

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Journal of the Korea Institute of Military Science and Technology 2001;4(1):198-206.

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3-nitro-1,2,4-triazol-5-one의 Yb 착물 구조

김광주, 김재경, 오기환

국방과학연구소

Abstract

The structure of Yb complex with 3-nitro-1,2,4-triazol-5-one(NTO), $[Yb(NTO)3(H2O)4].5H2O$ has been investigated by X-ray diffraction method. Crystallographic data for the title compound : monoclinic, C2/c, $a=36.925(2){AA},$ b=6.6770(4)${AA},$ c=25.6376(15)${AA},$ {eta}=130.978(1)^{circ},$ V=4772.0(5)${AA}^3,$ Z=8, $D_c,=1.952; Mg/m^3.$ The intensity data were collected on a Broker SMART diffractometer equipped with a CCD area detector using Mo $Kalpha$ radiation. The structure was solved by direct method and refined by full-matrix least-squares calculations to a final R value of 0.0424 for 4727 independent reflections and 335 parameters. The three carbonyls of three NTO anions and four ligand water molecules which are formed the pentagonal bipyramid are coordinated with $Yb^{3+}$ and also five water molecules are included in the form of the crystal water in the molecular structure.