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Journal of Structural Chemistry

2010 year, number 4

CRYSTAL STRUCTURE OF IRIDIUM(III) trans-TRIFLUOROACETYLACETONATE

K. V. Zherikova, N. V. Kuratieva, I. A. Baidina, N. B. Morozova
Keywords: iridium(III), ?-diketonate, trans-isomer, X-ray diffraction analysis
Pages: 796-799

Abstract

Single crystal X-ray diffraction analysis is used to determine the structure of iridium(III) trans-trifluoroacetylacetonate at 150 K. The crystallographic data for trans-C15H12F9O6Ir are as follows: a = 13.4334(5) Å, b = 14.9136(6) Å, c = 19.4229(8) Å, space group Pcab, V = 3891.2(3) Å3, Z = 8, dx = 2.224 g/cm3, R = 0.0236. The structure is molecular. The metal atom coordinates six oxygen atoms of three β-diketonate ligands of β-diketone. The Ir-O distances are within the range of 2.00 Å to 2.02 Å; the average value is 2.011(6) Å; the average value of the chelate angle ∠О-Ir-O is 95.2(5)°. In the crystal, the molecules are bound only by van der Waals interactions; six shortest Ir…Ir distances in the structure are within the range of 7.469-9.712 Å.