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Licensed Unlicensed Requires Authentication Published by De Gruyter (O) July 28, 2010

Crystal structure and bonding of tetrakis(tert-butyl-ammonium) β-octamolybdate(VI) hexahydrate

Abstract

The title compound, (HC4H11N)4 [Mo8O26] · 6 H2O, M = 1588.18 crystallizes in the monoclinic system, space group P21/c, with cell dimensions a = 10.909(3), b = 9.927(2), c = 22.018(4) Å, β = 101.73(2)°, Dx = 2.259, Do = 2.257(1) Mg/m3, Z = 2. The structure has been refined to R = 0.028 and Rw = 0.030 for 3041 observed reflexions with I > 3 σ(I). The unit cell contains discrete centrosymmetric polyanions β-[Mo8O26]4−, (HC4H11N)+ cations and water molecules. Both cations and water molecules are oriented to permit hydrogen contacts with either molybdate oxygen atoms and water oxygen atoms to form an extensive network of hydrogen bonds. Seven different types of hydrogen contacts have been found: N–H…O, N–H…Ow, Ow,–Hw…N, Ow–Hw…O, Ow–Hw…Ow, C–H…O and C–H…Ow. The proposed hydrogen-bonding interactions appear to stabilize the crystal structure. The compound shows a relative low thermal stability and its water molecules are lost between 58 and 150°C in an oxygen-argon atmosphere during an endothermic process.

Published Online: 2010-7-28
Published in Print: 1993-2-1

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