STRUCTURE OF TRIS(3,3',4,4'-TETRAMETHYL-2,2',5,5'-TETRASELENAFULVALENIUM) PHOSPHODODECATUNGSTATE - (TMTSF)3PW12O40

被引：15

作者：

OUAHAB, L ^{[1
]}

GRANDJEAN, D ^{[1
]}

BENCHARIF, M ^{[1
]}

机构：

[1] UNIV CONSTANTINE,INST CHIM,CONSTANTINE,ALGERIA

来源：

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 1991年 / 47卷 / 47期

关键词：

D O I：

10.1107/S0108270191004298

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

3C10H12Se4+.PW12O40(3-) M(r) = 4221.29, monoclinic, P2(1)/n, a = 11.733 (5), b = 18.461 (5), c = 16.223 (6) angstrom, beta = 98.05 (4)-degrees, V = 3479.2 angstrom 3, Z = 2, D(x) = 4.03 g cm-3, lambda(Mo K-alpha) = 0.71073 angstrom, mu = 265.07 cm-1, F(000) = 1495, T = 293 K, R = 0.053 based on 3152 observed reflections with I greater-than-or-equal-to 3-sigma(I). The crystal structure is built from PW12O40 units located at the origin of the lattice and stacks of fully oxidized TMTSF molecules parallel to the [100] direction. Criss-cross and ring-over-double-bond types of overlap are observed within the organic stack. The Se...Se [3.633 (6) and 3.613 (5) angstrom] contacts between molecules of the B type are significantly shorter than the corresponding (4 angstrom) van der Waals separation. The contacts between molecules A and B are Se2...Se5 = 3.898 (5) and Se3...Se5 = 3.909 (5) angstrom. Additionally, the Se...O contacts range from 3.00 to 3.31 angstrom indicating strong organic-inorganic interactions.

引用

页码：2670 / 2672

页数：3

共 6 条

[1]

ATTANASIO D, 1990, J CHEM SOC DALTON, V11, P3221

[2] DODECATUNGSTOPHOSPHORIC ACID HEXAHYDRATE, (H5O2+)3(PW12O403-) - TRUE STRUCTURE OF KEGGINS PENTAHYDRATE FROM SINGLE-CRYSTAL X-RAY AND NEUTRON-DIFFRACTION DATA [J].