STRUCTURES AT 293-K AND 100-K OF BETA-TETRAKIS[BIS(ETHYLENEDITHIO)TETRATHIAFULVALENE] TETRACYANONICKELATE(II) - BETA-[BEDT-TTF]4[NI(CN)4]

被引:4
作者
FETTOUHI, M [1 ]
OUAHAB, L [1 ]
GRANDJEAN, D [1 ]
TOUPET, L [1 ]
机构
[1] UNIV RENNES 1,MATIERE CONDENSEE & MAT GRP,CNRS,URA 804,F-35042 RENNES,FRANCE
来源
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1993年 / 49卷
关键词
D O I
10.1107/S0108768192010279
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
[C10H8S8]4[Ni(CN)4], M(r) = 1701.53, F(000) = 864, lambda(Mo Kalpha) = 0.71073 angstrom. At 293 K: triclinic, P1BAR, a = 9.677 (7), b = 10.960 (6), c = 16.392 (8) angstrom, alpha = 95.95 (5), beta = 97.85 (5), gamma = 115.13 (5)degrees, V = 1533 (4) angstrom3, Z = 1, D(x) = 1.842 g cm-3, mu = 14.06 cm-1, R = 0.031 based on 3565 observed reflections with I greater-than-or-equal-to 6sigma(I). At 100 K: triclinic, P1BAR, a = 9.721 (4), b = 10.761 (4), c = 16.431 (5) angstrom, alpha = 95.87 (3), beta = 98.17 (4), lambda = 115.71 (3)degrees, V = 1507 (2) angstrom3, Z = 1, D(x) = 1.875 g cm-3, mu = 14.31 cm-1, R = 0.082 based on 3865 observed reflections with I greater-than-or-equal-to 6sigma(I). The C atoms of the terminal ethylenic groups of each independent BEDT-TTF molecule are statistically distributed on both sides of the molecular mean plane at room temperature. This phenomenon disappears at 100 K where the BEDT-TTF molecules adopt different conformations. The organic molecules develop tetramerized stacks along the [210] direction. The structure belongs to the beta type of the BEDT-TTF series.
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页码:685 / 691
页数:7
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