STRUCTURES OF [HNET3]+ AND [ME3NCH2C6H5]+ SALTS OF [7,8-PH2-7,8-NIDO-C2B9H10]-

被引:21
作者
COWIE, J
DONOHOE, DJ
DOUEK, NL
WELCH, AJ
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关键词
D O I
10.1107/S0108270192012137
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Triethylammonium 7,8-diphenyl-7,8-dicarba-nido-decahydroundecaborate(1-), C6Hl6N+.C14-H20B9-, M(r) = 387.80, triclinic, P1BAR, a = 11.014 (4), b = 11.030 (7), c = 12.333 (6) angstrom, alpha = 67.83 (5), beta = 80.78 (4), gamma = 60.20 (5)degrees, V = 1203.3 angstrom3, Z = 2, D(x) = 1.070 Mg m-3, lambda(Mo Kalpha) = 0.71069 angstrom, mu = 0.052 mm-1, F(000) = 416, T = 291 (1) K, R = 0.1074 for 3289 independent observed reflections. Benzyltrimethylammonium 7,8-diphenyl-7,8-dicarba-nido-decahydroundecaborate(1-), C10H16N+.-C14H20B9-, M(r) = 435.85, monoclinic, P2(1)/n, a = 10.751 (4), b = 21.662 (4), c = 11.9745 (25) angstrom, beta = 106.592 (23)degrees, V = 2672.5 angstrom3, Z = 4, D(x) = 1.083 Mg m-3, lambda(Mo Kalpha) = 0.71069 angstrom, mu = 0.053 mm-1, F(000) = 928, T = 185 (1) K, R = 0.0637 for 3857 independent observed reflections. In both determinations, the phenyl substituents lie very roughly orthogonal to the open C2B3 face of the anion, pairs of rings being twisted (in a conrotatory manner) by an average of 7.8-degrees for the [HNEt3] + salt, and 19.0-degrees for the [Me3NCH2C6H5]+ salt, from this extreme. In the latter case, this twist is traced to interion contacts. The C(cage)-C(cage) distances, 1.590 (5) and 1.602 (3) angstrom, respectively, and the mean facial B-B and facial B-C distances are discussed in relation to the equivalent distances in 1,2-Ph2-1,2-closo-C2B10H10.
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页码:710 / 714
页数:5
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