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

Citation
J. Cowie et al., STRUCTURES OF [HNET3]-PH2-7,8-NIDO-C2B9H10]-( AND [ME3NCH2C6H5]+ SALTS OF [7,8), Acta crystallographica. Section C, Crystal structure communications, 49, 1993, pp. 710-714
Citations number
16
Categorie Soggetti
Crystallography
ISSN journal
01082701
Volume
49
Year of publication
1993
Part
4
Pages
710 - 714
Database
ISI
SICI code
0108-2701(1993)49:<710:SO[A[S>2.0.ZU;2-T
Abstract
Triethylammonium phenyl-7,8-dicarba-nido-decahydroundecaborate(1-), C6 Hl6N+.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) = 1.0 70 Mg m-3, lambda(Mo Kalpha) = 0.71069 angstrom, mu = 0.052 mm-1, F(00 0) = 416, T = 291 (1) K, R = 0.1074 for 3289 independent observed refl ections. Benzyltrimethylammonium phenyl-7,8-dicarba-nido-decahydrounde caborate(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, la mbda(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 b oth determinations, the phenyl substituents lie very roughly orthogona l 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, respectivel y, and the mean facial B-B and facial B-C distances are discussed in r elation to the equivalent distances in 1,2-Ph2-1,2-closo-C2B10H10.