TY - JOUR
T1 - Molecular and crystal structure of 3,3-bis(triethylphosphine)-1,2-di-carba-3-platinadodecaborane(11), and molecular-orbital analysis of the 'slip' distortion in carbametallaboranes
AU - Mingos, D. Michael P.
AU - Forsyth, Michael I.
AU - Welch, Alan J.
PY - 1978
Y1 - 1978
N2 - Crystals of the title compound are monoclinic, space group P21/n with unit-cell dimensions a = 9.375(4), b = 15.985(3), c = 16.033(7) Å, and β = 93.56(5)°. The structure has been solved using 6 068 observed reflections recorded at ca. 215 K on a four-circle diffractometer, and refined by least squares to R 0.047. The geometry of the cage is that of a highly distorted icosahedron in which the platinum atom 'slips' towards B (8) and the metal-bonded face 'folds' across B(4) ⋯ B(7). Molecular-orbital calculations based on the extended-Hückel approximation have accounted for the 'slip' and 'fold' distortions observed in this and related Carbametallaboranes.
AB - Crystals of the title compound are monoclinic, space group P21/n with unit-cell dimensions a = 9.375(4), b = 15.985(3), c = 16.033(7) Å, and β = 93.56(5)°. The structure has been solved using 6 068 observed reflections recorded at ca. 215 K on a four-circle diffractometer, and refined by least squares to R 0.047. The geometry of the cage is that of a highly distorted icosahedron in which the platinum atom 'slips' towards B (8) and the metal-bonded face 'folds' across B(4) ⋯ B(7). Molecular-orbital calculations based on the extended-Hückel approximation have accounted for the 'slip' and 'fold' distortions observed in this and related Carbametallaboranes.
UR - http://www.scopus.com/inward/record.url?scp=37049109720&partnerID=8YFLogxK
U2 - 10.1039/DT9780001363
DO - 10.1039/DT9780001363
M3 - Article
AN - SCOPUS:37049109720
SN - 1472-7773
SP - 1363
EP - 1374
JO - Journal of the Chemical Society, Dalton Transactions
JF - Journal of the Chemical Society, Dalton Transactions
IS - 10
ER -