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

D. Michael P. Mingos; Michael I. Forsyth; Alan J. Welch

doi:10.1039/DT9780001363

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

D. Michael P. Mingos^*
, Michael I. Forsyth
, Alan J. Welch

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

170 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	1363-1374
Number of pages	12
Journal	Journal of the Chemical Society, Dalton Transactions
Issue number	10
DOIs	https://doi.org/10.1039/DT9780001363
Publication status	Published - 1978

ASJC Scopus subject areas

General Chemistry

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@article{a3bb741da0174962a4ef42bb1e412ef3,

title = "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",

abstract = "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) {\AA}, 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-H{\"u}ckel approximation have accounted for the 'slip' and 'fold' distortions observed in this and related Carbametallaboranes.",

author = "Mingos, \{D. Michael P.\} and Forsyth, \{Michael I.\} and Welch, \{Alan J.\}",

year = "1978",

doi = "10.1039/DT9780001363",

language = "English",

pages = "1363--1374",

journal = "Journal of the Chemical Society, Dalton Transactions",

issn = "1472-7773",

number = "10",

}

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. / Mingos, D. Michael P.; Forsyth, Michael I.; Welch, Alan J.
In: Journal of the Chemical Society, Dalton Transactions, No. 10, 1978, p. 1363-1374.

Research output: Contribution to journal › Article › peer-review

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 - https://www.scopus.com/pages/publications/37049109720

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 -

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

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