Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-closo-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-closo-dodecaborane(10)], the former as its tetrahydrofuran disolvate

Dipendu Mandal; Wing Y. Man; Georgina M. Rosair; Alan J. Welch

doi:10.1107/S2053229615014539

Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-closo-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-closo-dodecaborane(10)], the former as its tetrahydrofuran disolvate

Dipendu Mandal, Wing Y. Man, Georgina M. Rosair, Alan J. Welch^*

^*Corresponding author for this work

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

9 Citations (Scopus)

Abstract

Both rac-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11] 2THF (Cp is cyclopentadienyl and THF is tetrahydrofuran) or [Co2(C<inf>5</inf>H5)<inf>2</inf>(C4H<inf>2</inf>2B20)] 2C4H<inf>8</inf>O, (1), and meso-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11] or [Co2(C<inf>5</inf>H5)<inf>2</inf>(C4H<inf>2</inf>2B20)], (2), were prepared by thermolysis of a rac/meso mixture of the precursor species [1-(1'-4'-Cp-4',1',6'-closo-CoC2B10H11)-4-Cp-4,1,6-closo-CoC2B10H11] and were separated, spectroscopically characterized and studied crystallographically. Cage C-atom identification was accomplished by both the vertex-to-centroid distance and boron-hydrogen distance methods, and, in both cases, the structure established crystallographically is fully consistent with the spectroscopic data. Both the rac-(1) and meso-(2) forms share the same overall conformation (Co - C - C' - Co' ca 136°) and show clear evidence of intramolecular steric crowding resulting in tilted cyclopentadienyl ligands.

Original language	English
Pages (from-to)	793-798
Number of pages	6
Journal	Acta Crystallographica Section C: Structural Chemistry
Volume	C71
Issue number	Part 9
DOIs	https://doi.org/10.1107/S2053229615014539
Publication status	Published - 1 Sept 2015

Keywords

bis(carborane)
boron-hydrogen distance (BHD) method
crystal structure
diastereoisomers
metallacarborane
vertex-to-centroid distance (VCD) method

ASJC Scopus subject areas

Inorganic Chemistry
Physical and Theoretical Chemistry
Materials Chemistry
Condensed Matter Physics

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Mandal, D., Man, W. Y., Rosair, G. M., & Welch, A. J. (2015). Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-closo-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-closo-dodecaborane(10)], the former as its tetrahydrofuran disolvate. Acta Crystallographica Section C: Structural Chemistry, C71(Part 9), 793-798. https://doi.org/10.1107/S2053229615014539

Mandal, Dipendu ; Man, Wing Y. ; Rosair, Georgina M. et al. / Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-closo-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-closo-dodecaborane(10)], the former as its tetrahydrofuran disolvate. In: Acta Crystallographica Section C: Structural Chemistry. 2015 ; Vol. C71, No. Part 9. pp. 793-798.

@article{bdda20c184174cabbd459760f1c057c0,

title = "Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-closo-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-closo-dodecaborane(10)], the former as its tetrahydrofuran disolvate",

abstract = "Both rac-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11] 2THF (Cp is cyclopentadienyl and THF is tetrahydrofuran) or [Co2(C5H5)2(C4H22B20)] 2C4H8O, (1), and meso-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11] or [Co2(C5H5)2(C4H22B20)], (2), were prepared by thermolysis of a rac/meso mixture of the precursor species [1-(1'-4'-Cp-4',1',6'-closo-CoC2B10H11)-4-Cp-4,1,6-closo-CoC2B10H11] and were separated, spectroscopically characterized and studied crystallographically. Cage C-atom identification was accomplished by both the vertex-to-centroid distance and boron-hydrogen distance methods, and, in both cases, the structure established crystallographically is fully consistent with the spectroscopic data. Both the rac-(1) and meso-(2) forms share the same overall conformation (Co - C - C' - Co' ca 136°) and show clear evidence of intramolecular steric crowding resulting in tilted cyclopentadienyl ligands.",

keywords = "bis(carborane), boron-hydrogen distance (BHD) method, crystal structure, diastereoisomers, metallacarborane, vertex-to-centroid distance (VCD) method",

author = "Dipendu Mandal and Man, {Wing Y.} and Rosair, {Georgina M.} and Welch, {Alan J.}",

year = "2015",

month = sep,

day = "1",

doi = "10.1107/S2053229615014539",

language = "English",

volume = "C71",

pages = "793--798",

journal = "Acta Crystallographica Section C: Structural Chemistry",

issn = "2053-2296",

publisher = "John Wiley and Sons Inc.",

number = "Part 9",

}

Mandal, D, Man, WY, Rosair, GM & Welch, AJ 2015, 'Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-closo-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-closo-dodecaborane(10)], the former as its tetrahydrofuran disolvate', Acta Crystallographica Section C: Structural Chemistry, vol. C71, no. Part 9, pp. 793-798. https://doi.org/10.1107/S2053229615014539

Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-closo-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-closo-dodecaborane(10)], the former as its tetrahydrofuran disolvate. / Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M. et al.
In: Acta Crystallographica Section C: Structural Chemistry, Vol. C71, No. Part 9, 01.09.2015, p. 793-798.

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

TY - JOUR

T1 - Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-closo-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-closo-dodecaborane(10)], the former as its tetrahydrofuran disolvate

AU - Mandal, Dipendu

AU - Man, Wing Y.

AU - Rosair, Georgina M.

AU - Welch, Alan J.

PY - 2015/9/1

Y1 - 2015/9/1

N2 - Both rac-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11] 2THF (Cp is cyclopentadienyl and THF is tetrahydrofuran) or [Co2(C5H5)2(C4H22B20)] 2C4H8O, (1), and meso-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11] or [Co2(C5H5)2(C4H22B20)], (2), were prepared by thermolysis of a rac/meso mixture of the precursor species [1-(1'-4'-Cp-4',1',6'-closo-CoC2B10H11)-4-Cp-4,1,6-closo-CoC2B10H11] and were separated, spectroscopically characterized and studied crystallographically. Cage C-atom identification was accomplished by both the vertex-to-centroid distance and boron-hydrogen distance methods, and, in both cases, the structure established crystallographically is fully consistent with the spectroscopic data. Both the rac-(1) and meso-(2) forms share the same overall conformation (Co - C - C' - Co' ca 136°) and show clear evidence of intramolecular steric crowding resulting in tilted cyclopentadienyl ligands.

AB - Both rac-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11] 2THF (Cp is cyclopentadienyl and THF is tetrahydrofuran) or [Co2(C5H5)2(C4H22B20)] 2C4H8O, (1), and meso-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11] or [Co2(C5H5)2(C4H22B20)], (2), were prepared by thermolysis of a rac/meso mixture of the precursor species [1-(1'-4'-Cp-4',1',6'-closo-CoC2B10H11)-4-Cp-4,1,6-closo-CoC2B10H11] and were separated, spectroscopically characterized and studied crystallographically. Cage C-atom identification was accomplished by both the vertex-to-centroid distance and boron-hydrogen distance methods, and, in both cases, the structure established crystallographically is fully consistent with the spectroscopic data. Both the rac-(1) and meso-(2) forms share the same overall conformation (Co - C - C' - Co' ca 136°) and show clear evidence of intramolecular steric crowding resulting in tilted cyclopentadienyl ligands.

KW - bis(carborane)

KW - boron-hydrogen distance (BHD) method

KW - crystal structure

KW - diastereoisomers

KW - metallacarborane

KW - vertex-to-centroid distance (VCD) method

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U2 - 10.1107/S2053229615014539

DO - 10.1107/S2053229615014539

M3 - Article

C2 - 26322612

AN - SCOPUS:84940643022

SN - 2053-2296

VL - C71

SP - 793

EP - 798

JO - Acta Crystallographica Section C: Structural Chemistry

JF - Acta Crystallographica Section C: Structural Chemistry

IS - Part 9

ER -

Mandal D, Man WY, Rosair GM, Welch AJ. Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-closo-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-closo-dodecaborane(10)], the former as its tetrahydrofuran disolvate. Acta Crystallographica Section C: Structural Chemistry. 2015 Sept 1;C71(Part 9):793-798. doi: 10.1107/S2053229615014539

Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-closo-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-closo-dodecaborane(10)], the former as its tetrahydrofuran disolvate

Abstract

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