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C(60) 1,1,2,2-tetra-chloro-ethyl-ene tetra-solvate.

ABSTRACT: In the title complex, C(60)·4C(2)Cl(4), the C(60) mol-ecule is located on an inversion centre and there are two tetra-chloro-ethyl-ene (TCE) mol-ecules in the asymmetric unit. Both TCE mol-ecules show positional disorder, with occupancy ratios of 0.75:0.25 and 0.56:0.44. Four fullerene C atoms form short contacts [3.208?(17) and 3.223?(17)?Å] with the centres of the TCE double bonds, indicating that C(60)-solvent inter-actions are largely ?-? in nature.

SUBMITTER: Arunkumar C

PROVIDER: S-EPMC2915331 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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C(60) 1,1,2,2-tetra-chloro-ethyl-ene tetra-solvate.

Arunkumar C C Bhyrappa P P Varghese B B

Acta crystallographica. Section E, Structure reports online 20071218 Pt 1

In the title complex, C(60)·4C(2)Cl(4), the C(60) mol-ecule is located on an inversion centre and there are two tetra-chloro-ethyl-ene (TCE) mol-ecules in the asymmetric unit. Both TCE mol-ecules show positional disorder, with occupancy ratios of 0.75:0.25 and 0.56:0.44. Four fullerene C atoms form short contacts [3.208 (17) and 3.223 (17) Å] with the centres of the TCE double bonds, indicating that C(60)-solvent inter-actions are largely π-π in nature. ...[more]

PMID: 21200843

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