Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 2 (February 2002)

Acta Cryst. (2002). C58, m129-m132 [doi:10.1107/S0108270101019679]

Isomorphism and phase transition in triferrocenylboroxine and triferrocenylborazine

J. W. Bats, K. Ma and M. Wagner

Abstract: The crystal structures of triferrocenylboroxine, [Fe₃(C₅H₅)₃(C₁₅H₁₂B₃O₃)], (I), and triferrocenylborazine, [Fe₃(C₅H₅)₃(C₁₅H₁₅B₃N₃)], (II), are isomorphous. At room temperature, the space group is Cmc2₁ and the molecules have crystallographic m symmetry. A reversible phase transition occurs at 283 (2) K for (I) and at 263 (5) K for (II). In the low-temperature phase, the space group of both compounds is P2₁ and the molecules no longer have internal symmetry. Intermolecular C-H [bold pi] interactions are enhanced in the low-temperature phase.

Formula: [Fe₃(C₅H₅)₃(C₁₅H₁₂B₃O₃)] and [Fe₃(C₅H₅)₃(C₁₅H₁₅B₃N₃)]

Online 31 January 2002


	Structure factor file (CIF format) (225.8 kbytes) Contains datablock IRT

	Structure factor file (CIF format) (155.3 kbytes) Contains datablock IIRT

	Structure factor file (CIF format) (412.7 kbytes) Contains datablock ILT

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