Decafluorocyclohex-1-ene at 4.2 K – crystal structure and theoretical analysis of weak interactions

Smrčok, Ľ.; Mach, P.; Le Bail, A.

doi:10.1107/S2052519213013365

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 1
Data reduction to |F_hkl| for the decafluorocyclohex-1-ene test case by the Le Bail method using FullProf software. The neutron powder pattern was rebuilt [λ = 1.909 Å, a = 11.915 (3), b = 7.247 (2), c = 9.663 (2) Å, β = 113.34 (1)°] from the intensities given in the original paper (Pawley, 1981

). The |F_hkl| extraction is made in the P2₁/n space group.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 69| Part 4| June 2013| Pages 395-404

doi:10.1107/S2052519213013365

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