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A molecular substitutional disorder case study suitable for instruction: L2CrII(THF)/L2[(trimethylsilyl)methyl]CrIII (L is 2,5-bis{[(2,6-diisopropylphenyl)imino]methyl}pyrrol-1-ide)
Author: Salisbury, Brian A.; Young, John F.; Theopold, Klaus H.; Yap, Glenn P. A.
Abstract: A solution of CrII and CrIII complexes, bis(2,5-bis{[(2,6-diisopropylphenyl)imino]methyl}pyrrol-1-ido)(tetrahydrofuran)chromium(II)–bis(2,5-bis{[(2,6-diisopropylphenyl)imino]methyl}pyrrol-1-ido)[(trimethylsilyl)methyl]chromium(III) (0.88/0.12), [Cr(C30H38N3)2(C4H8O)]0.88[Cr(C30H38N3)2(C4H11Si)]0.12 or L2CrII(THF)/L2[(trimethylsilyl)methyl]CrIII (L = 2,5-bis{[(2,6-diisopropylphenyl)imino]methyl}pyrrol-1-ide and THF is tetrahydrofuran), in pentane crystallizes in the monoclinic space group P21/c. The structure obtained shows most of the atoms coincident but with THF disordered with the (trimethylsilyl)methyl ligand. Structures with this disorder, involving more than two or three atoms, seem to appear rarely in the literature; however, in this case, the data set is ideal for the crystallographic instruction of molecular substitution disorder.
Description: This article was originally published in Acta Crystallographica Section C: Structural Chemistry. The version of record is available at: https://doi.org/10.1107/S2053229622003825
Salisbury, Brian A., John F. Young, Klaus H. Theopold, and Glenn P. A. Yap. “A Molecular Substitutional Disorder Case Study Suitable for Instruction: L2CrII(THF)/L2[(Trimethylsilyl)Methyl]CrIII (L Is 2,5-Bis{[(2,6-Diisopropylphenyl)Imino]methyl}pyrrol-1-Ide).” Acta Crystallographica Section C Structural Chemistry 78, no. 5 (May 1, 2022): 295–98. https://doi.org/10.1107/S2053229622003825.
