Identifying and characterizing translationally modulated molecular crystal structures

Brock, C.P.; Taylor, R.

doi:10.1107/S2052520620007891

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

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Figure 1
Some examples of modulated structures. In this and all following drawings the a, b and c axes are colored red, green and blue, respectively, and the C atoms are colored by symmetry, i.e. a different color used in each symmetry independent molecule. In this and some of the following drawings the non-C atoms are colored by element type. (a) The [111]/6 pseudotranslation in KUTMAP02 ( $[P{\bar 1}]$ , Z′ = 6; López-Mejías & Matzger, 2015

). (b) The [001]/7 pseudotranslation in WEVWOK (P2₁2₁2₁, Z′ = 7; Görbitz et al., 2007

). (c) The [001]/4 pseudotranslation in NANBEL (P2₁, Z′ = 8; Fresno et al., 2011

); the two independent pseudotranslational columns in NANBEL are related by approximate screw axes with the basic cell having approximate P2₁2₁2₁ symmetry (β = 90.4°). (d) The [010]/2 pseudotranslation in CUNKUS01 ( $[P{\bar 1}]$ , Z′ = 6; Long & Li, 2009

), in which the three pairs of related molecules have very different orientations.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 76| Part 4| August 2020| Pages 630-642

https://doi.org/10.1107/S2052520620007891

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