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Figure 2
Structures of MBE and MIE at selected low-temperature and high-pressure conditions. MBE at (a) 140 K/0.1 MPa and (b) 295 K/3.87 GPa, MIE at (c) 140 K/0.1 MPa and (d) 295 K/3.62 GPa. The intermolecular space accessible to a probe with a radius of 0.3 Å and grid spacing of 0.2 Å is indicated in yellow. The void volume is (a) 26.5% (100.30 Å3), (b) 5.7% (16.48 Å3), (c) 28.5% (120.40 Å3) and (d) 6.9% (23.02 Å3), respectively. The red dotted lines indicate the intermolecular X⋯X and X⋯H contacts shorter than the sums of the van der Waals radii of respective atoms (X = Br for MBE and X = I for MIE, see Fig. 3[link]). Displacement ellipsoids are plotted at the 25% probability level.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 78| Part 6| December 2022| Pages 868-875
https://doi.org/10.1107/S2052520622010149
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