The low-temperature structure of diethyl ether magnesium oxybromide

Area of Science:

• Inorganic Chemistry
• Crystallography
• Materials Science

Background:

• The crystal structure of diethyl ether magnesium oxybromide has been previously determined at room temperature.
• Understanding the precise crystal structure of inorganic compounds is crucial for predicting their properties and reactivity.

Purpose of the Study:

• To determine the crystal structure of hexa-μ(2)-bromido-μ(4)-oxido-tetra-kis-[(diethyl ether)magnesium] at low temperature (173 K).
• To compare the low-temperature structure with the previously reported room-temperature structure.
• To investigate the crystallographic symmetry and identify any twinning in the crystal.

Main Methods:

• Single-crystal X-ray diffraction at 173 K.
• Crystal structure determination and refinement.
• Analysis of crystallographic space groups and symmetry.

Main Results:

• The title compound, [Mg(4)Br(6)O(C(4)H(10)O)(4)], crystallizes in the tetragonal space group I4[combining inverted breve]2d at 173 K.
• The determined structure differs from the previously known room-temperature structure (space group P4[combining inverted breve]2(1)c).
• The crystal was identified as a merohedral twin with a fractional contribution of 0.462(1) for the minor component, exhibiting apparent Laue symmetry 4/mmm.

Conclusions:

• The low-temperature crystal structure of hexa-μ(2)-bromido-μ(4)-oxido-tetra-kis-[(diethyl ether)magnesium] is distinct from its room-temperature form.
• The presence of merohedral twinning influences the observed diffraction symmetry.
• Accurate structural determination at low temperatures is essential for understanding the solid-state behavior of magnesium compounds.