Poly[[penta-aqua-bis-(μ3-hydrogen squarato)barium] monohydrate]

Area of Science:

• Crystal Engineering
• Coordination Chemistry
• Materials Science

Background:

• Barium compounds and squarate ligands are of interest for their diverse structural motifs.
• Hydrogen bonding plays a crucial role in supramolecular assembly.

Purpose of the Study:

• To elucidate the crystal structure of the barium hydrogen squarate complex.
• To investigate the coordination modes and hydrogen bonding interactions within the compound.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the crystal structure.
• Analysis of coordination geometry and intermolecular interactions (hydrogen bonds).

Main Results:

• The crystal structure features discrete double chains of barium ions bridged by hydrogen squarate ligands.
• A ladder-like structure is formed by additional bridging interactions of the squarate ligands.
• Barium ions exhibit a distorted tricapped trigonal-prismatic coordination geometry.
• A 3D supramolecular network is established via O-H⋯O hydrogen bonds between chains and solvent water molecules.

Conclusions:

• The study successfully determined the intricate crystal structure of the barium hydrogen squarate complex.
• The findings highlight the role of bridging hydrogen squarate ligands in forming complex chain and ladder architectures.
• The hydrogen bonding network contributes to the overall stability and three-dimensional structure of the material.