Alkaline-Earth Beta-Diketonate Complexes: Crystallographic and Thermal Data

A series of alkaline-earth beta-diketonate complexes derived from 2-thenoyltrifluoroacetone and 2-methylimidazole. The dataset includes crystallographic information files (CIF) and analysis results for complexes of Mg2+, Ca2+, Sr2+, and Ba2+ ions, published by José Manuel Bravo-Arredondo on figshare in May 2026. It contains data on coordination geometry, bond lengths, and thermal decomposition behavior.

Use Cases

• Analyzing the relationship between ionic radius and coordination geometry based on reported M–O bond lengths and coordination numbers.
• Modeling thermal stability and decomposition pathways based on thermogravimetric analysis results described for each metal complex.
• Comparing crystallographic structures and lattice organization between seven-coordinate Ca and eight-coordinate Sr/Ba complexes.
• Studying spectroscopic signatures of metal-ligand bonding based on described infrared spectroscopy data for the series.

Strengths

• Includes single-crystal X-ray diffraction data for Ca, Sr, and Ba complexes, revealing specific coordination geometries.
• Reports concrete measurements such as average M–O bond lengths (e.g., Ca–O 2.38 Å; Ba–O 2.74 Å) and unit-cell volume trends.
• Contains thermogravimetric analysis showing metal-dependent decomposition steps between 180 and 300 °C.
• Provides infrared spectroscopy data confirming deprotonation and bidentate coordination across the series.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The Mg complex is described as microcrystalline material unsuitable for full structural resolution, indicating incomplete crystallographic data for one member of the series.

Provenance

Source

figshare

Collection Method

Data was generated from the synthesis and characterization (X-ray diffraction, IR spectroscopy, thermogravimetric analysis) of a series of metal-organic complexes.

Freshness

Last updated 2026-05-06 04:44:36; freshness should be verified.