A Cerium Yldiide Complex: XYZ Coordinates for Ce-C Double Bond Structure

Wei Su published a dataset on figshare in 2026 containing XYZ coordinate data for a novel cerium yldiide complex. The dataset describes the first known cerium complex with a Ce←←C double dative bond, featuring a short Ce–C bond length of 2.461(5) Å. The data supports findings from DFT calculations on the bond's nature and the complex's reactivity.

Use Cases

• Visualizing molecular geometry based on the provided XYZ coordinates
• Validating DFT calculations of bond character using the reported Ce–C bond length
• Studying the structure of rare Ce←←C double dative bonds for theoretical chemistry research
• Comparing the geometry of this cerium yldiide complex to other lanthanide complexes

Strengths

• Includes a specific, measured Ce–C bond length of 2.461(5) Å.
• Describes the first reported cerium yldiide double-bond complex, a novel finding.
• Data is associated with peer-reviewed research findings and DFT analysis.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is very small at 6.5 KB, indicating limited scope.

Provenance

Source

figshare

Collection Method

Likely generated from computational chemistry modeling and experimental synthesis.

Freshness

Last updated 2026-06-04 16:06:46; freshness should be verified.