Iminopyridonato Iridium Complexes: X-Ray Crystallography Data Files

Crystallographic Information Framework (CIF) files detail the X-ray structures of specific iridium complexes, including [(η⁵-Cp*)IrCl(2-{(2,6-iPr₂-C₆H₃)N=CH}-C₅H₃N-6-(O→))]ZnCl₂(MeOH). The 26.8 MB dataset, authored by Roman Jambor, was last updated on May 7, 2026, and is shared under a CC-BY-4.0 license.

Use Cases

• Validate computational chemistry models based on experimental crystal structure data.
• Analyze bond lengths and angles in organometallic complexes mentioned in the description.
• Study the structural effects of O-functionalization via C-X bond cleavage on iridium complexes.

Strengths

• Includes a ReadMe file with experimental details for structure measurement and compound preparation.
• Files are provided in the standardized CIF format for crystallographic data.
• Dataset is 26.8 MB, indicating it contains detailed structural information.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

Experimental X-ray crystallography measurements, as indicated in the description.

Freshness

Last updated 2026-05-07 10:35:36; freshness should be verified.