Photoresponsive MOF Crystallographic Data with Double-Linker Structure

Chenwei Lu published crystallographic data for two photoresponsive metal–organic frameworks (MOFs), Zn-BPTTC and Cu-BPTTC, in April 2026. The dataset includes structural information supporting a rare double-linker wall formation. It contains computational studies on electronic structure differences and experimental photocurrent measurements.

Use Cases

• Analyze the double-linker wall structure using CIF data to understand π–π interactions in MOFs.
• Correlate the benzophenyltrithiophenecarboxylate (BPTTC) linker design with photoluminescence and photocurrent density measurements around 250 μA cm–2.
• Compare the electronic structures of Zn-BPTTC and Cu-BPTTC MOFs using provided computational data.
• Validate synthetic methods for isostructural MOFs using the crystallographic data for Zn-BPTTC and Cu-BPTTC.

Strengths

• Includes validated single-crystal X-ray crystallography data from synchrotron sources.
• Provides data for two distinct MOFs (Zn-BPTTC and Cu-BPTTC) enabling comparative analysis.
• Contains experimental photocurrent density measurements around 250 μA cm–2.

Limitations

• Small dataset at 1.4 MB, likely containing only structural files and limited experimental data points.
• No explicit row or sample count provided, limiting assessment of statistical scope.
• Focus on two specific MOF compounds may limit generalizability to other material systems.

Provenance

Source

Chenwei Lu via figshare.

Collection Method

Data from synthesis, single-crystal X-ray crystallography, photocurrent measurements, and computational studies.

Freshness

Last updated in April 2026, indicating recent data.