Ex-MC and I-Ex-MC: Reconfigurable Metal-Organic Nanocage Structures

A 1.5 MB dataset published by Dongpu Wu on March 18, 2026, containing structural data for reconfigurable Pd2L4 and Pd4L8 nanocages. The data, shared under a CC-BY-NC-4.0 license on figshare, documents the thermally triggered mechanical interlocking of these synthetic nanostructures. It includes thermodynamic parameters (ΔH = 36.6 kJ mol–1, ΔS = 105.5 J mol–1 K–1) for the reversible monomer-dimer interconversion.

Use Cases

• Modeling adaptive guest recognition based on the described induced-fit mechanism for sulfonate anions.
• Analyzing allosteric regulation in synthetic systems based on the cavity expansion/compression behavior upon ReO4– encapsulation.
• Studying stimuli-responsive molecular recognition based on the temperature- and acid/base-triggered monomer-dimer interconversion.
• Engineering intelligent nanomachinery based on the mechanical interlocking strategy described for the nanocages.

Strengths

• Includes specific thermodynamic parameters (ΔH = 36.6 kJ mol–1, ΔS = 105.5 J mol–1 K–1) for a key process.
• Describes a measurable, 380-fold selectivity for sulfonate anions achieved by the nanocage.
• Documents a fully reversible structural transformation triggered by multiple stimuli (temperature, acid/base).

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is small (1.5 MB), which may indicate limited scope or a single primary structure.

Provenance

Source

Dongpu Wu via figshare.

Collection Method

Likely contains crystallographic information files (CIF) from experimental synthesis and characterization.

Freshness

Last updated 2026-03-18 16:06:43; freshness should be verified.