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

A dataset from 2026 containing structural data for reconfigurable Pd2L4 and Pd4L8 metal-organic nanocages. The data, authored by Dongpu Wu and shared on figshare, includes thermodynamic parameters (ΔH = 36.6 kJ mol–1, ΔS = 105.5 J mol–1 K–1) and details on guest encapsulation and allosteric response. The dataset is 3.2 MB in size and is provided in Crystallographic Information File (CIF) format.

Use Cases

• Modeling adaptive guest recognition based on the described induced-fit mechanism for sulfonate anions.
• Simulating allosteric regulation in synthetic systems based on the cavity expansion/compression behavior triggered by ReO4– encapsulation.
• Analyzing thermodynamic parameters for reversible monomer-dimer interconversion driven by temperature or acid/base stimuli.
• Designing stimuli-responsive molecular separation systems based on the described selective binding properties.

Strengths

• Includes specific thermodynamic parameters (ΔH = 36.6 kJ mol–1, ΔS = 105.5 J mol–1 K–1) for interconversion.
• Describes a 380-fold selectivity for sulfonate anions through an induced-fit mechanism.
• Data is provided in the standardized Crystallographic Information File (CIF) format.

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 synthesis and analysis, as described in the associated research.

Freshness

Last updated 2026-03-18 16:06:39; freshness should be verified.