This PDF file includes:

• fig. S1. Structure of the three phases.
  
• fig. S2. Diffraction pattern and single-crystal images.
  
• fig. S3. Low-pressure gas sorption.
  
• fig. S4. Recyclability of shape-memory phase at 195 K CO₂.
  
• fig. S5. High-pressure CO₂ sorption.
  
• fig. S6. In situ variable temperature PXRD.
  
• fig. S7. Solvent-induced phase change.
  
• fig. S8. PXRD data for X-pcu-3-Zn-3i-γ obtained from different experiments.
  
• fig. S9. Phase change from γ to α phase.
  
• fig. S10. Variable temperature PXRD of shape-memory phase.
  
• fig. S11. Distortion of paddlewheel MBB and orientation of X-ligands in X-pcu-3-Zn-3i-α.
  
• fig. S12. Distortion of paddlewheel MBB and orientation of X ligands in X-pcu-3-Zn-3i-β.
  
• fig. S13. Distortion of paddlewheel MBB and orientation of X ligands in X-pcu-3-Zn-3i-γ.
  
• fig. S14. Thermogravimetric analysis (TGA) profiles.
  
• fig. S15. Comparison of modeling and experimental isotherm.
  
• fig. S16. Free-energy difference.
  
• fig. S17. Chemically distinct atoms in X-pcu-3-Zn-3i-α.
  
• fig. S18. The chemically distinct atoms in X-pcu-3-Zn-3i-β.
  fig. S19. The chemically distinct atoms in X-pcu-3-Zn-3i-γ.
  
• table S1. Examples of previously reported FMOMs with large hysteresis.
  
• table S2. Crystal data and refinement parameters.
  
• table S3. Numerical labeling of atoms corresponds to fig. S17.
  
• table S4. The crystallographic distances (in Å) between various atoms in X-pcu-3-Zn-3i-α.
  
• table S5. The partial charges (in e⁻) for the chemically distinct atoms in X-pcu-3-Zn-3i-β.
  
• table S6. The crystallographic distances (in Å) between various atoms in X-pcu-3-Zn-3i-β.
  
• table S7. Numerical labeling of atoms corresponds to fig. S18.
  
• table S8. Labels of atoms correspond to fig. S18.
  
• table S9. Calculated energies for three phases.
  
• References (41–62)

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