Porosity

Calculated free void volume from van der Waals volumes and time-averaged 200 ps relaxation trajectory

MD model of [BMIM][NTf2] in HKUST-1 · Model

PACKMOL initial configurations for IL-loaded HKUST-1; free volume versus number of IL pairs per unit cell.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Free pore volume used for HKUST-1	66%	—	—	Text Rounded Reported	SI p011 · Supporting Information 10
Calculated free void volume at 19 IL per uc	~9% from Figure SI10	—	—	Figure Axis Approximate	SI p011 · Supporting Information 10 · Figure SI10
Calculated free void volume at 1 IL per uc	~38% from Figure SI10	—	—	Figure Axis Approximate	SI p011 · Supporting Information 10 · Figure SI10
Van der Waals volume of one IL pair	303 cubic angstroms	—	—	Text Rounded Reported	SI p011 · Supporting Information 10
Maximum loading from packing algorithm	19 pairs per unit cell	—	—	Text Rounded Reported	SI p011 · Supporting Information 10 · Figure SI10

Empty HKUST-1 SURMOF thin film on interdigitated gold electrodes · Thin Film

Unit-cell and pore-window dimensions of the HKUST-1 host used to rationalise confinement.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
HKUST-1 pore diameter	~1.3 nm	—	—	Caption Approximate	2115 · Figure caption · Figure 1
HKUST-1 pore-window diameter	0.9 nm	—	—	Caption Rounded Reported	2115 · Figure caption · Figure 1
HKUST-1 unit-cell edge length	2.6 nm	—	—	Caption Rounded Reported	2115 · Figure caption · Figure 1