Porosity — Effects of intervalence charge transfer interaction between π-stacked mixed valent tetrathiafulvalene ligands on the electrical conductivity of 3D metal-organic frameworks

4 measurement groups · 10 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

N2 sorption at 77 K and calculated solvent-accessible void analysis

Gas sorption and porosity

Cs-MOF 4 · Powder

BET surface area and pore volume for evacuated Na/K MOFs; Rb/Cs had no meaningful N2 adsorption; Mercury/PLATON-SQUEEZE void estimates from crystal structures.

Temperature: 77
Atmosphere: N2
Geometry: powder sorption; computational void calculation from crystal structure
Context: pristine framework sample state
Measurement source: S7 · Fig. S4/S5 · Fig. S4/S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
N2 adsorption isotherm	no meaningful N2 adsorption isotherm	—	—	Text Qualitative	13383 · Thermogravimetric analysis and porosity measurements · Fig. S4
calculated solvent-accessible void volume	43.1 Å^3; 2.0% unit-cell volume; probe radius 0.5 Å	—	—	Text Exact Reported	13383 · Thermogravimetric analysis and porosity measurements · Fig. S5

N2 sorption at 77 K and calculated solvent-accessible void analysis

Gas sorption and porosity

K-MOF 2 · Powder

BET surface area and pore volume for evacuated Na/K MOFs; Rb/Cs had no meaningful N2 adsorption; Mercury/PLATON-SQUEEZE void estimates from crystal structures.

Temperature: 77
Atmosphere: N2
Geometry: powder sorption; computational void calculation from crystal structure
Context: pristine framework sample state
Measurement source: S7 · Fig. S4/S5 · Fig. S4/S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
BET surface area	6.64 m^2 g^-1	—	—	Text Exact Reported	13383 · Thermogravimetric analysis and porosity measurements · Fig. S4
pore volume	0.00652 cm^3 g^-1	—	—	Text Exact Reported	13383 · Thermogravimetric analysis and porosity measurements · Fig. S4
calculated solvent-accessible void volume	29.24 Å^3; 1.4% unit-cell volume; probe radius 1.2 Å	—	—	Text Exact Reported	13383 · Thermogravimetric analysis and porosity measurements · Fig. S5

N2 sorption at 77 K and calculated solvent-accessible void analysis

Gas sorption and porosity

Na-MOF 1-ox · Powder

BET surface area and pore volume for evacuated Na/K MOFs; Rb/Cs had no meaningful N2 adsorption; Mercury/PLATON-SQUEEZE void estimates from crystal structures.

Temperature: 77
Atmosphere: N2
Geometry: powder sorption; computational void calculation from crystal structure
Context: pristine framework sample state
Measurement source: S7 · Fig. S4/S5 · Fig. S4/S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
BET surface area	3.56 m^2 g^-1	—	—	Text Exact Reported	13383 · Thermogravimetric analysis and porosity measurements · Fig. S4
pore volume	0.00503 cm^3 g^-1	—	—	Text Exact Reported	13383 · Thermogravimetric analysis and porosity measurements · Fig. S4
calculated solvent-accessible void volume	8.82 Å^3; 0.5% unit-cell volume; probe radius 0.4 Å	—	—	Text Exact Reported	13383 · Thermogravimetric analysis and porosity measurements · Fig. S5

N2 sorption at 77 K and calculated solvent-accessible void analysis

Gas sorption and porosity

Rb-MOF 3 · Powder

BET surface area and pore volume for evacuated Na/K MOFs; Rb/Cs had no meaningful N2 adsorption; Mercury/PLATON-SQUEEZE void estimates from crystal structures.

Temperature: 77
Atmosphere: N2
Geometry: powder sorption; computational void calculation from crystal structure
Context: pristine framework sample state
Measurement source: S7 · Fig. S4/S5 · Fig. S4/S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
N2 adsorption isotherm	no meaningful N2 adsorption isotherm	—	—	Text Qualitative	13383 · Thermogravimetric analysis and porosity measurements · Fig. S4
calculated solvent-accessible void volume	21.65 Å^3; 1.0% unit-cell volume; probe radius 0.4 Å	—	—	Text Exact Reported	13383 · Thermogravimetric analysis and porosity measurements · Fig. S5