cMOF Evidence Base
Diffraction Structure — Tunable Electrical Conductivity of Flexible Metal-Organic Frameworks

Measurement evidence

Diffraction Structure

Tunable Electrical Conductivity of Flexible Metal-Organic Frameworks · Chong S., Rogge S.M.J., Kim J. · Chemistry of Materials · 2022 · 254-265

1 measurement group · 12 results

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

DFT-optimised lattice-parameter extraction

Density functional theory

Zn(NDIDP) computational model · Model

Optimised model configurations for M(NDIDP) in exp/lp/int/np/sq states.

Atmosphere
in silico
Context
model_system
Measurement source
S20 · Lattice parameters of M(NDIDP) · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Co(NDIDP) int1 unit-cell volumeV = 3132.2 A3——SI Table
Exact Reported		S20 · Lattice parameters of M(NDIDP) · Table S1
Co(NDIDP) int2 unit-cell volumeV = 2464.9 A3——SI Table
Exact Reported		S20 · Lattice parameters of M(NDIDP) · Table S1
Co(NDIDP) lp unit-cell volumeV = 3688.9 A3——SI Table
Exact Reported		S20 · Lattice parameters of M(NDIDP) · Table S1
Co(NDIDP) np unit-cell volumeV = 1875.2 A3——SI Table
Exact Reported		S20 · Lattice parameters of M(NDIDP) · Table S1
Co(NDIDP) sq unit-cell volumeV = 1604.7 A3——SI Table
Exact Reported		S20 · Lattice parameters of M(NDIDP) · Table S1
Fe(NDIDP) lp comparison volumeV = 3667.4 A3——SI Table
Exact Reported		257 · Flexibility of M(NDIDP): Energy vs Volume Profile · Figure 2/Table S1
Fe(NDIDP) np unit-cell volumeV = 1908.3 A3——SI Table
Exact Reported		S20 · Lattice parameters of M(NDIDP) · Table S1
Fe(NDIDP) sq unit-cell volumeV = 1633.8 A3——SI Table
Exact Reported		S20 · Lattice parameters of M(NDIDP) · Table S1
Zn(NDIDP) exp unit-cell volumeV = 4499.6 A3——SI Table
Exact Reported		S20 · Lattice parameters of M(NDIDP) · Table S1
Zn(NDIDP) lp unit-cell volumeV = 3735.4 A3——SI Table
Exact Reported		S20 · Lattice parameters of M(NDIDP) · Table S1
Zn(NDIDP) np unit-cell volumeV = 1867.6 A3——SI Table
Exact Reported		S20 · Lattice parameters of M(NDIDP) · Table S1
Zn(NDIDP) sq unit-cell volumeV = 1628.7 A3——SI Table
Exact Reported		S20 · Lattice parameters of M(NDIDP) · Table S1