cMOF Evidence Base
Diffraction Structure — From 2D to 3D: Postsynthetic Pillar Insertion in Electrically Conductive MOF

Measurement evidence

Diffraction Structure

From 2D to 3D: Postsynthetic Pillar Insertion in Electrically Conductive MOF · Choi J.Y., Flood J., Stodolka M. et al. · ACS Nano · 2022 · 3145-3151

2 measurement groups · 9 results

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

Laboratory PXRD stoichiometry series

X-ray diffraction and scattering

Cu-THQ-BPY, Cu2+:BPY feed ratio 1:1 · Powder

BPY insertion products with Cu2+:BPY feed ratios of 2:1, 1:1 and 1:2, lambda = 1.54 Angstrom in the discussion of the diagnostic d101 peak.

Geometry
Powder samples
Context
Pillared Cu-THQ-BPY feed-ratio series.
Measurement source
main p.3 · Results and Discussion · Figure S6
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD evidence of successful insertion across BPY feed-ratio seriesPXRD patterns match simulated product throughout 2:1, 1:1 and 1:2 feed-ratio samples——Text
Qualitative		main p.3 · Results and Discussion · Figure S6
PYZ insertion attempt structure resultCu-THQ-PYZ showed no change from parent PXRD pattern and no NMR sign of PYZ——Text
Qualitative		main p.4 · Results and Discussion · Figure S14

Synchrotron powder X-ray diffraction and Pawley refinement

X-ray diffraction and scattering

Cu-THQ-BPY, Cu2+:BPY feed ratio 2:1 · Powder

PXRD collected at beamline 17-BM, Advanced Photon Source, lambda = 0.45237 Angstrom; compared with parent Cu-THQ and simulated Cu-THQ-BPY.

Geometry
Powder sample
Context
Pillared Cu-THQ-BPY compared with pristine Cu-THQ.
Measurement source
main pp.2-3 · Results and Discussion · Figure 1c; Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Parent Cu-THQ d100 spacingd100 = 11.38 Angstrom——Text
Rounded Reported		main p.3 · Results and Discussion · Figure S4
Pawley refined a=b lattice parameterMarked as a best value within this papera = b = 13.1208 Angstrom——SI Table
Exact Reported		SI p.S5 · Pawley refinement · Table S1
Pawley refined c lattice parameterMarked as a best value within this paperc = 11.1183 Angstrom——SI Table
Exact Reported		SI p.S5 · Pawley refinement · Table S1
Pawley refinement RwRw = 6.193——SI Table
Exact Reported		SI p.S5 · Pawley refinement · Table S1
Diagnostic Cu-THQ-BPY synchrotron PXRD peak3.26 deg——Text
Rounded Reported		main p.3 · Results and Discussion · Figure 1c
Cu-THQ-BPY d101 spacingMarked as a best value within this paperd101 = 7.95 Angstrom——Text
Rounded Reported		main p.3 · Results and Discussion · Figure 1c
Simulated expanded interlayer distance d001d001 = 11.06 Angstrom——Text
Rounded Reported		main p.3 · Results and Discussion · Figure S4