cMOF Evidence Base
Diffraction Structure — Photocatalytic Hydrogen Peroxide Production through Functionalized Semiconductive Metal-Organic Frameworks

Measurement evidence

Diffraction Structure

Photocatalytic Hydrogen Peroxide Production through Functionalized Semiconductive Metal-Organic Frameworks · Choi J.Y., Check B., Fang X. et al. · Journal of the American Chemical Society · 2024

3 measurement groups · 15 results

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

Powder X-ray diffraction with Pawley refinement

X-ray diffraction and scattering

DPT-MOF powder · Powder

Cu source, wavelength 1.5418 Angstrom; compared to simulated structure.

Context
Parent framework powder.
Measurement source
SI p.S10 · Pawley refinement · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
DPT-MOF unit-cell a13.3303 A——SI Table
Exact Reported		SI p.S10 · Pawley refinement · Table S1
DPT-MOF unit-cell b22.3498 A——SI Table
Exact Reported		SI p.S10 · Pawley refinement · Table S1
DPT-MOF unit-cell c14.7908 A——SI Table
Exact Reported		SI p.S10 · Pawley refinement · Table S1
DPT-MOF hexagonal pore from PXRD peak10.8 A——Text
Rounded Reported		main p.2, article p.11320 · Synthesis and Characterization · Figure 1b
DPT-MOF interlayer distance from PXRD peak14.3 A——Text
Rounded Reported		main p.2, article p.11320 · Synthesis and Characterization · Figure 1b
DPT-MOF Pawley Rwp5.13%——SI Table
Exact Reported		SI p.S10 · Pawley refinement · Table S1

Powder X-ray diffraction with Pawley refinement

X-ray diffraction and scattering

EFB-MOF powder · Powder

Cu source, wavelength 1.5418 Angstrom; compared to simulated structure.

Context
EFB-clicked framework powder.
Measurement source
SI p.S10 · Pawley refinement · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Post-click stacking distance14.4 A——Text
Rounded Reported		main p.3, article p.11321 · Synthesis and Characterization · Figure 1b
EFB-MOF unit-cell a12.9879 A——SI Table
Exact Reported		SI p.S10 · Pawley refinement · Table S1
EFB-MOF unit-cell b22.8613 A——SI Table
Exact Reported		SI p.S10 · Pawley refinement · Table S1
EFB-MOF unit-cell c15.3958 A——SI Table
Exact Reported		SI p.S10 · Pawley refinement · Table S1
EFB-MOF Pawley Rwp5.25%——SI Table
Exact Reported		SI p.S10 · Pawley refinement · Table S1

Powder X-ray diffraction with Pawley refinement

X-ray diffraction and scattering

PA-MOF powder · Powder

Cu source, wavelength 1.5418 Angstrom; compared to simulated structure.

Context
PA-clicked framework powder.
Measurement source
SI p.S10 · Pawley refinement · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PA-MOF unit-cell a13.3175 A——SI Table
Exact Reported		SI p.S10 · Pawley refinement · Table S1
PA-MOF unit-cell b22.3504 A——SI Table
Exact Reported		SI p.S10 · Pawley refinement · Table S1
PA-MOF unit-cell c15.3903 A——SI Table
Exact Reported		SI p.S10 · Pawley refinement · Table S1
PA-MOF Pawley RwpMarked as a best value within this paper4.11%——SI Table
Exact Reported		SI p.S10 · Pawley refinement · Table S1