cMOF Evidence Base
Diffraction Structure — Effects of Transition Metals on Metal-Octaaminophthalocyanine-Based 2D Metal-Organic Frameworks

Measurement evidence

Diffraction Structure

Effects of Transition Metals on Metal-Octaaminophthalocyanine-Based 2D Metal-Organic Frameworks · Chen G., Li Z., Huang Z. et al. · ACS Nano · 2023 · 9611-9621

2 measurement groups · 9 results

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

PXRD with Pawley/Rietveld refinement of Cu-CuOAPc; comparison to AA-eclipsed, AA-inclined, AB-staggered and AB-partially staggered models

X-ray diffraction and scattering

Cu-CuOAPc powder and cold-pressed pellet · Powder

Cu Kalpha, 298 K, 2theta 3.50-39.95 deg; representative structural assignment for isostructural family

Temperature
298
Atmosphere
air
Geometry
powder
Context
pristine framework powder
Measurement source
S12 · Additional figures and tables · Table S2; Figure S6
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Rwp refinement statistic, Cu-CuOAPc0.01109——SI Table
Exact Reported		S12 · Table S2 · Table S2
Unit-cell a parameter, Cu-CuOAPc18.330(8) A——SI Table
Exact Reported		S12 · Table S2 · Table S2
Unit-cell c parameter, Cu-CuOAPc3.20(27) A——SI Table
Exact Reported		S12 · Table S2 · Table S2

PXRD (001) peak position converted to stacking distance

X-ray diffraction and scattering

Cu-CuOAPc powder and cold-pressed pellet · Powder

Interlayer stacking distances for six isostructural MOFs

Temperature
298
Atmosphere
air
Geometry
powder
Context
pristine framework powders
Measurement source
S12 · Additional figures and tables · Table S3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
(001) stacking distance, Co-CuOAPc(001) peak 27.3 deg; stacking distance 3.27 A——SI Table
Rounded Reported		S12 · Table S3 · Table S3
(001) stacking distance, Cu-CoOAPc(001) peak 27.85 deg; stacking distance 3.21 A——SI Table
Rounded Reported		S12 · Table S3 · Table S3
(001) stacking distance, Cu-CuOAPc(001) peak 27.9 deg; stacking distance 3.2 A——SI Table
Rounded Reported		S12 · Table S3 · Table S3
(001) stacking distance, Cu-NiOAPc(001) peak 27.45 deg; stacking distance 3.25 A——SI Table
Rounded Reported		S12 · Table S3 · Table S3
(001) stacking distance, Ni-CuOAPc(001) peak 27.3 deg; stacking distance 3.27 A——SI Table
Rounded Reported		S12 · Table S3 · Table S3
(001) stacking distance, Ni-NiOAPc(001) peak 27.3 deg; stacking distance 3.27 A——SI Table
Rounded Reported		S12 · Table S3 · Table S3