Diffraction Structure — Imparting Functionality and Enhanced Surface Area to a 2D Electrically Conductive MOF via Macrocyclic Linker

3 measurement groups · 7 results

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

PXRD after pH soaking

X-ray diffraction and scattering

Pristine Cu-HHTC synthesised at 50 C for 8 h · Powder

Approximately 6 mg MOF stirred in about 10 mL aqueous pH 3, 5, 7, or 11 solution at room temperature for 1 h, recovered, washed with acetone and dried at 70 C.

Temperature: room temperature
Atmosphere: aqueous pH solutions
Geometry: Powder
Context: Pristine Cu-HHTC after pH exposure.
Measurement source: SI p.S13 · Stability of Cu-HHTC at different pH solutions · Figure S13

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
pH stability PXRD retention	PXRD patterns retained after pH 3, 5, 7, and 11 soaking	—	—	Figure Axis Qualitative	SI p.S13 · Stability of Cu-HHTC at different pH solutions · Figure S13

Experimental and simulated PXRD of pristine and metalated Cu-HHTC

X-ray diffraction and scattering

Co-metalated Cu-HHTC · Powder

Simulated and experimental PXRD compared before and after Ni or Co metalation.

Geometry: Powder
Context: Metalated Cu-HHTC compared with pristine Cu-HHTC.
Measurement source: main p.5, article p.10619 · Postsynthetic Metalation · Figure S23

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Metalation-associated PXRD intensity	pronounced intensity at ~7 degrees corresponding to d110 = 13.3 Angstrom	—	~	Text Approximate	main p.5, article p.10619 · Postsynthetic Metalation · Figure S23

Powder X-ray diffraction with Pawley refinement against simulated packing models

X-ray diffraction and scattering

Pristine Cu-HHTC synthesised at 50 C for 8 h · Powder

PXRD compared with AA eclipsed, AA slipped-parallel and AB staggered models; Cu Kalpha wavelength in SI table.

Geometry: Powder
Context: Pristine Cu-HHTC framework.
Measurement source: main p.3, article p.10617 · Structure Characterization · Figure 2b; Figure S11; Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
d100 spacing	d100 = 23 Angstrom from peak at 2theta = 3.85 degrees	—	—	Text Rounded Reported	main p.3, article p.10617 · Structure Characterization · Figure 2b
a=b lattice parameter	a = b = 26.08586 Angstrom (SI Table S1); main text rounds to 26.08 Angstrom	—	—	SI Table Exact Reported	SI p.S12 · Powder X-ray diffraction · Table S1
c lattice parameter	c = 3.18641 Angstrom (SI Table S1); main text rounds to 3.18 Angstrom	—	—	SI Table Exact Reported	SI p.S12 · Powder X-ray diffraction · Table S1
Pawley refinement Rw	Rw = 3.941	—	—	SI Table Exact Reported	SI p.S12 · Powder X-ray diffraction · Table S1
Space group	P6/mmm	—	—	Text Exact Reported	main p.3, article p.10617 · Structure Characterization · Table S1