Diffraction Structure — Iron-Based 2D Conductive Metal-Organic Framework Nanostructure with Enhanced Pseudocapacitance

3 measurement groups · 13 results

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

Fe-HHTP powder · Powder

Cu-sealed tube, lambda = 1.5418 A, 40 kV, 40 mA; structure simulated in Materials Studio Forcite and refined using GSAS-II.

Geometry: polyimide capillary
Context: pristine Fe-HHTP powder
Measurement source: SI p.S2 · Materials and Instrumentations · Figure 2a; Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit cell a	a = 21.80390 A	—	—	SI Table Exact Reported	SI p.S7 · Structural Characterizations · Table S1
unit cell b	b = 21.80390 A	—	—	SI Table Exact Reported	SI p.S7 · Structural Characterizations · Table S1
unit cell c	c = 25.55484 A	—	—	SI Table Exact Reported	SI p.S7 · Structural Characterizations · Table S1
Pawley refinement Rw	Rw = 4.965	—	—	SI Table Exact Reported	SI p.S7 · Structural Characterizations · Table S1
space group	P-3c1	—	—	SI Table Exact Reported	SI p.S7 · Structural Characterizations · Table S1

Fe-HHTP powder · Powder

Assignment of pore diameter, interlayer spacings and DMF-coordinated layer motifs from PXRD and simulated structure.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
interlayer spacing from 6.85 deg diffraction	12.9 A	1.29 nm	—	Text Rounded Reported	main p.2 · Results and Discussion · Figure 2c
interlayer spacing from 24.12 deg diffraction	3.7 A	0.37 nm	—	Text Rounded Reported	main p.2 · Results and Discussion · Figure 2c
interlayer spacing from 16.19 deg diffraction	5.5 A	0.55 nm	—	Text Rounded Reported	main p.2 · Results and Discussion · Figure 2c
hexagonal pore diameter from diffraction	19.2 A	1.92 nm	—	Text Rounded Reported	main p.2 · Results and Discussion · Figure 2c
type-1 structure pore distance	~10 A	1 nm	—	Text Approximate	main p.4 · Results and Discussion · Figure S9b
distance between discrete units	5.9 A	0.59 nm	—	Text Rounded Reported	main p.4 · Results and Discussion · Figure S9c
distance between discrete units	6.6 A	0.66 nm	—	Text Rounded Reported	main p.4 · Results and Discussion · Figure S9c

Fe-HHTP composite working electrode · Electrode

Electrode material scraped after electrochemical measurements, dispersed in acetone, retrieved by centrifugation and measured by PXRD.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
post-CV PXRD stability	XRD before and after electrochemical tests confirms stability	—	—	Text Qualitative	main p.5 · Results and Discussion · Figure S16