Diffraction Structure — Uninterrupted π-d Conjugated Three-Dimensional Conductive Metal-Organic Framework

Measurement evidence

Diffraction Structure

Uninterrupted π-d Conjugated Three-Dimensional Conductive Metal-Organic Framework · Jeong H., Park G., Yi J. et al. · ACS Materials Letters · 2025 · 2056-2062

1 measurement group · 10 results

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

Powder X-ray diffraction with Le Bail refinement; synchrotron PXRD and Cu K-alpha PXRD.

X-ray diffraction and scattering

As-synthesised Ni3HBC greenish-black nanocrystalline powder · Powder

PAL 9B synchrotron PXRD for fitting; FullProf Suite 2007, pseudo-Voigt function; additional Rigaku MiniFlex Cu K-alpha scans over 3-50 deg 2theta.

Temperature: room temperature unless thermal series specified
Atmosphere: Powder samples; thermal series under vacuum in an air-tight holder.
Geometry: Powder pelletized as thin layer on zero-background silicon crystal plate for additional PXRD.
Context: pristine Ni3HBC framework
Measurement source: S3 · PXRD profile fitting with Le Bail method · Table S1; Figure S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Main-text unit cell a	a = 29.16 Angstrom	—	—	Text Rounded Reported	2058 · Structure analysis
Main-text unit cell c	c = 17.77 Angstrom	—	—	Text Rounded Reported	2058 · Structure analysis
PXRD phase purity	Crystallinity without impurities such as Ni metal, Ni oxide, or Ni hydroxide	—	—	Text Qualitative	2057 · Structure analysis · Figure 1c
Le Bail alphaMarked as a best value within this paper	alpha = 90.00000 deg	—	—	SI Table Exact Reported	S8 · Table S1 · Table S1
Le Bail gammaMarked as a best value within this paper	gamma = 120.00000 deg	—	—	SI Table Exact Reported	S8 · Table S1 · Table S1
SI Le Bail RpMarked as a best value within this paper	Rp = 1.89%	—	—	SI Table Exact Reported	S8 · Table S1 · Table S1
SI Le Bail RwpMarked as a best value within this paper	Rwp = 2.46%	—	—	SI Table Exact Reported	S8 · Table S1 · Table S1
SI Le Bail supercell aMarked as a best value within this paper	a = 29.16868 Angstrom	—	—	SI Table Exact Reported	S8 · Table S1 · Table S1
SI Le Bail supercell bMarked as a best value within this paper	b = 29.16868 Angstrom	—	—	SI Table Exact Reported	S8 · Table S1 · Table S1
SI Le Bail supercell cMarked as a best value within this paper	c = 35.67763 Angstrom	—	—	SI Table Exact Reported	S8 · Table S1 · Table S1