Diffraction Structure — Superior Charge Transport in Ni-Diamine Conductive MOFs

6 measurement groups · 14 results

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

Pristine Cu3(HITT)2 black powder · Powder

Laboratory PXRD; hexagonal model refinement.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
lattice parameter a	a = b = 25.56 Å	—	—	Text Rounded Reported	20502 · Results and discussion · Figure 2
lattice parameter c	c = 3.27 Å	—	—	Text Rounded Reported	20502 · Results and discussion · Figure 2
space group	P-62m	—	—	Text Exact Reported	20502 · Results and discussion · Figure 2
layer stacking	2D sheets with fully eclipsed (AA) stacking	—	—	Text Qualitative	20502 · Results and discussion · Figure 2c

Pristine Ni3(HITT)2 black powder · Powder

Laboratory PXRD; hexagonal model refinement.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
lattice parameter a	a = b = 25.46 Å	—	—	Text Rounded Reported	20502 · Results and discussion · Figure 2
lattice parameter c	c = 3.27 Å	—	—	Text Rounded Reported	20502 · Results and discussion · Figure 2
space group	P-62m	—	—	Text Exact Reported	20502 · Results and discussion · Figure 2
layer stacking	2D sheets with fully eclipsed (AA) stacking	—	—	Text Qualitative	20502 · Results and discussion · Figure 2c

Pristine Cu3(HITT)2 black powder · Powder

Cu3(HITT)2 synthesis optimisation using Cu salts and temperature.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
best crystalline phase with Cu(NO3)2Marked as a best value within this paper	0 °C	—	—	Caption Rounded Reported	21 · Figure captions · Figure S13
preferred precursor valenceMarked as a best value within this paper	Cu+ precursors such as CuCl and CuI improve crystallinity	—	—	Text Qualitative	20502 · Results and discussion · Figure S14

Pristine Ni3(HITT)2 black powder · Powder

Synthesis temperature optimisation of Ni3(HITT)2.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
best synthesis temperatureMarked as a best value within this paper	45 °C	—	—	Caption Rounded Reported	20 · Figure captions · Figure S12
lower-temperature outcome	lower temperature does not form solid products	—	—	Text Qualitative	20502 · Results and discussion · Figure S12

Pristine Cu3(HITT)2 black powder · Powder

PANalytical X'Pert Pro with Cu target; samples on alumina plate under helium flow.

Atmosphere: helium
Measurement source: 2 · Variable Temperature Powder X-ray Diffraction · Figure S20

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
crystallinity decrease onset	starting even at 90 °C	—	—	Text Rounded Reported	20502 · Results and discussion · Figure S20

Pristine Ni3(HITT)2 black powder · Powder

PANalytical X'Pert Pro with Cu target; samples on alumina plate under helium flow.

Atmosphere: helium
Measurement source: 2 · Variable Temperature Powder X-ray Diffraction · Figure S19

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
crystallinity retained until	at least 150 °C	—	—	Text Rounded Reported	20502 · Results and discussion · Figure S19