Diffraction Structure — Dimensionality Modulates Electrical Conductivity in Compositionally Constant One-, Two-, and Three-Dimensional Frameworks

3 measurement groups · 17 results

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

Ni-1D rods/bricks · Powder

APS 11-BM synchrotron PXRD at 100 K and 295 K; TOPAS Academic refinement.

Temperature: 100; 295
Geometry: Debye-Scherrer geometry
Context: pristine Ni-1D powder
Measurement source: SI p.4 · Structure determination of Ni-1D · Figure 3e, Figure S48

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni-1D interchain pi-pi stacking distance at 100 K	3.11 A	—	—	Text Rounded Reported	main p.8, article p.5590 · Electrical Conductivity · Figure 8d
Ni-1D interchain pi-pi stacking distance at 295 K	3.15 A	—	—	Text Rounded Reported	main p.8, article p.5590 · Electrical Conductivity · Figure 8d
Ni-1D Rietveld Rwp at 100 K	Rwp = 5.336%	—	—	Text Exact Reported	SI p.4 · Structure determination of Ni-1D · Figure 3e
Ni-1D space group	C2/m	—	—	Text Exact Reported	SI p.4 · Structure determination of Ni-1D · Figure S48

Fresh Ni-2D rods · Powder

Crystals dispersed in ethanol, cooled to 96 K, JEOL JEM-2100 at 200 kV; five datasets merged.

Temperature: 96
Atmosphere: cryo-transfer holder
Context: pristine Ni-2D powder
Measurement source: SI pp.3,19 · cRED data collection; Table S2 · Figures S5-S6, Table S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni-2D cRED resolution	0.718 A	—	—	SI Table Exact Reported	SI p.19 · Table S2 · Table S2
Ni-2D interlayer spacing from Cryo-EM	6.22 A	—	—	Text Rounded Reported	main p.3, article p.5585 · Ni-Based Nonporous Frameworks · Figure 2f
Ni-2D TIBQ pi-pi stacking distance	3.34(5) A	—	(5)	Text Exact Reported	main p.3, article p.5585 · Ni-Based Nonporous Frameworks · Figure 2a,b
Ni-2D shortest interlayer Ni...Ni distance	7.52 A	—	—	Text Rounded Reported	main p.3, article p.5585 · Ni-Based Nonporous Frameworks · Figure 2b,c
Ni-2D space group	Immm	—	—	SI Table Exact Reported	SI p.19 · Table S2 · Table S2
Ni-2D unit-cell a	a = 12.442(3) A	—	(3)	SI Table Exact Reported	SI p.19 · Table S2 · Table S2
Ni-2D unit-cell b	b = 7.7419(15) A	—	(15)	SI Table Exact Reported	SI p.19 · Table S2 · Table S2
Ni-2D unit-cell c	c = 3.3457(7) A	—	(7)	SI Table Exact Reported	SI p.19 · Table S2 · Table S2

Ni-3D-ox from ambient workup · Powder

Four cRED datasets collected on individual crystals; hexagonal indexing; PLATON/SQUEEZE used for disordered guest contribution.

Temperature: 96
Atmosphere: cryo-transfer holder
Context: oxidised Ni-3D-ox framework
Measurement source: SI pp.3-4,19 · cRED data collection; Table S2 · Figures S21-S22, Table S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni-3D-ox pore diameter	about 4.2 A	—	—	Text Approximate	main p.4, article p.5586 · Three-Dimensional, Porous Ni-TIHQ Framework · Figure 5c, Figure S25
Ni-3D-ox cRED resolution	0.767 A	—	—	SI Table Exact Reported	SI p.19 · Table S2 · Table S2
Ni-3D-ox space group	R-3m	—	—	SI Table Exact Reported	SI p.19 · Table S2 · Table S2
Ni-3D-ox unit-cell a	a = 21.656(3) A	—	(3)	SI Table Exact Reported	SI p.19 · Table S2 · Table S2
Ni-3D-ox unit-cell c	c = 11.399(2) A	—	(2)	SI Table Exact Reported	SI p.19 · Table S2 · Table S2