Diffraction Structure — Tunable Charge Transport and Spin Dynamics in Two-Dimensional Conjugated Metal-Organic Frameworks

4 measurement groups · 20 results

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

Ni3(HATI_H)2 black powder · Powder

Room-temperature transmission PXRD; Pawley refinement in 2theta range 2.5-40 deg.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Scherrer average crystal sizeMarked as a best value within this paper	36 nm	—	—	Caption Rounded Reported	p018 · Supplementary Figures · Figure S7
interlayer distance	3.21 A	—	—	Text Rounded Reported	p003 · Structural Elucidation · Figure 2
Pawley Rp	Rp = 1.84%	—	—	Text Exact Reported	p003 · Structural Elucidation · Figure S8
Pawley Rwp	Rwp = 5.79%	—	—	Text Exact Reported	p003 · Structural Elucidation · Figure S8
stacking mode	AA-serrated stacking	—	—	Text Qualitative	p003 · Structural Elucidation · Figure 2d

Ni3(HATI_iPr)2 black powder · Powder

Room-temperature transmission PXRD; Pawley refinement in 2theta range 2.5-40 deg.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Scherrer average crystal size	32 nm	—	—	Caption Rounded Reported	p018 · Supplementary Figures · Figure S7
interlayer distanceMarked as a best value within this paper	around 4.70 A	—	—	Text Approximate	p003 · Structural Elucidation · Figure 2
Pawley Rp	Rp = 2.54%	—	—	Text Exact Reported	p004 · Structural Elucidation · Figure S8
Pawley Rwp	Rwp = 7.42%	—	—	Text Exact Reported	p004 · Structural Elucidation · Figure S8
stacking modeMarked as a best value within this paper	staggered stacking close to AB model	—	—	Text Qualitative	p003 · Structural Elucidation · Figure 2g

Ni3(HATI_nPr)2 black powder · Powder

Room-temperature transmission PXRD; Pawley refinement in 2theta range 2.5-40 deg.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Scherrer average crystal size	35 nm	—	—	Caption Rounded Reported	p018 · Supplementary Figures · Figure S7
interlayer distance	3.68 A	—	—	Text Rounded Reported	p003 · Structural Elucidation · Figure 2
Pawley Rp	Rp = 4.67%	—	—	Text Exact Reported	p003 · Structural Elucidation · Figure S8
Pawley Rwp	Rwp = 7.66%	—	—	Text Exact Reported	p003 · Structural Elucidation · Figure S8
stacking mode	AA-inclined stacking	—	—	Text Qualitative	p003 · Structural Elucidation · Figure 2f

Ni3(HATI_vPr)2 black powder · Powder

Room-temperature transmission PXRD; Pawley refinement in 2theta range 2.5-40 deg.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Scherrer average crystal size	33 nm	—	—	Caption Rounded Reported	p018 · Supplementary Figures · Figure S7
interlayer distance	3.58 A	—	—	Text Rounded Reported	p003 · Structural Elucidation · Figure 2
Pawley RpMarked as a best value within this paper	Rp = 1.17%	—	—	Text Exact Reported	p003 · Structural Elucidation · Figure S8
Pawley RwpMarked as a best value within this paper	Rwp = 1.91%	—	—	Text Exact Reported	p003 · Structural Elucidation · Figure S8
stacking mode	AA-inclined stacking	—	—	Text Qualitative	p003 · Structural Elucidation · Figure 2e