Diffraction Structure — Framework Dimensional Control Boosting Charge Storage in Conjugated Coordination Polymers

2 measurement groups · 18 results

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

as-synthesised 1D-CuTABQ powder · Powder

Cu Kalpha radiation, room temperature; DFT-optimised structure refined against PXRD

Temperature: room temperature
Geometry: powder
Context: pristine
Measurement source: 2,9 · Materials and physical measurements; Table S2 · Table S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
cell parameter a	6.3792 A	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
cell angle alpha	59.5583 deg	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
cell parameter b	7.7279 A	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
cell angle beta	86.0485 deg	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
cell parameter c	7.6926 A	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
cell angle gamma	76.9951 deg	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
Rietveld Rp	1.77%	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
Rietveld Rwp	2.40%	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
space group	P1	—	—	SI Table Exact Reported	9 · Table S2 · Table S2

as-synthesised 2D-CuTABQ powder · Powder

Cu Kalpha radiation, room temperature; DFT-optimised structure refined against PXRD

Temperature: room temperature
Geometry: powder
Context: pristine
Measurement source: 2,9 · Materials and physical measurements; Table S2 · Table S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
cell parameter a	14.0976 A	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
cell angle alpha	90 deg	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
cell parameter b	14.0976 A	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
cell angle beta	90 deg	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
cell parameter c	8.970 A	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
cell angle gamma	120 deg	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
Rietveld Rp	2.06%	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
Rietveld Rwp	2.66%	—	—	SI Table Exact Reported	9 · Table S2 · Table S2
space group	P-31m	—	—	SI Table Exact Reported	9 · Table S2 · Table S2