Diffraction Structure — Redox-Active Two-Dimensional Tetrathiafulvalene-Copper Metal-Organic Framework with Boosted Electrochemical Performances for Supercapatteries

Measurement evidence

Diffraction Structure

Redox-Active Two-Dimensional Tetrathiafulvalene-Copper Metal-Organic Framework with Boosted Electrochemical Performances for Supercapatteries · Zhang Z.-R., Ren Z.-H., Luo C.-Y. et al. · Inorganic Chemistry · 2023 · 4672-4679

2 measurement groups · 8 results

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

powder X-ray diffraction

Iodine-treated crystals of 1 (1-ox) · Single Crystal

PXRD comparison of simulated 1 and experimental 1, 1-ox' and 1-ox patterns.

Geometry
powder/crystal ensemble
Context
iodine-treated samples compared with pristine framework
Measurement source
p003 / 4674 · 2.2. Characterizations · Figure 2b
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
framework crystallinity after iodine treatmentPXRD peaks of 1-ox and 1-ox' become wider/weaker and shift slightly, but most peaks remain; framework maintains crystalline and structural integrity.Text
Qualitative
p003 / 4674 · 2.2. Characterizations · Figure 2b

single-crystal X-ray diffraction

Maroon single crystals of 1 · Single Crystal

Crystal data collected on Bruker APEX-II CCD at 120 K; SHELXS/SHELXL refinement.

Temperature
120
Geometry
single crystal
Context
pristine framework structure
Measurement source
p005 and p019 / SI · 1.2 X-ray Crystallographic Study · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
unit-cell a9.6255(5) A(5)SI Table
Exact Reported
p019 / SI · 3. Table · Table S1
unit-cell b9.6561(5) A(5)SI Table
Exact Reported
p019 / SI · 3. Table · Table S1
unit-cell c16.1533(8) A(8)SI Table
Exact Reported
p019 / SI · 3. Table · Table S1
central TTF C=C bond length1.347(5) A(5)Text
Exact Reported
p002 / 4673 · 2.1. Synthesis and Crystal Structures · Figure 1
R1 for observed reflectionsR1 [I>2sigma(I)] = 0.0394SI Table
Exact Reported
p019 / SI · 3. Table · Table S1
space groupP-1SI Table
Exact Reported
p019 / SI · 3. Table · Table S1
unit-cell volume1384.85(12) A^3(12)SI Table
Exact Reported
p019 / SI · 3. Table · Table S1