cMOF Evidence Base
Diffraction Structure — 2D Tetrathiafulvalene-Based Metal–Organic Framework Linked by Hydrogen Bonding for Boosting Long-Cycle Stability of Lithium-Ion Batteries

Measurement evidence

Diffraction Structure

2D Tetrathiafulvalene-Based Metal–Organic Framework Linked by Hydrogen Bonding for Boosting Long-Cycle Stability of Lithium-Ion Batteries · Wang C., Dong F.-F., Cai Z.-X. et al. · European Journal of Inorganic Chemistry · 2025 · e202500119

3 measurement groups · 26 results

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

Crystallographic bond-distance analysis

Red-black bulky crystals of m-TTFTB-Co-MOF · Single Crystal

S...S distances between closest neighbouring layers and hydrogen-bond geometry extracted from crystal structure.

Temperature
273.15
Context
pristine framework
Measurement source
SI p.14 · Tables S4-S5 · Tables S4 and S5
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Hydrogen-bond length from main text2.526 A——Text
Exact Reported		main p.3 · 2.2. Characterization · Figure 1a
Hydrogen-bond length from main text1.950 A——Text
Exact Reported		main p.3 · 2.2. Characterization · Figure 1a
O10-H10A...O12 H...A distance2.197 A——SI Table
Exact Reported		SI p.14 · Table S5 · Table S5
O11-H11A...O12 H...A distanceMarked as a best value within this paper1.941 A——SI Table
Exact Reported		SI p.14 · Table S5 · Table S5
Longest reported interlayer S...S distanceS4...S4 = 11.051 A——SI Table
Exact Reported		SI p.14 · Table S4 · Table S4
Shortest reported interlayer S...S distanceMarked as a best value within this paperS1...S1 = 4.983 A——SI Table
Exact Reported		SI p.14 · Table S4 · Table S4

Powder X-ray diffraction

X-ray diffraction and scattering

Activated m-TTFTB-Co-MOF sample · Powder

Bruker D8 Advance diffractometer, Cu radiation lambda = 1.54056 A, 5-60 deg scan range, 0.1 deg s^-1; comparison of as-prepared, activated and simulated PXRD.

Temperature
room temperature
Geometry
Powder sample.
Context
pristine framework after activation
Measurement source
main p.3 and p.6 · 2.2. Characterization; Instruments and Measurements · Figure S5
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD pattern after activationactivated at 200 C for 2 h remained basically unchanged compared with simulated/as-prepared patterns——Text
Qualitative		main p.3 · 2.2. Characterization · Figure S5

Single-crystal X-ray diffraction

X-ray diffraction and scattering

Red-black bulky crystals of m-TTFTB-Co-MOF · Single Crystal

Bruker APEX-II CCD diffractometer, graphite monochromatic MoKalpha radiation (lambda = 0.71073 A), room temperature; solved by ShelXT and refined on F2.

Temperature
273.15
Geometry
Single-crystal sample, crystal size 0.2 x 0.1 x 0.1 mm3.
Context
pristine framework
Measurement source
main p.7 · X-Ray Crystallographic Analysis · SI Table S2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Co1-O bond-distance range maximum2.222 A——Text
Range		main p.3 · 2.2. Characterization
Co1-O bond-distance range minimum2.013 A——Text
Range		main p.3 · 2.2. Characterization
Co2-O bond-distance range maximum2.203 A——Text
Range		main p.3 · 2.2. Characterization
Co2-O bond-distance range minimum2.033 A——Text
Range		main p.3 · 2.2. Characterization
Crystal systemtriclinic——SI Table
Exact Reported		SI p.3 · Table S2 · Table S2
Calculated density1.206——SI Table
Exact Reported		SI p.3 · Table S2 · Table S2
Final R1 index for I >= 2sigma(I)R1 = 0.0453——SI Table
Exact Reported		SI p.4 · Table S2 · Table S2
Empirical formulaC37H29N1O12S4Co2——SI Table
Exact Reported		SI p.3 · Table S2 · Table S2
Formula weight925.74——SI Table
Exact Reported		SI p.3 · Table S2 · Table S2
Space groupP-1——SI Table
Exact Reported		SI p.3 · Table S2 · Table S2
Unit-cell a10.891(18)—(18)SI Table
Exact Reported		SI p.3 · Table S2 · Table S2
Unit-cell alpha66.152(6)—(6)SI Table
Exact Reported		SI p.3 · Table S2 · Table S2
Unit-cell b14.978(2)—(2)SI Table
Exact Reported		SI p.3 · Table S2 · Table S2
Unit-cell beta86.099(7)—(7)SI Table
Exact Reported		SI p.3 · Table S2 · Table S2
Unit-cell c17.232(3)—(3)SI Table
Exact Reported		SI p.3 · Table S2 · Table S2
Unit-cell gamma82.507(7)—(7)SI Table
Exact Reported		SI p.3 · Table S2 · Table S2
Unit-cell volume2548.6(7)—(7)SI Table
Exact Reported		SI p.3 · Table S2 · Table S2
Synthesis yield calculated from Coabout 56.0%——Text
Approximate		main p.2 · 2.1. Synthesis
Z2——SI Table
Exact Reported		SI p.3 · Table S2 · Table S2