cMOF Evidence Base
Diffraction Structure — An Electrically Conducting Li-Ion Metal-Organic Framework

Measurement evidence

Diffraction Structure

An Electrically Conducting Li-Ion Metal-Organic Framework · Rambabu D., Lakraychi A.E., Wang J. et al. · Journal of the American Chemical Society · 2021 · 11641-11650

2 measurement groups · 5 results

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

powder X-ray diffraction (PXRD), Cu Kalpha radiation

X-ray diffraction and scattering

Li2-Mn-DOBDC powder · Powder

Patterns collected in 2theta range 2-50 deg; compared across H2-M-DOBDC.DMF2, H2-M-DOBDC, Li2-M-DOBDC and regenerated phases.

Geometry
powder
Context
pristine powders and postsynthetic derivatives
Measurement source
16-17 · Supplementary Figures and Data · Figure S3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
H2-Mn-DOBDC desolvated low-angle PXRD peaks2theta = 9.1 deg and 10.2 deg——Text
Rounded Reported		17 · Figure S3 discussion · Figure S3
Li2-Mn-DOBDC lithiated low-angle PXRD peaks2theta = 11.3 deg and 12.8 deg——Text
Rounded Reported		17 · Figure S3 discussion · Figure S3

single-crystal X-ray diffraction; Mo-Kalpha radiation; SHELXT/SHELXL2014/7 refinement

X-ray diffraction and scattering

H2-Mn-DOBDC.DMF2 single crystals · Single Crystal

Crystal flash cooled to 150 K in N2 gas stream; MAR345 detector; CCDC 2076273.

Temperature
150.15
Atmosphere
N2 gas stream
Geometry
single crystal
Context
pristine solvated framework
Measurement source
6,13 · 1.3 Instrumentation · Table S2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
final R1 index for I >= 2 sigma(I)R1 = 0.0410——SI Table
Exact Reported		13 · Table S2 · Table S2
space groupI2/a——SI Table
Exact Reported		13 · Table S2 · Table S2
unit cell volume1715.3(4)—(4)SI Table
Exact Reported		13 · Table S2 · Table S2