cMOF Evidence Base
Diffraction Structure — Wavy Two-Dimensional Conjugated Metal-Organic Framework with Metallic Charge Transport

Measurement evidence

Diffraction Structure

Wavy Two-Dimensional Conjugated Metal-Organic Framework with Metallic Charge Transport · Zhang J., Zhou G., Un H.-I. et al. · Journal of the American Chemical Society · 2023 · 23630-23638

2 measurement groups · 16 results

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

continuous rotation electron diffraction (cRED)

Electron diffraction

Isolated Cu3(HFcHBC)2 single crystal device · Single Crystal

Single crystal dispersed in ethanol, transferred to holey carbon copper grid; JEOL JEM2100 at 200 kV; tilt rate 0.45 deg s-1 and exposure 0.5 s per frame.

Atmosphere
TEM low-dose conditions
Geometry
electron diffraction on rod single crystal
Context
pristine_framework
Measurement source
4 · Continuous rotation electron diffraction (cRED) data collection and analysis · Table S3; Figure S20
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
cRED a parametera = 27.719(1) A—(1)SI Table
Exact Reported		30 · Supplementary figures · Table S3
cRED c parameterc = 3.930(1) A—(1)SI Table
Exact Reported		30 · Supplementary figures · Table S3
cRED completeness80.3%0.803 fraction—SI Table
Exact Reported		30 · Supplementary figures · Table S3
cRED resolution1.80 A——SI Table
Exact Reported		30 · Supplementary figures · Table S3
cRED tilt range-50.24 deg to 62.97 deg——SI Table
Range		30 · Supplementary figures · Table S3

PXRD with Pawley fitting

X-ray diffraction and scattering

Cu3(HFcHBC)2 polycrystalline film · Thin Film

Collected film samples; Cu-Kalpha radiation; room temperature/reflection geometry.

Temperature
293(2)
Atmosphere
ambient
Context
pristine_framework
Measurement source
4 · Results and Discussion · Figure 2b; Table S4
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
formula weight1787.85——SI Table
Exact Reported		31 · Supplementary figures · Table S4
Pawley refined a parametera = b = 28.070(2) A—(2)SI Table
Exact Reported		31 · Supplementary figures · Table S4
Pawley refined c parameterc = 3.950(5) A—(5)SI Table
Exact Reported		31 · Supplementary figures · Table S4
Pawley cell volume2695.6(1) A3—(1)SI Table
Exact Reported		31 · Supplementary figures · Table S4
Pawley GOFGOF = 1.472——SI Table
Exact Reported		31 · Supplementary figures · Table S4
Pawley RpRp = 0.0572——SI Table
Exact Reported		31 · Supplementary figures · Table S4
Pawley RwpRwp = 0.0865——SI Table
Exact Reported		31 · Supplementary figures · Table S4
PXRD [100] peak2theta = 3.68 deg assigned to [100]——Text
Exact Reported		4 · Results and Discussion · Figure 2b
PXRD [110] peak2theta = 6.28 deg assigned to [110]——Text
Exact Reported		4 · Results and Discussion · Figure 2b
PXRD [200] peak2theta = 7.30 deg assigned to [200]——Text
Exact Reported		4 · Results and Discussion · Figure 2b
theoretical pore sizeapproximately 1.80 nm——Text
Approximate		4 · Results and Discussion · Figure S16