cMOF Evidence Base
Diffraction Structure — Host-guest molecular interaction promoted urea electrosynthesis over a precisely designed conductive metal-organic framework

Measurement evidence

Diffraction Structure

Host-guest molecular interaction promoted urea electrosynthesis over a precisely designed conductive metal-organic framework · Yuan M., Chen J., Zhang H. et al. · Energy and Environmental Science · 2022 · 2084-2095

4 measurement groups · 18 results

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

Single-crystal X-ray diffraction crystallographic data table

X-ray diffraction and scattering

Co-PMDA-2-mbIM powder · Powder

Measurement source
p060 · Table S1 · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Unit-cell alpha angle93.062 degrees——Table
Exact Reported		p060 · Table S1 · Table S1
Unit-cell beta angle104.142 degrees——Table
Exact Reported		p060 · Table S1 · Table S1
Calculated crystal density1.596 g cm-3——Table
Exact Reported		p060 · Table S1 · Table S1
Formula weight647.45——Table
Exact Reported		p060 · Table S1 · Table S1
Unit-cell gamma angle107.964 degrees——Table
Exact Reported		p060 · Table S1 · Table S1
Independent reflections2602——Table
Exact Reported		p060 · Table S1 · Table S1
Reflections collected10858——Table
Exact Reported		p060 · Table S1 · Table S1

Powder X-ray diffraction

X-ray diffraction and scattering

Co-PMDA-2-mbIM powder · Powder

X'PERT PRO MPD, Cu Kalpha radiation, lambda 0.15418 nm, 2-90 deg scan range; compared with simulated patterns for Co-PMDA and Co-PMDA-2-mbIM.

Geometry
powder XRD
Context
target and pristine control comparison
Measurement source
p002 · Characterization · Fig. 2d-e
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD phase agreementPXRD peaks of Co-PMDA and Co-PMDA-2-mbIM accord well with simulated results, indicating phase purity——Text
Qualitative		p003 (journal p2086) · Results and discussion · Fig. 2d-e

Single-crystal X-ray diffraction; CIF refinement

X-ray diffraction and scattering

Co-PMDA-2-mbIM powder · Powder

Mo Kalpha radiation, wavelength 0.71073 A; measurement temperature 291 K.

Temperature
291
Geometry
single-crystal diffraction
Context
target guest-loaded framework
Measurement source
CIF text · crystal data
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Unit-cell a7.0903(8) A—(8)Text
Exact Reported		CIF text · unit cell
Unit-cell b9.6953(11) A—(11)Text
Exact Reported		CIF text · unit cell
Unit-cell c10.7313(12) A—(12)Text
Exact Reported		CIF text · unit cell
CIF formula sumC26 H28 Co N4 O12——Text
Exact Reported		CIF text · chemical formula
Space grouptriclinic P -1——Text
Exact Reported		CIF text · space group
Unit-cell volume673.80(13) A3—(13)Text
Exact Reported		CIF text · unit cell
Refinement R factor for I > 2sigma(I)0.0249——Text
Exact Reported		CIF text · refinement

Single-crystal XRD structural analysis

X-ray diffraction and scattering

Co-PMDA-2-mbIM powder · Powder

Layer, interlayer and bridge distances interpreted from the crystal structure.

Context
target guest-loaded framework
Measurement source
p002 (journal p2085) · Results and discussion · Fig. 1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Interlayer spacing in Co-PMDA-2-mbIM9.695 A——Text
Rounded Reported		p002 (journal p2085) · Results and discussion · Fig. 1c
Nearest layer spacing along (01-1)7.091 A——Text
Rounded Reported		p002 (journal p2085) · Results and discussion · Fig. 1d
Minimum structural unit distance on (001)10.731 A——Text
Rounded Reported		p002 (journal p2085) · Results and discussion · Fig. 1c