cMOF Evidence Base
Diffraction Structure — Metal–(organic cocrystal) framework with a photothermal effect boosting the photocatalytic degradation of pollutants

Measurement evidence

Diffraction Structure

Metal–(organic cocrystal) framework with a photothermal effect boosting the photocatalytic degradation of pollutants · Liu M., Liu K., Yan Z. et al. · Journal of Materials Chemistry A · 2026 · 4444-4452

2 measurement groups · 13 results

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

Powder X-ray diffraction (PXRD)

X-ray diffraction and scattering

Ac@[Ca-NDI] MOCF dark-green block single crystals · Single Crystal

PXRD compared Ac@[Ca-NDI] MOCF, Ca-NDI MOF and simulated patterns.

Geometry
Powder pattern; Rigaku Smart Lab 9 KW with Cu Kalpha per SI.
Context
Target compared with pristine Ca-NDI MOF.
Measurement source
main p.2, article p.4445 · Results and discussion · Fig. 1c
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Distance between ligand and acridine in Ac@[Ca-NDI] MOCF~3.3 A——Text
Approximate		main p.2, article p.4445 · Results and discussion · Fig. S4
Intermolecular distance between ligand molecules in Ca-NDI MOF~9.9 A——Text
Approximate		main p.2, article p.4445 · Results and discussion · Fig. S2
Pore structure retention in Ac@[Ca-NDI] MOCFMOCF maintained the pore structure of Ca-NDI MOF——Qualitative
Qualitative		main p.1, article p.4444 · Abstract

Single-crystal X-ray diffraction / CIF crystallographic refinement

X-ray diffraction and scattering

Ac@[Ca-NDI] MOCF dark-green block single crystals · Single Crystal

Cu Kalpha radiation, wavelength 1.54184 A; data collected at 100 K; CCDC 2457159.

Temperature
100
Atmosphere
N2 during diffraction in CIF
Geometry
Single dark-green block crystal, 0.1 x 0.1 x 0.1 mm3.
Context
Target Ac-confined MOCF crystal.
Measurement source
CIF text · crystallographic data items · CCDC 2457159
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Unit-cell a parameter24.8498(5)—(5)SI Table
Exact Reported		SI p.20 · Supplementary Tables · Table S1
Unit-cell b parameter10.3567(2)—(2)SI Table
Exact Reported		SI p.20 · Supplementary Tables · Table S1
Unit-cell beta angle90.339(2)—(2)SI Table
Exact Reported		SI p.20 · Supplementary Tables · Table S1
Unit-cell c parameter33.9783(6)—(6)SI Table
Exact Reported		SI p.20 · Supplementary Tables · Table S1
Unit-cell volume8744.6(3)—(3)SI Table
Exact Reported		SI p.20 · Supplementary Tables · Table S1
Calculated crystal density1.210——SI Table
Exact Reported		SI p.20 · Supplementary Tables · Table S1
Empirical formula of Ac@[Ca-NDI] MOCFC76H36Ca4N6O25——SI Table
Exact Reported		SI p.20 · Supplementary Tables · Table S1
Formula weight of Ac@[Ca-NDI] MOCF1593.43——SI Table
Exact Reported		SI p.20 · Supplementary Tables · Table S1
R factor for observed reflections0.0767——Text
Exact Reported		CIF text line 253 · refinement data · CIF
Space group of Ac@[Ca-NDI] MOCFIa——SI Table
Exact Reported		SI p.20 · Supplementary Tables · Table S1