cMOF Evidence Base
Diffraction Structure — Proton Conductive Metal-Organic Framework Encapsulating Emissive Hexacyanidochromate(III) Ions for Ratiometric and Lifetime-Based Detection of Humidity and Temperature

Measurement evidence

Diffraction Structure

Proton Conductive Metal-Organic Framework Encapsulating Emissive Hexacyanidochromate(III) Ions for Ratiometric and Lifetime-Based Detection of Humidity and Temperature · Niemiec M., Zakrzewski J.J., Reczynski M. et al. · Advanced Optical Materials · 2025 · 2403564

3 measurement groups · 16 results

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

P-XRD

X-ray diffraction and scattering

air-stable 1a bulk polycrystalline powder · Powder

Powder X-ray diffraction patterns of 1, 1a, 1deh, 2a, 3a and 4a compared with calculated patterns.

Atmosphere
1 protected by mother liquor; air-dried samples sealed in glass capillaries; 1deh packed under glovebox conditions
Context
pristine/control phase-purity context
Measurement source
S23-S24 · Figures S9-S10 · Figures S9-S10
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
phase purity by P-XRDexperimental P-XRD patterns closely match calculated SC-XRD patterns for obtained materials——Text
Qualitative		p.4 · 2.1 Structural Studies · Figures S9-S10

SC-XRD

X-ray diffraction and scattering

air-stable 1a bulk polycrystalline powder · Powder

Single-crystal X-ray diffraction on 1, 1a and 1deh; 100(2) K, Mo Kalpha, Bruker D8 Quest Eco.

Temperature
100(2)
Atmosphere
crystal from mother solution/air-dried/dehydrated handling as specified
Context
pristine Sr-Cr phases
Measurement source
S6 · Table S1 · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
compound 1 SC-XRD formulaSr2CrC60H42N17O20——Table
Exact Reported		CIF · Crystallography
compound 1 unit-cell volume1631.04(17) A3——SI Table
Exact Reported		S6 · Crystallography · Table S1/S2
compound 1a SC-XRD formulaSr2CrC56H42N17O23——Table
Exact Reported		CIF · Crystallography
unit-cell shrinkage from 1a to 1deh1.1%——Table
Exact Reported		p.4 · Crystallography
compound 1a unit-cell volume1608.69(14) A3——SI Table
Exact Reported		S6 · Crystallography · Table S1/S2
compound 1deh SC-XRD formulaSr2CrC56H42N17O14——Table
Exact Reported		CIF · Crystallography
1deh void volume244.2 A3, 15.3% of unit-cell volume——Table
Exact Reported		p.4 · Crystallography
compound 1deh unit-cell volume1591.5(4) A3——SI Table
Exact Reported		S6 · Crystallography · Table S1/S2
space group for all reported single-crystal structurestriclinic P-1——SI Table
Exact Reported		S6/S10 · Tables S1-S2 · Tables S1-S2

SC-XRD

X-ray diffraction and scattering

air-dried 3a bulk powder · Powder

Single-crystal X-ray diffraction on 2, 3 and 4; 100(2) K, Mo Kalpha.

Temperature
100(2)
Atmosphere
mother-solution single crystals protected with Apiezon grease
Context
comparison phases
Measurement source
S10 · Table S2 · Table S2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
compound 2 SC-XRD formulaSr2CoC60H42N17O20——Table
Exact Reported		CIF · Crystallography
compound 2 unit-cell volume1609.01(14) A3——SI Table
Exact Reported		S10 · Crystallography · Table S1/S2
compound 3 SC-XRD formulaBa2CrC37.5H38N13O20——Table
Exact Reported		CIF · Crystallography
compound 3 unit-cell volume1314.94(12) A3——SI Table
Exact Reported		S10 · Crystallography · Table S1/S2
compound 4 SC-XRD formulaBa2CoC38H38N13O19.5——Table
Exact Reported		CIF · Crystallography
compound 4 unit-cell volume1289.75(16) A3——SI Table
Exact Reported		S10 · Crystallography · Table S1/S2