cMOF Evidence Base
Diffraction Structure — A Highly Proton-Conductive 3D Ionic Cadmium-Organic Framework for Ammonia and Amines Impedance Sensing

Measurement evidence

Diffraction Structure

A Highly Proton-Conductive 3D Ionic Cadmium-Organic Framework for Ammonia and Amines Impedance Sensing · Liu R., Liu Y., Yu S. et al. · ACS Applied Materials and Interfaces · 2019 · 1713-1722

2 measurement groups · 26 results

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

PXRD stability tests

X-ray diffraction and scattering

MOF 1 water- and pH-treated stability samples · Powder

Samples soaked in water for 1 month, refluxed in water for 24 h, or soaked in pH 1-11 aqueous solutions for 24 h.

Atmosphere
water / aqueous acid or base
Context
pristine MOF 1
Measurement source
1715 · Section 3.2 · Figure 2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
pH stability rangepH 1-11 after 24 h——Text
Range		1715 · Section 3.2 · Figure 2b
water stability after immersionPXRD matched after soaking in H2O for 1 month——Text
Qualitative		1715 · Section 3.2 · Figure 2a
water stability after refluxPXRD matched after reflux in H2O for 1 day——Text
Qualitative		1715 · Section 3.2 · Figure 2a

Single-crystal X-ray diffraction, Bruker smart APEXII CCD, Mo Kalpha radiation

X-ray diffraction and scattering

MOF 1 as-synthesised colourless cubic crystals · Single Crystal

Data collected by omega-2theta scan at low temperature; SHELXL refinement; CCDC 1849575.

Temperature
100 K main text; 120 K in CIF
Context
pristine MOF 1
Measurement source
1714 · Section 2.3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
R1 [I>2sigma(I)]0.0442——SI Table
Exact Reported		S-2 · Table S1
Z8——SI Table
Exact Reported		S-2 · Table S1
Cd...Cd distance in dual-core SBU3.846 Angstrom——Text
Exact Reported		1714 · Section 3.1
Cd-N bond length2.247(4)——SI Table
Exact Reported		S-3 · Table S2
Cd-O bond length range2.279(4)-2.400(4)——SI Table
Range		S-3 · Table S2
cell length a16.3087(8)——SI Table
Exact Reported		S-2 · Table S1
cell length b16.3087(8)——SI Table
Exact Reported		S-2 · Table S1
cell length c6.4947(3)——SI Table
Exact Reported		S-2 · Table S1
cell volume1727.42(19)——SI Table
Exact Reported		S-2 · Table S1
CIF R factor all0.0501——Text
Exact Reported		CIF
CIF R factor gt0.0442——Text
Exact Reported		CIF
CIF space group H-MP 42/n m c——Text
Exact Reported		CIF
CIF ambient temperature120.0——Text
Exact Reported		CIF
crystal size0.30 x 0.26 x 0.24——SI Table
Exact Reported		S-2 · Table S1
crystal systemTetragonal——SI Table
Exact Reported		S-2 · Table S1
calculated density2.326——SI Table
Exact Reported		S-2 · Table S1
crystallographic formula sumC6 H3 Cd N2 Na O4——Text
Exact Reported		CIF
formula weight302.49——SI Table
Exact Reported		S-2 · Table S1
GOF on F^21.147——SI Table
Exact Reported		S-2 · Table S1
reflections collected/unique34262 / 1060 [R(int) = 0.0360]——SI Table
Exact Reported		S-2 · Table S1
space groupP42/nmc——SI Table
Exact Reported		S-2 · Table S1
framework dimensionality and channels3D structure with 1D channels——Text
Qualitative		1715 · Section 3.1 · Figure 1
wR2 [I>2sigma(I)]0.1104——SI Table
Exact Reported		S-2 · Table S1