cMOF Evidence Base
Diffraction Structure — Bimetallic synergy significantly enhances the photocatalytic performance of lanthanide porphyrin-based MOFs: Efficient photocatalytic oxidation of benzyl alcohol and benzylamine under mild conditions in air

Measurement evidence

Diffraction Structure

Bimetallic synergy significantly enhances the photocatalytic performance of lanthanide porphyrin-based MOFs: Efficient photocatalytic oxidation of benzyl alcohol and benzylamine under mild conditions in air · Qi Y., Cai Z., Zheng C. et al. · Journal of Catalysis · 2024 · 115226

3 measurement groups · 22 results

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

Single-crystal X-ray diffraction

X-ray diffraction and scattering

Ni-Nd PMOFs · Powder

Xtalab Proll single-crystal diffractometer with Cu Kalpha radiation; Table S1 crystal data.

Temperature
296
Geometry
single crystal 0.120 x 0.100 x 0.080 mm3
Context
target mixed-metal PMOF
Measurement source
3 · Table S1 · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Unit cell a parametera = 21.514(3) A—(3)SI Table
Exact Reported		3 · Table S1 · Table S1
Unit cell alpha anglealpha = 90 deg——SI Table
Exact Reported		3 · Table S1 · Table S1
Unit cell b parameterb = 26.536(3) A—(3)SI Table
Exact Reported		3 · Table S1 · Table S1
Unit cell beta anglebeta = 106.768(6) deg—(6)SI Table
Exact Reported		3 · Table S1 · Table S1
Unit cell c parameterc = 9.6954(12) A—(12)SI Table
Exact Reported		3 · Table S1 · Table S1
Crystal size0.120 x 0.100 x 0.080 mm3——SI Table
Exact Reported		3 · Table S1 · Table S1
Crystal systemMonoclinic——SI Table
Exact Reported		3 · Table S1 · Table S1
Calculated density1.283 g/cm3——SI Table
Exact Reported		3 · Table S1 · Table S1
F(000)2048——SI Table
Exact Reported		3 · Table S1 · Table S1
Ni-Nd PMOF empirical formulaC48H28N4NdNiO10——SI Table
Exact Reported		3 · Table S1 · Table S1
Formula weight1023.69——SI Table
Exact Reported		3 · Table S1 · Table S1
Unit cell gamma anglegamma = 90 deg——SI Table
Exact Reported		3 · Table S1 · Table S1
Goodness-of-fit on F20.921——SI Table
Exact Reported		3 · Table S1 · Table S1
Absorption coefficient8.274 mm-1——SI Table
Exact Reported		3 · Table S1 · Table S1
Final R1 observedR1 = 0.0781 for I>=2sigma(I)——SI Table
Exact Reported		3 · Table S1 · Table S1
R(int)0.0979——SI Table
Exact Reported		3 · Table S1 · Table S1
Ni-Nd PMOF space groupC2/c——SI Table
Exact Reported		3 · Table S1 · Table S1
Unit cell volume5299.8 A3——SI Table
Exact Reported		3 · Table S1 · Table S1
Final wR2 observedwR2 = 0.2218 for I>=2sigma(I)——SI Table
Exact Reported		3 · Table S1 · Table S1
Z4——SI Table
Exact Reported		3 · Table S1 · Table S1

Powder X-ray diffraction

X-ray diffraction and scattering

All reported TCPP/PMOF samples · Unknown

Powder XRD comparison of Ni-Nd PMOFs and Co-Nd PMOFs.

Context
mixed-metal PMOFs compared with monometallic Nd PMOFs
Measurement source
4 · 3.1 Material characterization · Fig. 2a-c
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Ni-Nd and Co-Nd PMOF main XRD peak positions2theta = 5.7, 7.3, 8.8, 12.2, 13.8, 19.4 deg——Text
Rounded Reported		4 · 3.1 Material characterization · Fig. 2b,c

Powder X-ray diffraction

X-ray diffraction and scattering

Nd PMOFs · Powder

PANalytical XRD, Cu Kalpha radiation, 40 kV, 300 mA, 2theta = 5-50 deg.

Context
pristine monometallic PMOF control
Measurement source
2 · Characterization procedures
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Nd PMOF main XRD peak positions2theta = 5.7, 7.2, 8.5, 11.1, 11.4, 13.1, 18.1 deg——Text
Rounded Reported		4 · 3.1 Material characterization · Fig. 2a