Diffraction Structure — Pd uptake and H2S sensing by an amphoteric metal-organic framework with a soft core and rigid side arms

4 measurement groups · 10 results

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

BFMOF-1a desolvated/solvent-exchanged crystals · Single Crystal

Reflection mode at room temperature on Inel Equinox 1000 X-ray diffractometer with Cu-Kalpha1 radiation, 30 kV and 30 mA.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Electrical transport data reported	No electrical conductivity, mobility, thermopower, Seebeck coefficient, Hall, I-V or impedance transport measurements were reported.	—	—	Qualitative Qualitative	main all pages · Full article
1a-H2S crystallinity after H2S treatment	well-defined, sharp PXRD peaks; highly crystalline phase	—	—	Text Qualitative	main p.3, article p.14440 · H2S uptake · Figure 3

As-prepared BFMOF-1 single crystals · Single Crystal

Bruker APEX II CCD, 100 K, Mo Kalpha radiation; refined in P-1.

Temperature: 100
Context: pristine solvated framework
Measurement source: SI p.S15-S16 · Single Crystal X-ray Crystallography · Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
BFMOF-1 chemical formulaMarked as a best value within this paper	Pb6O2(C69H48O12S4)2(DMA)3(H2O)2	—	—	Text Exact Reported	main p.2, article p.14439 · Framework synthesis
BFMOF-1 unit cell volumeMarked as a best value within this paper	3746.8(8) A3	—	(8)	Table Exact Reported	SI p.S15 · Single Crystal X-ray Crystallography · Table S1

BFMOF-1-DMF single crystal · Single Crystal

Bruker AXS SMART APEX CCD, 100 K, Mo Kalpha radiation; refined in P-1.

Temperature: 100
Context: isoreticular DMF-solvated framework
Measurement source: SI p.S15-S16 · Single Crystal X-ray Crystallography · Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source

BFMOF-1a desolvated/solvent-exchanged crystals · Single Crystal

Bruker APEX II CCD, 100 K, Mo Kalpha radiation; refined in P-1.

Temperature: 100
Context: pristine desolvated framework
Measurement source: main p.2, article p.14439 · Transformation and structure · Figures 1-2; Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
BFMOF-1a chemical formulaMarked as a best value within this paper	Pb6O2(C69H48O12S4)2	—	—	Text Exact Reported	SI p.S7 · Transformation of BFMOF-1 into BFMOF-1a
BFMOF-1a Pb3-S3 contact	Pb3-S3 = 3.608 A	—	—	Caption Exact Reported	main p.2, article p.14439 · Figure caption · Figure 1
BFMOF-1a Pb2-S1 contact	Pb2-S1 = 3.646 A	—	—	Caption Exact Reported	main p.2, article p.14439 · Figure caption · Figure 1
BFMOF-1a space group	P-1	—	—	Table Exact Reported	main p.5, article p.14442 · Reference 16 · Table S1
BFMOF-1a unit cell volume	3306.5(19) A3	—	(19)	Table Exact Reported	SI p.S15 · Single Crystal X-ray Crystallography · Table S1
Unit cell shrinkage from BFMOF-1 to BFMOF-1a	12%	—	—	Text Rounded Reported	main p.3, article p.14440 · Transformation and structure