Other — Iodine uptake and enhanced electrical conductivity in a porous coordination polymer based on cucurbit[6]uril

4 measurement groups · 13 results

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

Bulk colourless rod-shaped crystals of complex 1 · Powder

Composition check for hydrothermally synthesised complex 1.

Context: pristine host
Measurement source: main p.2-3; article pp.1394-1395 · Characterization; Synthesis

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Elemental analysis found C	Found: C, 30.08	—	—	Text Exact Reported	main p.3; article p.1395 · Synthesis
Elemental analysis found H	Found: H, 4.13	—	—	Text Exact Reported	main p.3; article p.1395 · Synthesis
Elemental analysis found N	Found: N, 23.38	—	—	Text Exact Reported	main p.3; article p.1395 · Synthesis
Complex 1 isolated yield	Yield ca. 90%	—	ca.	Text Approximate	main p.3; article p.1395 · Synthesis

I2@1 iodine-loaded bulk solid · Powder

Complex 1 exposed to spontaneous iodine vapour in a sealed vial; colour changes recorded at 5 s, 2 min and 90 min.

Temperature: room temperature
Atmosphere: iodine vapour in sealed vial
Geometry: bulk solid sample
Context: guest-loaded target produced from pristine host
Measurement source: main p.4-5; article pp.1395-1396 · Iodine molecule uptake · Fig. 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Time to black I2@1 solid	after 90 minutes	5400 s	—	Text Exact Reported	main p.4-5; article pp.1395-1396 · Iodine molecule uptake · Fig. 2
Time to brown colour on iodine exposure	within 5 seconds	5 s	within	Text Approximate	main p.4-5; article pp.1395-1396 · Iodine molecule uptake · Fig. 2
I2 molecules per formula unit after uptakeMarked as a best value within this paper	ca. 1.4 I2 molecules per formula unit	—	ca.	Text Approximate	main p.4; article p.1395 · Iodine molecule uptake
Ideal I2 loading for adjacent iodides	ideal value of 1.5	—	—	Text Exact Reported	main p.4; article p.1395 · Iodine molecule uptake
Iodine uptake weight increaseMarked as a best value within this paper	ca. 25 wt%	—	ca.	Text Approximate	main p.4; article p.1395 · Iodine molecule uptake

Bulk colourless rod-shaped crystals of complex 1 · Powder

N2 flow 100 mL min^-1; heating rate 10 degC min^-1; aluminium oxide crucible; empty crucible reference; temperature range 30-800 degC.

Atmosphere: N2, 100 mL min^-1
Geometry: bulk sample in aluminium oxide crucible
Context: pristine host thermal stability
Measurement source: main p.2-4; article pp.1394-1395 · Characterization; X-ray powder diffraction and thermal analysis · Fig. S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Complex 1 decomposition temperature	ca. 450 degC	723.15 K	ca.	Text Approximate	main p.4; article p.1395 · X-ray powder diffraction and thermal analysis · Fig. S2
Complex 1 first and second weight loss	experimental 12.53%, calculated 10.0%	—	—	Text Exact Reported	main p.4; article p.1395 · X-ray powder diffraction and thermal analysis · Fig. S2

I2@1 iodine-loaded bulk solid · Powder

I2@1 heated from 30 to 800 degC; text assigns continuous loss in stages.

Atmosphere: N2, 100 mL min^-1
Geometry: guest-loaded bulk sample in crucible
Context: iodine-loaded target thermal behaviour
Measurement source: main p.4; article p.1395 · X-ray powder diffraction and thermal analysis · Fig. S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
I2@1 continuous TGA loss range	30 degC-800 degC	—	—	Text Range	main p.4; article p.1395 · X-ray powder diffraction and thermal analysis · Fig. S2
I2@1 polyiodide/iodine release weight loss	about 25% from 150 degC to 350 degC	—	about	Text Approximate	main p.4; article p.1395 · X-ray powder diffraction and thermal analysis · Fig. S2