Diffraction Structure — Enhancement in electrical conductivity of a porous indium based metal-organic framework upon I2 uptake: Combined experimental and theoretical investigations

Measurement evidence

Diffraction Structure

Enhancement in electrical conductivity of a porous indium based metal-organic framework upon I2 uptake: Combined experimental and theoretical investigations · Mani P., Mandal N., Roopesh M. et al. · Journal of Materials Chemistry C · 2020 · 4836-4842

2 measurement groups · 7 results

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

Powder X-ray diffraction

X-ray diffraction and scattering

I2@1 - about 10 days · Powder

PXRD compared I2@1 (0.1 M iodine - 10 days), experimental 1 and simulated 1.

Context: Guest-loaded sample compared with pristine framework.
Measurement source: p006 · Figure S3 · Fig. S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
I2@1 retains framework structural integrity by PXRD	I2@1 maintained the structural integrity after I2 incorporation	—	—	Text Qualitative	p002 · Results and discussion · Fig. S3

Single-crystal X-ray diffraction; crystallographic parameter table

X-ray diffraction and scattering

compound 1 pristine In-MOF · Single Crystal

Crystallographic parameters reported for compound 1.

Context: Pristine framework structure.
Measurement source: p003 · Table S1 · Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit-cell a parameter of compound 1	13.5642(13)	—	(13)	SI Table Exact Reported	p003 · Table S1 · Table S1
unit-cell c parameter of compound 1	15.6425(12)	—	(12)	SI Table Exact Reported	p003 · Table S1 · Table S1
unit-cell volume of compound 1	2878.0(6)	—	(6)	SI Table Exact Reported	p003 · Table S1 · Table S1
calculated density of compound 1	1.138	—	—	SI Table Exact Reported	p003 · Table S1 · Table S1
crystallographic chemical formula of compound 1	C7H2In0.50N0.50O4S	—	—	SI Table Exact Reported	p003 · Table S1 · Table S1
space group of compound 1	P4322	—	—	SI Table Exact Reported	p003 · Table S1 · Table S1