Diffraction Structure — Lowering Band Gap of an Electroactive Metal-Organic Framework via Complementary Guest Intercalation

Measurement evidence

Diffraction Structure

Lowering Band Gap of an Electroactive Metal-Organic Framework via Complementary Guest Intercalation · Guo Z., Panda D.K., Gordillo M.A. et al. · ACS Applied Materials and Interfaces · 2017 · 32413-32417

3 measurement groups · 7 results

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

CIF structural model

Activated DSNDI-based MOF-74 powder · Powder

Activated Zn-NDI-74 CIF; trigonal R3 model.

Context
Pristine activated framework
Measurement source
CIF header
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Activated CIF cell length aMarked as a best value within this paper_cell_length_a 52.6940Table
Exact Reported
CIF cell constants
Activated CIF cell length cMarked as a best value within this paper_cell_length_c 6.6941Table
Exact Reported
CIF cell constants

Powder X-ray diffraction with Le Bail refinement; Rigaku diffractometer with Cu Kalpha source

Activated DSNDI-based MOF-74 powder · Powder

MOF powder in glass capillaries; activated DSNDI-based MOF-74 compared with simulated PXRD pattern.

Context
Pristine framework structural assignment
Measurement source
p002 / article p.32414 · Main text · Figure 2a
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Approximate a=b lattice parametera = b approximately 53 AngstromText
Approximate
p002 / article p.32414 · Main text
Le Bail RpRp = 0.0453Caption
Exact Reported
p002 / article p.32414 · Figure 2 caption · Figure 2a
Le Bail RwpRwp = 0.0595Caption
Exact Reported
p002 / article p.32414 · Figure 2 caption · Figure 2a
PXRD space group assignmenttrigonal R3Text
Exact Reported
p002 / article p.32414 · Main text · Figure 2a

Powder X-ray diffraction

TTF-doped DSNDI-based MOF-74 powder · Powder

PXRD profile of TTF-doped MOF-74 compared with undoped MOF-74.

Context
Guest-loaded target sample vs pristine control
Measurement source
p004 / article p.32416 · Main text · Figure S8 citation
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Framework retained after TTF infiltrationTTF-doped PXRD profile matched well with undoped MOFText
Qualitative
p004 / article p.32416 · Main text · Figure S8