Diffraction Structure — Correlation in Structural Architecture toward Fabrication of Schottky Device with a Series of Pyrazine Appended Coordination Polymers

Measurement evidence

Diffraction Structure

Correlation in Structural Architecture toward Fabrication of Schottky Device with a Series of Pyrazine Appended Coordination Polymers · Bhunia S., Sahoo D., Dutta B. et al. · Inorganic Chemistry · 2023 · 20948-20960

6 measurement groups · 9 results

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

PXRD and TGA

As-synthesised crystals/powder of 1 · Powder

PXRD with Cu Kalpha radiation, 1.548 A, room temperature; TGA 30-800 C at 10 C/min under N2.

Atmosphere
N2 for TGA
Context
pristine framework powder
Measurement source
20949 · Synthesis and Formulation · Figures S4-S5
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Thermal stability limitstable up to nearly 267 CText
Approximate
20949 · Synthesis and Formulation · Figure S5

PXRD and TGA

As-synthesised crystals/powder of 2 · Powder

PXRD with Cu Kalpha radiation, 1.548 A, room temperature; TGA 30-800 C at 10 C/min under N2.

Atmosphere
N2 for TGA
Context
pristine framework powder
Measurement source
20949 · Synthesis and Formulation · Figures S4-S5
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Thermal stability limitstable up to nearly 391 CText
Approximate
20949 · Synthesis and Formulation · Figure S5

PXRD and TGA

As-synthesised crystals/powder of 3 · Powder

PXRD with Cu Kalpha radiation, 1.548 A, room temperature; TGA 30-800 C at 10 C/min under N2.

Atmosphere
N2 for TGA
Context
pristine framework powder
Measurement source
S6 · TGA spectra · Figure S5
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Thermal stability limitMarked as a best value within this paperstable up to nearly 423 CText
Approximate
20949 · Synthesis and Formulation · Figure S5

Single-crystal X-ray diffraction

As-synthesised crystals/powder of 1 · Powder

Mo-Kalpha radiation, lambda = 0.71073 A; 273(2) K; Bruker APEX-II CCD; SHELX-97 refinement.

Temperature
273(2)
Context
pristine framework crystal
Measurement source
S9 · Structure determination by X-Ray · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Shortest reported pi-pi ring-centroid distance5.114(14)(14)SI Table
Exact Reported
S12 · pi-pi interaction · Table S7
Space groupP-1SI Table
Exact Reported
S9 · Crystal data · Table S1

Single-crystal X-ray diffraction

As-synthesised crystals/powder of 2 · Powder

Mo-Kalpha radiation, lambda = 0.71073 A; 273 K; Bruker APEX-II CCD; SHELX-97 refinement.

Temperature
273
Context
pristine framework crystal
Measurement source
S10 · Structure determination by X-Ray · Table S3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Shortest reported pi-pi ring-centroid distance4.31(18)(18)SI Table
Exact Reported
S12 · pi-pi interaction · Table S7
Space groupCccaSI Table
Exact Reported
S10 · Crystal data · Table S3

Single-crystal X-ray diffraction

As-synthesised crystals/powder of 3 · Powder

Mo-Kalpha radiation, lambda = 0.71073 A; 273(2) K; Bruker APEX-II CCD; SHELX-97 refinement.

Temperature
273(2)
Context
pristine framework crystal
Measurement source
S11 · Structure determination by X-Ray · Table S5
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Shortest reported pi-pi ring-centroid distanceMarked as a best value within this paper4.14(3)(3)SI Table
Exact Reported
S12 · pi-pi interaction · Table S7
Space groupP-1SI Table
Exact Reported
S11 · Crystal data · Table S5