Diffraction Structure — Upgrading Structural Conjugation in Three-Dimensional Ni-Based Metal-Organic Frameworks for Promoting Electrical Conductivity and Specific Capacitance

Measurement evidence

Diffraction Structure

Upgrading Structural Conjugation in Three-Dimensional Ni-Based Metal-Organic Frameworks for Promoting Electrical Conductivity and Specific Capacitance · Tai H., Ding W., Zhang X. et al. · Inorganic Chemistry · 2024 · 18083-18091

3 measurement groups · 12 results

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

Powder X-ray diffraction

as-synthesised Ni-BPE crystals · Single Crystal

PANalytical EMPYREAN; Cu Kalpha; 2theta 5-50 degrees

Geometry
powder pattern
Context
pristine target MOF
Measurement source
p. 18087 · XPS, PXRD, IR, and TGA Characterization · Figure 2a
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD phase/crystallinity assignmentexperimental PXRD agreed well with simulated patternText
Qualitative
p. 18087 · XPS, PXRD, IR, and TGA Characterization · Figure 2a

Powder X-ray diffraction

as-synthesised Ni-BPY crystals · Single Crystal

PANalytical EMPYREAN; Cu Kalpha; 2theta 5-50 degrees

Geometry
powder pattern
Context
pristine control MOF
Measurement source
p. 18087 · XPS, PXRD, IR, and TGA Characterization · Figure 2a
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD phase/crystallinity assignmentexperimental PXRD agreed well with simulated patternText
Qualitative
p. 18087 · XPS, PXRD, IR, and TGA Characterization · Figure 2a

Single-crystal X-ray diffraction

as-synthesised Ni-BPE crystals · Single Crystal

Bruker APEX-II CCD; graphite-monochromic Mo Kalpha radiation, lambda = 0.71073 A; data collected at 273.15 K; structure refined with SHELXTL-97/OLEX-2

Temperature
273.15
Geometry
single crystal
Context
pristine target MOF
Measurement source
p. 18084 · Experimental Section - Single-Crystal X-ray Analysis · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Ni-BPE unit-cell a16.7465(10) ASI Table
Exact Reported
S2 · Table S1 · Table S1
Ni-BPE unit-cell b16.7465(10) ASI Table
Exact Reported
S2 · Table S1 · Table S1
Ni-BPE unit-cell c13.5599(9) ASI Table
Exact Reported
S2 · Table S1 · Table S1
Ni-BPE unit-cell volume3293.3(4) A3SI Table
Exact Reported
S2 · Table S1 · Table S1
Ni-BPE unit-cell z6SI Table
Exact Reported
S2 · Table S1 · Table S1
Ni-BPE empirical formulaC21H13N4NiO6SI Table
Exact Reported
S2 · Table S1 · Table S1
Ni-BPE Ni-N bond length1.929 ASI Table
Exact Reported
S3 · Table S2 · Table S2
Ni-BPE Ni-O bond length maximum2.109 ASI Table
Exact Reported
S3 · Table S2 · Table S2
Ni-BPE Ni-O bond length minimum2.060 ASI Table
Exact Reported
S3 · Table S2 · Table S2
Ni-BPE space groupP-3c1SI Table
Exact Reported
S2 · Table S1 · Table S1