Diffraction Structure — 2D conjugated metal-organic framework as a proton-electron dual conductor

3 measurement groups · 16 results

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

As-synthesised Zn-HHTP-H2O powder · Powder

PXRD data collected at beamline 17-BM, Advanced Photon Source; lambda = 0.44347 Angstrom.

Context: Pristine framework.
Measurement source: main p.3-p.4 / article p.144-p.145 · Results and discussion - Synthesis and characterizations of Zn-HHTP-H2O · Figure 1B; Table S1; Figure S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Crystal system	Triclinic	—	—	SI Table Exact Reported	SI p.7 · Structure refinement · Table S1
d002 stacking distance	d002 = 3.09 Angstrom	—	—	Text Exact Reported	main p.3 / article p.144 · Results and discussion - Synthesis and characterizations of Zn-HHTP-H2O · Figure 1B
d100 pore diffraction spacing	d100 = 18.41 Angstrom	—	—	Text Exact Reported	main p.3 / article p.144 · Results and discussion - Synthesis and characterizations of Zn-HHTP-H2O · Figure 1B
a = b lattice parameter	a = b = 21.2601 Angstrom	—	—	SI Table Exact Reported	SI p.7 · Structure refinement · Table S1
c lattice parameter	c = 6.1801 Angstrom	—	—	SI Table Exact Reported	SI p.7 · Structure refinement · Table S1
Pawley Rwp	Rwp = 5.29%	—	—	Text Exact Reported	main p.3 / article p.144 · Results and discussion - Synthesis and characterizations of Zn-HHTP-H2O · Figure 1A; Table S1; Figure S5
Space group	P1	—	—	SI Table Exact Reported	SI p.7 · Structure refinement · Table S1

As-synthesised Zn-HHTP-H2O powder · Powder

Temperature, base amount, solvent and reaction-time optimisation products measured with Cu K alpha radiation (lambda = 1.5418 Angstrom).

Context: Pristine framework synthesis optimisation.
Measurement source: SI p.3-p.6 · Synthesis optimization of Zn-HHTP-H2O · Figures S1-S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Optimised synthesis temperature	Best crystallinity at 85 deg C in temperature series	—	—	Figure Axis Approximate	SI p.3 · Synthesis optimization of Zn-HHTP-H2O - Temperature effect · Figure S1

Zn-HHTP-urea powder · Powder

PXRD of urea-treated MOF; Cu K alpha radiation lambda = 1.5418 Angstrom for SI refinement and Figure 4B.

Context: Urea-functionalised framework.
Measurement source: main p.7 / article p.148 · Results and discussion - Urea functionalization of Zn-HHTP-H2O · Figure 4B; Table S4; Figure S16

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Beta angle	beta = 105.3314 degrees	—	—	SI Table Exact Reported	SI p.13 · Structure refinement · Table S4
Crystal system	Monoclinic	—	—	SI Table Exact Reported	SI p.13 · Structure refinement · Table S4
a lattice parameter	a = 37.4465 Angstrom	—	—	SI Table Exact Reported	SI p.13 · Structure refinement · Table S4
b lattice parameter	b = 21.4130 Angstrom	—	—	SI Table Exact Reported	SI p.13 · Structure refinement · Table S4
c lattice parameter	c = 7.4077 Angstrom	—	—	SI Table Exact Reported	SI p.13 · Structure refinement · Table S4
Pawley Rwp	Rwp = 8.54%	—	—	Text Exact Reported	main p.7 / article p.148 · Results and discussion - Urea functionalization of Zn-HHTP-H2O · Table S4
Space group	C2/m	—	—	SI Table Exact Reported	SI p.13 · Structure refinement · Table S4
Stacking distance after urea substitution	increased from 3.1 to 3.5 Angstrom	—	—	Text Rounded Reported	main p.7 / article p.148 · Results and discussion - Urea functionalization of Zn-HHTP-H2O · Figure 4B