Diffraction Structure — Nanoporous synthetic metal: A nickel MOF with an amino-functionalized macrocyclic ligand

5 measurement groups · 18 results

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

Cu-HATC powders · Powder

PXRD fitted against simulated packing modes; slipped AA best fit

Context: pristine Cu-HATC
Measurement source: S30-S31 · Synthesis and characterization of Cu-HATC · Figure S38; Table S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
lattice parameter a	28.16 A	—	—	SI Table Exact Reported	S31 · Synthesis and characterization of Cu-HATC · Table S2
alpha angle	89.63 deg	—	—	SI Table Exact Reported	S31 · Synthesis and characterization of Cu-HATC · Table S2
lattice parameter b	28.16 A	—	—	SI Table Exact Reported	S31 · Synthesis and characterization of Cu-HATC · Table S2
beta angle	87.45 deg	—	—	SI Table Exact Reported	S31 · Synthesis and characterization of Cu-HATC · Table S2
lattice parameter c	3.31 A	—	—	SI Table Exact Reported	S31 · Synthesis and characterization of Cu-HATC · Table S2
gamma angle	124.36 deg	—	—	SI Table Exact Reported	S31 · Synthesis and characterization of Cu-HATC · Table S2
best-fit stacking mode	slipped AA packing	—	—	Caption Qualitative	S30 · Synthesis and characterization of Cu-HATC · Figure S38
Pawley Rw	5.54 %	—	—	SI Table Exact Reported	S31 · Synthesis and characterization of Cu-HATC · Table S2
space group	P1	—	—	SI Table Exact Reported	S31 · Synthesis and characterization of Cu-HATC · Table S2

Cu-HHTC powders · Powder

PXRD patterns of Cu-HHTC compared to Cu-HATC and Ni-HATC

Context: pristine Cu-HHTC
Measurement source: S34 · Synthesis and characterization of Cu-HHTC · Figure S43

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PXRD comparison outcome	Cu-HHTC pattern shown and compared with Cu-HATC and Ni-HATC	—	—	Caption Qualitative	S34 · Synthesis and characterization of Cu-HHTC · Figure S43

Ni-HATC thin film on glass · Thin Film

Ni-HATC thin-film pattern compared directly with bulk powder

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
thin-film PXRD agreement with bulk powder	PXRD of thin film closely matched bulk powder.	—	—	Text Qualitative	4 · Thin-film characterisation

Ni-HATC bulk powders · Powder

PXRD fitted against simulated packing modes; Cu K alpha wavelength 1.5418 A

Context: pristine Ni-HATC
Measurement source: S21-S22 · Characterization of Ni-HATC powders · Figure S24; Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
lattice parameter a=b	27.04 A	—	—	SI Table Exact Reported	S22 · Characterization of Ni-HATC powders · Table S1
lattice parameter c	3.30 A	—	—	SI Table Exact Reported	S22 · Characterization of Ni-HATC powders · Table S1
simulated channel width	22.6 A	—	—	Figure Axis Exact Reported	3 · Figure 2A · 2A
best-fit stacking mode	AA-eclipsed packing	—	—	Text Qualitative	p. 3 · Synthesis and characterization of Ni-HATC · Figure S24
Pawley Rw	3.82 %	—	—	SI Table Exact Reported	S22 · Characterization of Ni-HATC powders · Table S1
space group	P6/mmm	—	—	SI Table Exact Reported	S22 · Characterization of Ni-HATC powders · Table S1

Ni-HATC bulk powders · Powder

Ni-HATC heated at RT, 40, 60, 80 and 100 C for 1 h

Context: pristine Ni-HATC
Measurement source: S37 · Electronic properties of structural analogs · Figure S45

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
structural integrity during temperature-dependent transport	PXRD peaks retained across measured temperature range	—	—	Text Qualitative	p. 4 · Electronic properties of structural analogs · Figure S45