Diffraction Structure — Mo-Based crystal POMOFs with a high electrochemical capacitor performance

3 measurement groups · 11 results

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

yellow block crystals of compound 1 · Single Crystal

Crystal sealed in capillary; data collected at 298 K; structure solved by SHELXS-97 and refined by SHELXL-2014.

Temperature: 298
Atmosphere: sealed capillary
Geometry: single crystal
Context: pristine POMOF crystal
Measurement source: p002 / article p.13027 · Experimental - Single crystal X-ray crystallography · Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
compound 1 structural dimensionality	2D lattice layers; 3D supramolecular packing by H bonds	—	—	Text Qualitative	p004 / article p.13029 · Structure of compound 1 · Figs. 2-3
compound 1 POM2-btx2-Cu(I)4 parallelogram side length	13.0	—	—	Text Rounded Reported	p003 / article p.13028 · Structure of compound 1 · Fig. 2
compound 1 POM2-btx2-Cu(I)4 parallelogram side length	13.8	—	—	Text Rounded Reported	p003 / article p.13028 · Structure of compound 1 · Fig. 2
compound 1 R1 for I > 2sigma(I)	0.0325	—	—	Table Exact Reported	p003 / article p.13028 · Results and discussion - Table 1 · Table 1
compound 1 space group	P-1 (triclinic)	—	—	Table Exact Reported	p003 / article p.13028 · Results and discussion - Table 1 · Table 1
compound 1 unit-cell volume	1470.4(3)	—	(3)	Table Exact Reported	p003 / article p.13028 · Results and discussion - Table 1 · Table 1

green block crystals of compound 2 · Single Crystal

Crystal sealed in capillary; data collected at 298 K; structure solved by SHELXS-97 and refined by SHELXL-2014.

Temperature: 298
Atmosphere: sealed capillary
Geometry: single crystal
Context: pristine POMOF crystal
Measurement source: p002 / article p.13027 · Experimental - Single crystal X-ray crystallography · Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
compound 2 structural dimensionality	3D Cu-MOF host-guest structure with 1D POM chains	—	—	Text Qualitative	p004 / article p.13029 · Structure of compound 2 · Figs. 4-5
compound 2 R1 for I > 2sigma(I)	0.0608	—	—	Table Exact Reported	p003 / article p.13028 · Results and discussion - Table 1 · Table 1
compound 2 space group	P21/c (monoclinic)	—	—	Table Exact Reported	p003 / article p.13028 · Results and discussion - Table 1 · Table 1
compound 2 unit-cell volume	4021(3)	—	(3)	Table Exact Reported	p003 / article p.13028 · Results and discussion - Table 1 · Table 1

yellow block crystals of compound 1 · Single Crystal

2theta 5-50 degrees; scanning rate 4 degrees s-1; experimental patterns compared with simulated patterns for compounds 1 and 2.

Atmosphere: air exposure noted
Geometry: powder
Context: pristine POMOFs
Measurement source: p002-p003 / article pp.13027-13028 · Experimental; Results and discussion - Synthesis analyses · Figure S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
experimental versus simulated PXRD agreement	experimental and simulated patterns broadly consistent; differences attributed to slight loss of water molecules on air exposure	—	—	Text Qualitative	p003 / article p.13028 · Synthesis analyses · Figure S5