Diffraction Structure — Three-Dimensional-Coordination Polymer of Zn(II)-Carboxylate: Structural Elucidation, Photoelectrical Conductivity, and Biological Activity

3 measurement groups · 8 results

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

as-synthesised brown crystals of compound 1 · Single Crystal

Yellow ppmh and brown compound 1 single crystals; graphite-monochromated Mo Kalpha, lambda = 0.71073 A.

Context: pristine framework
Measurement source: 17658 · Experimental Section, X-ray Crystallography · Table 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit-cell a axis	10.589(5) A	—	(5)	Table Exact Reported	17658 · Experimental Section, X-ray Crystallography · Table 2
unit-cell b axis	17.347(7) A	—	(7)	Table Exact Reported	17658 · Experimental Section, X-ray Crystallography · Table 2
unit-cell c axis	16.501(5) A	—	(5)	Table Exact Reported	17658 · Experimental Section, X-ray Crystallography · Table 2
final R1 index	R1 = 0.0501	—	—	Table Exact Reported	17658 · Experimental Section, X-ray Crystallography · Table 2
space group	P21	—	—	Table Exact Reported	17658 · Experimental Section, X-ray Crystallography · Table 2
unit-cell volume	3030(2) A3	—	(2)	Table Exact Reported	17658 · Experimental Section, X-ray Crystallography · Table 2

ppmh yellow rod-shaped crystals · Single Crystal

Yellow single crystal of ppmh.

Context: ligand control
Measurement source: 17658 · Experimental Section, X-ray Crystallography · Table 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
space group	P21/n	—	—	Table Exact Reported	17658 · Experimental Section, X-ray Crystallography · Table 2

as-synthesised brown crystals of compound 1 · Single Crystal

Grinded sample; 2theta range 5-50 degrees; simulated room-temperature and as-synthesised patterns compared for compound 1 and ppmh.

Context: pristine framework and ligand control
Measurement source: 17650 · Results and Discussion, Structural Descriptions · Figure S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
bulk phase purity by PXRD	simulated and as-synthesised PXRD patterns are well matched	—	—	Text Qualitative	17650 · Results and Discussion, Structural Descriptions · Figure S3