Diffraction Structure — Fabrication of nonlinear optical metal-organic framework dizinc tetraglycinate dihydrate with optical limiting applications

3 measurement groups · 23 results

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

DZTGD single crystal · Single Crystal

PXRD pattern used for crystallinity and cell-volume comparison

Geometry: powder diffraction
Context: pristine DZTGD
Measurement source: 2 · 2.2 Characterization Studies; 4.2 PXRD analysis · Fig. 4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
First high-intensity PXRD peak position	2θ = 11.44°	—	—	Text Exact Reported	3 · 4.2 PXRD analysis · Fig. 4
First high-intensity PXRD peak intensity	5507.67 au	—	—	Text Exact Reported	3 · 4.2 PXRD analysis · Fig. 4
Second PXRD peak position	2θ = 22.03°	—	—	Text Exact Reported	3 · 4.2 PXRD analysis · Fig. 4
Second PXRD peak intensity	897.01 au	—	—	Text Exact Reported	3 · 4.2 PXRD analysis · Fig. 4
Third PXRD peak position	2θ = 12.13°	—	—	Text Exact Reported	3 · 4.2 PXRD analysis · Fig. 4
Third PXRD peak intensity	847.78 au	—	—	Text Exact Reported	3 · 4.2 PXRD analysis · Fig. 4
PXRD-derived unit cell volume	777.3280(4) A0 3	—	(4)	Text Exact Reported	3 · 4.2 PXRD analysis

DZTGD single crystal · Single Crystal

298(2) K; wavelength 1.54178 Å; crystal size 0.297 × 0.157 × 0.048 mm3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Unit cell alpha	α = 106.0910(10)°	—	(10)	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2
Unit cell beta	β = 106.1650(10)°	—	(10)	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2
Unit cell a	a = 9.1548(2) Å	—	(2)	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2
Unit cell b	b = 9.5786(3) Å	—	(3)	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2
Unit cell c	c = 10.4534(3) Å	—	(3)	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2
Crystal system	Triclinic	—	—	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2
Calculated density	1.985 Mg/m3	—	—	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2
Empirical formula	C8 H20 N4 O10 Zn2	—	—	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2
Formula weight	463.02	—	—	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2
Unit cell gamma	γ = 107.0750(10)°	—	(10)	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2
Final R1 for I > 2sigma(I)	R1 = 0.0320	—	—	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2
R(int)	0.0391	—	—	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2
Space group	P -1	—	—	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2
SXRD unit cell volume	774.64(4) Å3	—	(4)	Table Exact Reported	5 · 4.1 SXRD analysis · Table 2

DZTGD single crystal · Single Crystal

W-H plot slope and intercept used to derive lattice strain and crystallite size

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Crystallite size	2.756 μm	—	—	Text Exact Reported	6 · 4.3 Williamson-hall method · Fig. 5
Lattice strain	0.04375	—	—	Text Exact Reported	6 · 4.3 Williamson-hall method · Fig. 5