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X-ray powder diffraction analysis of an organic adduct m-nitrobenzoic acid diethanolamina for nonlinear optics

Published online by Cambridge University Press:  05 March 2012

Yunxia Che ,
Jimin Zheng ,
Jianmin Hao  and
Lianqing Chu
Yunxia Che
Affiliation:
Department of Chemistry, Nankai University, 94 Weijin Road, Tianjin, 300071, People’s Republic of China
Jimin Zheng
Affiliation:
Department of Chemistry, Nankai University, 94 Weijin Road, Tianjin, 300071, People’s Republic of China
Jianmin Hao
Affiliation:
Tianjin Electronic Materials Research Institute, Tianjin, 300192, People’s Republic of China
Lianqing Chu
Affiliation:
Tianjin Electronic Materials Research Institute, Tianjin, 300192, People’s Republic of China
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Abstract

An organic adduct nonlinear optical material m-nitrobenzoic acid⋅diethanolamina (C11H16N2O6) has been characterized by X-ray powder diffraction. Experimental values of 2θ corrected for systematic errors, relative peak intensities, values of d, and the Miller indices of 56 observed reflections are reported. The powder diffraction data have been evaluated, and the figure of merit was found to be F30=57.9 (0.0108, 48). The unit cell parameters were refined by a least-squares fit with a Cc space group and a=22.973(5) Å, b=4.6657(6) Å, c=15.023(3) Å, β =124.45(1)°, V=1327.75 Å3; Z=4, Dx=1.37 g/cm3. The powder diffraction results are in agreement with those obtained from single crystal structure data.

Type
New Diffraction Data
Information
Powder Diffraction , Volume 16 , Issue 3 , September 2001 , pp. 165 - 166
Copyright
Copyright © Cambridge University Press 2001

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References

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