Crystallography Open Database

Information card for entry 4508996

Preview

Coordinates	4508996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 N2 O4 Zn
Calculated formula	C28 H20 N2 O4 Zn
Title of publication	Two Novel Noncentrosymmetric Zinc Coordination Compounds with Second Harmonic Generation Response, and Potential Piezoelectric and Ferroelectric Properties
Authors of publication	Hang, Tian; Fu, Da-Wei; Ye, Qiong; Xiong, Ren-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	5
Pages of publication	2026
a	9.5921 ± 0.0008 Å
b	13.7579 ± 0.0012 Å
c	17.562 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2317.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	0.79
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179625 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/89.	4508996.cif
97068	2014-01-29	cif/ Adding structures of 4508996 via cif-deposit CGI script.	4508996.cif