Crystallography Open Database

Information card for entry 4114419

Preview

Coordinates	4114419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 N2 O2 S2 Zn
Calculated formula	C26 H16 N2 O2 S2 Zn
Title of publication	Structures, Electronic States, and Electroluminescent Properties of a Zinc(II) 2-(2-Hydroxyphenyl)benzothiazolate Complex
Authors of publication	Gui Yu; Shiwei Yin; Yunqi Liu; Zhigang Shuai; Daoben Zhu
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	14816 - 14824
a	9.489 ± 0.0019 Å
b	9.5687 ± 0.0019 Å
c	11.685 ± 0.002 Å
α	84.38 ± 0.03°
β	78.94 ± 0.03°
γ	83.32 ± 0.03°
Cell volume	1031.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
178915 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/44.	4114419.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114419.cif
67740	2012-10-03	cif/ Adding structures of 4114419 via cif-deposit CGI script.	4114419.cif