Crystallography Open Database

Information card for entry 1512792

Preview

Coordinates	1512792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 Cl2 N3 O Zn
Calculated formula	C16 H11 Cl2 N3 O Zn
SMILES	[Zn]12(Cl)(Cl)[OH]c3cccc4c3[n]2c(c2[n]1c1c([nH]2)cccc1)cc4
Title of publication	Synthesis, structure and fluorescent properties of 2-(1H-benzoimidazol-2-yl)quinolin-8-ol ligands and their zinc complexes
Authors of publication	Juanjuan Xia; Zihong Zhou; Wen Li; Hu-Qin Zhang; Carl Redshaw; Wen-Hua Sun
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	569 - 575
a	9.076 ± 0.0018 Å
b	24.935 ± 0.005 Å
c	10.639 ± 0.002 Å
α	90°
β	98.86 ± 0.03°
γ	90°
Cell volume	2379 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0802
Weighted residual factors for significantly intense reflections	0.2192
Weighted residual factors for all reflections included in the refinement	0.2307
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512792.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512792.cif
90877	2013-11-20	cif/ Adding structures of 1512792 via cif-deposit CGI script.	1512792.cif