Crystallography Open Database

Information card for entry 1512793

Preview

Coordinates	1512793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Cl0 N6 O2 Zn
Calculated formula	C36 H28 N6 O2 Zn
SMILES	[Zn]1234(Oc5c6[n]1c(ccc6ccc5)c1n(c5ccccc5[n]41)CC)[n]1c(c4[n]2c2c(n4CC)cccc2)ccc2c1c(ccc2)O3
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	10.21 ± 0.002 Å
b	11.156 ± 0.002 Å
c	15.065 ± 0.003 Å
α	94.4 ± 0.03°
β	109.2 ± 0.03°
γ	101.05 ± 0.03°
Cell volume	1572.3 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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 significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1573
Weighted residual factors for all reflections included in the refinement	0.1636
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	1512793.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512793.cif
90878	2013-11-20	cif/ Adding structures of 1512793 via cif-deposit CGI script.	1512793.cif