Crystallography Open Database

Information card for entry 7227113

Preview

Coordinates	7227113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Cl2 N2 Zn
Calculated formula	C13 H12 Cl2 N2 Zn
SMILES	[Zn]1(Cl)(Cl)[n]2c(cccc2)C(=[N]1c1ccccc1)C
Title of publication	Luminescent Properties of Zn(II) Supramolecular Framework: Easily Tunable Optical Properties by Variation of the Alkyl Substitution of (E)-N-(Pyridine-2-ylethylidyne)arylamine Ligands
Authors of publication	Dong, Yuwei; Fan, Ruiqing; Chen, Wei; Zhang, Huijie; Song, Yang; Du, Xi; Wang, Ping; Wei, Liguo; Yang, Yulin
Journal of publication	RSC Adv.
Year of publication	2016
a	9.5582 ± 0.0005 Å
b	10.9115 ± 0.0005 Å
c	13.6401 ± 0.0006 Å
α	90°
β	92.856 ± 0.004°
γ	90°
Cell volume	1420.82 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	0.808
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
188456 (current)	2016-11-15	cif/ Adding structures of 7227112, 7227113, 7227114, 7227115, 7227116 via cif-deposit CGI script.	7227113.cif