Crystallography Open Database

Information card for entry 1564211

Preview

Coordinates	1564211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 N5 O
Calculated formula	C19 H15 N5 O
SMILES	O=C1N(/N=C/c2cnccc2)C(Nc2c1cccc2)c1cnccc1
Title of publication	Self-discriminating and counteranion-controlled self-assembly: Two heterochiral Cd(II) coordination polymers based on a racemic bis(pyridyl) ligand
Authors of publication	Liu, Yong-Jie; Chen, Ya-Ting; Chen, Ming-Zhao; Mo, Xing-Jun; Huang, Chao; Chen, Dong-Mei; Zhu, Bi-Xue
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	510
Pages of publication	119702
a	8.162 ± 0.005 Å
b	16.225 ± 0.01 Å
c	12.259 ± 0.007 Å
α	90°
β	101.335 ± 0.019°
γ	90°
Cell volume	1591.8 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
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	0.1202
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1481
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
267637 (current)	2021-07-19	cif/ Adding structures of 1564211 via cif-deposit CGI script.	1564211.cif