Crystallography Open Database

Information card for entry 1564762

Preview

Coordinates	1564762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 Cu N2 O8
Calculated formula	C26 H16 Cu N2 O8
SMILES	OC(=O)c1ccc(c2cc3C(=O)O[Cu]4([n]3cc2)[n]2c(C(=O)O4)cc(cc2)c2ccc(cc2)C(=O)O)cc1
Title of publication	Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties
Authors of publication	Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	507
Pages of publication	119600
a	5.0488 ± 0.0001 Å
b	7.0315 ± 0.0002 Å
c	15.7214 ± 0.0005 Å
α	90.55 ± 0.001°
β	97.649 ± 0.001°
γ	106.136 ± 0.001°
Cell volume	530.73 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
269369 (current)	2021-09-29	cif/ Adding structures of 1564756, 1564757, 1564758, 1564759, 1564760, 1564761, 1564762, 1564763 via cif-deposit CGI script.	1564762.cif