Crystallography Open Database

Information card for entry 1565753

Preview

Coordinates	1565753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cu I N6
Calculated formula	C20 H16 Cu I N6
Title of publication	Facile synthesis of a luminescent copper(I) coordination polymer containing a flexible benzotriazole-based ligand: An effective catalyst for three-component azide-alkyne cycloaddition
Authors of publication	Nuñez-Dallos, Nelson; Muñoz-Castro, Alvaro; Fuentealba, Mauricio; Pérez, Edwin G.; Hurtado, John J.
Journal of publication	Inorganica Chimica Acta
Year of publication	2019
Journal volume	498
Pages of publication	119136
a	11.2216 ± 0.0011 Å
b	11.471 ± 0.0011 Å
c	15.0558 ± 0.0016 Å
α	90°
β	92.77 ± 0.006°
γ	90°
Cell volume	1935.8 ± 0.3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271406 (current)	2021-12-14	cif/ Adding structures of 1565753 via cif-deposit CGI script.	1565753.cif