Crystallography Open Database

Information card for entry 1566110

Preview

Coordinates	1566110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H21 Cu F6 N5 Si
Calculated formula	C6 H21 Cu F6 N5 Si
SMILES	[Cu]123([NH](CC[NH2]2)CC[NH2]1)[NH2]CC[NH2]3.[Si](F)(F)(F)(F)([F-])[F-]
Title of publication	A new copper(II) chelate complex with polyamines as fire retardant and epoxy hardener: Synthesis, crystal and electronic structure, and thermal behavior of (ethylenediamine-N,N′)-(diethylenetriamine-N,N′,N″)-copper(II) hexafluoridosilicate
Authors of publication	Lavrenyuk, Helen; Mykhalichko, Borys; Dziuk, Błażej; Olijnyk, Volodymyr; Mykhalichko, Oleg
Journal of publication	Arabian Journal of Chemistry
Year of publication	2020
Journal volume	13
Journal issue	1
Pages of publication	3060 - 3069
a	8.9945 ± 0.0004 Å
b	9.6067 ± 0.0003 Å
c	15.7357 ± 0.0008 Å
α	90°
β	91.46 ± 0.004°
γ	90°
Cell volume	1359.24 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1651
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	0.949
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
272211 (current)	2022-01-24	cif/ Adding structures of 1566110 via cif-deposit CGI script.	1566110.cif