Crystallography Open Database

Information card for entry 1565659

Preview

Coordinates	1565659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 Cl4 Cu N2
Calculated formula	C9 H12 Cl4 Cu N2
SMILES	[Cu](Cl)(Cl)(Cl)[n]1c(Cl)c(cc([NH+]=C(C)C)c1)C
Title of publication	Syntheses, structures and properties of copper(II) and cobalt(II) complexes with 5(3)-amino-2-chloro-3(5)-methylpyridine isomer cations
Authors of publication	Shakirova, Olga; Protsenko, Alexandra; Protsenko, Alexander; Kuratieva, Natalia; Fowles, Samantha; Turnbull, Mark M.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	500
Pages of publication	119246
a	8.732 ± 0.003 Å
b	9.132 ± 0.003 Å
c	9.792 ± 0.003 Å
α	105.909 ± 0.009°
β	102.298 ± 0.009°
γ	111.663 ± 0.01°
Cell volume	653.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0261
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0571
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
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
271325 (current)	2021-12-10	cif/ Adding structures of 1565656, 1565657, 1565658, 1565659, 1565660 via cif-deposit CGI script.	1565659.cif