Crystallography Open Database

Information card for entry 7228098

Preview

Coordinates	7228098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H11 Cr0.5 K0.5 N O6
Calculated formula	C5 H11 Cr0.5 K0.5 N O6
Title of publication	Effect of K+ cations on phase transitions, structural, dielectric and luminescent properties of [cat][K0.5Cr0.5(HCOO)3], where cat is protonated dimethylamine or ethylamine
Authors of publication	Ptak, Maciej; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław Jacek; Ciupa, Aneta; Trzebiatowska, Monika; Maczka, Miroslaw
Journal of publication	Phys. Chem. Chem. Phys.
Year of publication	2017
a	8.559 ± 0.008 Å
b	8.602 ± 0.007 Å
c	9.156 ± 0.007 Å
α	63.07 ± 0.1°
β	63.19 ± 0.1°
γ	61.08 ± 0.1°
Cell volume	502.3 ± 0.9 Å³
Cell temperature	79.9 ± 0.4 K
Ambient diffraction temperature	79.9 ± 0.4 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1912
Residual factor for significantly intense reflections	0.1259
Weighted residual factors for significantly intense reflections	0.3297
Weighted residual factors for all reflections included in the refinement	0.4003
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
195650 (current)	2017-04-21	cif/ Adding structures of 7228097, 7228098, 7228099 via cif-deposit CGI script.	7228098.cif