Crystallography Open Database

Information card for entry 7228097

Preview

Coordinates	7228097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H22 Cr K N2 O12
Calculated formula	C9.9996 H21.9984 Cr K N1.9998 O12
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	8.5676 ± 0.0002 Å
b	8.5676 ± 0.0002 Å
c	23.7293 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	1508.46 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
195650 (current)	2017-04-21	cif/ Adding structures of 7228097, 7228098, 7228099 via cif-deposit CGI script.	7228097.cif