Crystallography Open Database

Information card for entry 7228099

Preview

Coordinates	7228099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H22 Cr K N2 O12
Calculated formula	C10 H22 Cr K N2 O12
SMILES	[K+].[O]=CO[Cr](OC=O)(OC=O)(OC=O)(OC=O)OC=O.[NH3+]CC.[NH3+]CC
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	8.0147 ± 0.0002 Å
b	9.8547 ± 0.0003 Å
c	12.3886 ± 0.0003 Å
α	90°
β	90.052 ± 0.003°
γ	90°
Cell volume	978.48 ± 0.05 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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	0.0619
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7228099.cif