Crystallography Open Database

Information card for entry 8104653

Preview

Coordinates	8104653.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-(2-ethoxy-2-oxoethyl)-1-ethyl-1H-imidazol-3-ium hexafluoridophos-phate(V)
Formula	C9 H15 F6 N2 O2 P
Calculated formula	C9 H15 F6 N2 O2 P
Title of publication	Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-ethyl-1H-imidazol-3-ium hexafluoridophos-phate(V), C9H15F6N2O2P
Authors of publication	Yuan, Kun; Xiong, Wan-Ming; Nie, Xu-Liang; Peng, Da-Yong; Chen, Jing
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	5
Pages of publication	1015 - 1017
a	8.3781 ± 0.0015 Å
b	13.97 ± 0.003 Å
c	12.904 ± 0.002 Å
α	90°
β	104.5 ± 0.002°
γ	90°
Cell volume	1462.2 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0863
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1713
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
273481 (current)	2022-03-07	cif/ Adding structures of 8104653 via cif-deposit CGI script.	8104653.cif