Crystallography Open Database

Information card for entry 8104762

Preview

Coordinates	8104762.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3,3'-(1,2-phenylenebis(methylene))bis(1-Ethyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V)
Formula	C18 H24 F12 N4 P2
Calculated formula	C18 H24 F12 N4 P2
Title of publication	Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-ethyl-1H-imidazol-3-ium) bis(hexafluorophosphate), C18H24F12N4P2
Authors of publication	Zhao, Wen; Liu, Xin-Ting; Wu, Su-Qin; Xiong, Wan-Ming; Nie, Xu-Liang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	3
Pages of publication	545 - 547
a	7.0474 ± 0.0007 Å
b	12.7519 ± 0.0012 Å
c	28.194 ± 0.003 Å
α	90°
β	93.984 ± 0.002°
γ	90°
Cell volume	2527.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1291
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
273722 (current)	2022-03-16	cif/ Adding structures of 8104762 via cif-deposit CGI script.	8104762.cif