Crystallography Open Database

Information card for entry 8107403

Preview

Coordinates	8107403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 F6 N2 P
Calculated formula	C10 H12 F6 N2 P
Title of publication	Crystal structure of 3,3′-(1,4-phenylenebis(methylene))bis(1-allyl-1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C10H12F6N2P
Authors of publication	Yuan, Kun; Wu, Su-Qin; Nie, Xu-Liang; Xiong, Wan-Ming; Chen, Jing
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	2
Pages of publication	231 - 233
a	8.9854 ± 0.0003 Å
b	9.1004 ± 0.0003 Å
c	9.2312 ± 0.0003 Å
α	66.667 ± 0.003°
β	74.875 ± 0.003°
γ	74.024 ± 0.003°
Cell volume	656.4 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284510 (current)	2023-06-20	cif/ Adding structures of 8107403 via cif-deposit CGI script.	8107403.cif