Crystallography Open Database

Information card for entry 8104678

Preview

Coordinates	8104678.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1'-(butane-1,4-diyl)bis(3-propyl-1H- imidazol-3-ium) bis(hexafluoridophosphate)
Formula	C32 H56 F24 N8 P4
Calculated formula	C32 H56 F24 N8 P4
Title of publication	Crystal structure of 1,1′-(butane-1,4-diyl)bis(3-propyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C32H56F24N8P4
Authors of publication	Zhou, Yao-Hong; Nie, Xu-Liang; Xiong, Wan-Ming; Peng, Da-Yong; Zhang, Xiao-Hua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	5
Pages of publication	1105 - 1107
a	8.6769 ± 0.0013 Å
b	9.8858 ± 0.0014 Å
c	14.51 ± 0.002 Å
α	81.71 ± 0.002°
β	89.406 ± 0.002°
γ	89.446 ± 0.002°
Cell volume	1231.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1696
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1713
Weighted residual factors for all reflections included in the refinement	0.2245
Goodness-of-fit parameter for all reflections included in the refinement	0.95
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
273521 (current)	2022-03-08	cif/ Adding structures of 8104678 via cif-deposit CGI script.	8104678.cif