Crystallography Open Database

Information card for entry 8104560

Preview

Coordinates	8104560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H22 F12 N4 P2
Calculated formula	C13 H22 F12 N4 P2
Title of publication	Crystal structure of 1,1′-(methane-1,1-diyl)bis(3-propyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C13H22F12N4P2
Authors of publication	Liu, Xin-Ting; Nie, Xu-Liang; Chen, Shi-Shun; Wu, Su-Qin; Xiong, Wan-Ming
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	6
Pages of publication	1179 - 1182
a	25.252 ± 0.003 Å
b	8.3297 ± 0.0009 Å
c	23.268 ± 0.002 Å
α	90°
β	116.271 ± 0.001°
γ	90°
Cell volume	4388.7 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1032
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1859
Weighted residual factors for all reflections included in the refinement	0.2191
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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