Crystallography Open Database

Information card for entry 7212785

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Structure parameters

Common name	1,3-dihexyl-benzimidazolium hexaflorophosphate
Formula	C19 H31 F6 N2 P
Calculated formula	C19 H31 F6 N2 P
Title of publication	N,N′-Dihexylbenzimidazolium salts. Anion-controlled bilayer structures viaπ–π dimer or C–H⋯π catemer motifs
Authors of publication	Lee, Kwang-Ming; Lee, Ching-Kuan; Lin, Ivan J. B.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	12
Pages of publication	4347
a	8.5636 ± 0.0015 Å
b	9.392 ± 0.006 Å
c	28.1899 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2267.3 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1643
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.1889
Weighted residual factors for all reflections included in the refinement	0.247
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7212785.cif
180458	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/27.	7212785.cif
93278	2014-01-12	cif/ Adding structures of 7212785, 7212786, 7212787 via cif-deposit CGI script.	7212785.cif