Crystallography Open Database

Information card for entry 7053403

Preview

Coordinates	7053403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 F6 N2 P
Calculated formula	C13 H19 F6 N2 P
SMILES	C1(=[N+](CCN1C)CCC)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Amidinium based ionic liquids
Authors of publication	Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	6
Pages of publication	1184
a	15.8396 ± 0.0012 Å
b	7.3779 ± 0.0006 Å
c	26.074 ± 0.002 Å
α	90°
β	92.798 ± 0.002°
γ	90°
Cell volume	3043.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1585
Weighted residual factors for all reflections included in the refinement	0.1791
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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