Crystallography Open Database

Information card for entry 7053402

Preview

Coordinates	7053402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 Cl2 N4 O4
Calculated formula	C16 H32 Cl2 N4 O4
SMILES	C1(c2ccc(C3N(CCC[NH+]=3)C)cc2)N(CCC[NH+]=1)C.O.O.[Cl-].O.O.[Cl-]
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	9.804 ± 0.0003 Å
b	9.3589 ± 0.0002 Å
c	11.3818 ± 0.0003 Å
α	90°
β	95.559 ± 0.001°
γ	90°
Cell volume	1039.42 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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