Crystallography Open Database

Information card for entry 4513355

Preview

Coordinates	4513355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 Cl N2 O0.5
Calculated formula	C14 H27 Cl N2 O0.5
Title of publication	Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures
Authors of publication	Saouane, Sofiane; Fabbiani, Francesca P. A.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	8
Pages of publication	3875
a	7.3494 ± 0.0005 Å
b	8.4551 ± 0.0005 Å
c	42.735 ± 0.007 Å
α	83.125 ± 0.009°
β	89 ± 0.009°
γ	69.871 ± 0.004°
Cell volume	2474.6 ± 0.5 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	0.0939
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1771
Weighted residual factors for all reflections included in the refinement	0.206
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	4513355.cif
154573	2015-09-05	cif/ Updating files of 4513351, 4513352, 4513353, 4513354, 4513355, 4513356, 4513357, 4513358 Original log message: Adding full bibliography for 4513351--4513358.cif.	4513355.cif
139800	2015-07-01	cif/ Adding structures of 4513351, 4513352, 4513353, 4513354, 4513355, 4513356, 4513357, 4513358 via cif-deposit CGI script.	4513355.cif