Crystallography Open Database

Information card for entry 7225211

Preview

Coordinates	7225211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H36 F6 N2 O4 S2
Calculated formula	C18 H36 F6 N2 O4 S2
Title of publication	Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.
Authors of publication	Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2016
Journal volume	18
Journal issue	21
Pages of publication	14359 - 14369
a	13.312 ± 0.006 Å
b	28.997 ± 0.013 Å
c	13.523 ± 0.006 Å
α	90°
β	94.059 ± 0.009°
γ	90°
Cell volume	5207 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1276
Residual factor for significantly intense reflections	0.0947
Weighted residual factors for significantly intense reflections	0.1823
Weighted residual factors for all reflections included in the refinement	0.2122
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
183793 (current)	2016-06-18	cif/ Updating files of 7225209, 7225210, 7225211 Original log message: Adding full bibliography for 7225209--7225211.cif.	7225211.cif
182900	2016-05-12	cif/ Adding structures of 7225209, 7225210, 7225211 via cif-deposit CGI script.	7225211.cif