Crystallography Open Database

Information card for entry 7113534

Preview

Coordinates	7113534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 F6 N2 P
Calculated formula	C8 H12 F6 N2 P
Title of publication	Liquid clathrate formation in ionic liquid‒aromatic mixtures
Authors of publication	Holbrey, John D.; Reichert, W. Matthew; Nieuwenhuyzen, Mark; Sheppard, Oonagh; Hardacre, Christopher; Rogers, Robin D.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	4
Pages of publication	476 - 477
a	6.3616 ± 0.0008 Å
b	11.7383 ± 0.0014 Å
c	15.9061 ± 0.0019 Å
α	90°
β	98.002 ± 0.002°
γ	90°
Cell volume	1176.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.6867 Å
Diffraction radiation type	Synchrotron
Duplicate of	7103989
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209744 (current)	2018-08-16	cif/7/ Updating bibliography in entries 7103987-7103989, 7113532-7113534. Marking entries 7113532-7113534 as duplicates of entries 7103987-7103989.	7113534.cif
180249	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35.	7113534.cif
115115	2014-06-02	cif/ Adding structures of 7113532, 7113533, 7113534 via cif-deposit CGI script.	7113534.cif