Crystallography Open Database

Information card for entry 1506406

Preview

Coordinates	1506406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H15 F3 Li N O3 S
Calculated formula	C7 H15 F3 Li N O3 S
Title of publication	Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine).
Authors of publication	Rocher, Nathalie M.; Frech, Roger; Khan, Masood
Journal of publication	The journal of physical chemistry. B
Year of publication	2005
Journal volume	109
Journal issue	44
Pages of publication	20697 - 20706
a	5.1842 ± 0.0004 Å
b	15.379 ± 0.0013 Å
c	15.8877 ± 0.0013 Å
α	90°
β	98.11 ± 0.001°
γ	90°
Cell volume	1254.02 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1008
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.2526
Weighted residual factors for all reflections included in the refinement	0.2676
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506406.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506406.cif
50287	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506406 via cif-deposit CGI script.	1506406.cif