Crystallography Open Database

Information card for entry 1506407

Preview

Coordinates	1506407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H30 F6 Li2 N2 O6 S2
Calculated formula	C14 H30 F6 Li2 N2 O6 S2
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	8.6035 ± 0.0019 Å
b	10.008 ± 0.002 Å
c	28.521 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2455.8 ± 0.9 Å³
Cell temperature	86 ± 2 K
Ambient diffraction temperature	86 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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.	1506407.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506407.cif
50288	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506407 via cif-deposit CGI script.	1506407.cif