Crystallography Open Database

Information card for entry 1502686

Preview

Coordinates	1502686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 F12 N4 P2
Calculated formula	C10 H16 F12 N4 P2
SMILES	[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].n1(c[n+](C)cc1)CCn1c[n+](cc1)C
Title of publication	Structure and properties of N,N-alkylene bis(N'-alkylimidazolium) salts.
Authors of publication	Lee, Minjae; Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W.
Journal of publication	The journal of physical chemistry. B
Year of publication	2010
Journal volume	114
Journal issue	21
Pages of publication	7312 - 7319
a	22.186 ± 0.003 Å
b	6.4852 ± 0.0003 Å
c	14.4065 ± 0.0013 Å
α	90°
β	122.621 ± 0.015°
γ	90°
Cell volume	1745.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1502686.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502686.cif
36640	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502686 via cif-deposit CGI script.	1502686.cif