Crystallography Open Database

Information card for entry 1502687

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Structure parameters

Formula	C16 H28 F12 N4 P2
Calculated formula	C16 H28 F12 N4 P2
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	6.5214 ± 0.0003 Å
b	6.9156 ± 0.0003 Å
c	13.8874 ± 0.0007 Å
α	97.336 ± 0.004°
β	97.674 ± 0.004°
γ	99.448 ± 0.004°
Cell volume	605.07 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1269
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation probe	x-ray
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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1502687.cif
176729	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.	1502687.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502687.cif
36641	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502687 via cif-deposit CGI script.	1502687.cif