Crystallography Open Database

Information card for entry 4344712

Preview

Coordinates	4344712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 Al Cl12 F24 Li O4
Calculated formula	C16 Al Cl12 F24 Li O4
SMILES	[Al]12([O](C(C3(Cl)Cl)(C(F)(F)F)C(F)(F)F)[Li]45([Cl]3)([O]2[C@](C([Cl]5)(Cl)Cl)(C([F]4)(F)F)C(F)(F)F)[F]C(F)(F)[C@@](O1)(C(Cl)(Cl)Cl)C(F)(F)F)OC(C(Cl)(Cl)Cl)(C(F)(F)F)C(F)(F)F
Title of publication	An Aliphatic Solvent-Soluble Lithium Salt of the Perhalogenated Weakly Coordinating Anion [Al(OC(CCl3)(CF3)2)4](.).
Authors of publication	Zheng, Xin; Zhang, Zaichao; Tan, Gengwen; Wang, Xinping
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	3
Pages of publication	1008 - 1010
a	10.709 ± 0.003 Å
b	13.59 ± 0.003 Å
c	11.786 ± 0.003 Å
α	90°
β	92.665 ± 0.003°
γ	90°
Cell volume	1713.4 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1998
Weighted residual factors for all reflections included in the refinement	0.2294
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
175582 (current)	2016-02-04	cif/ Adding structures of 4344712, 4344713, 4344714 via cif-deposit CGI script.	4344712.cif