Crystallography Open Database

Information card for entry 4344714

Preview

Coordinates	4344714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H15 Al Cl12 F24 O4
Calculated formula	C35 H15 Al Cl12 F24 O4
SMILES	[Al](OC(C(F)(F)F)(C(F)(F)F)C(Cl)(Cl)Cl)(OC(C(F)(F)F)(C(Cl)(Cl)Cl)C(F)(F)F)(OC(C(Cl)(Cl)Cl)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(Cl)(Cl)Cl)C(F)(F)F.c1([C+](c2ccccc2)c2ccccc2)ccccc1
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	12.1349 ± 0.0016 Å
b	12.8478 ± 0.0017 Å
c	16.5531 ± 0.0012 Å
α	91.786 ± 0.002°
β	92.263 ± 0.003°
γ	108.141 ± 0.002°
Cell volume	2448 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	4344714.cif