Crystallography Open Database

Information card for entry 7712586

Preview

Coordinates	7712586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H17 Al Cl2 F60 O4
Calculated formula	C60 H17 Al Cl2 F60 O4
Title of publication	The Perfluoroadamantoxy Aluminate as an Ideal Weakly Coordinating Anion? – Synthesis and first Applications.
Authors of publication	Billion, Andreas; Schorpp, Marcel; Feser, Rebecca; Schmitt, Manuel; Eisele, Lea; Scherer, Harald; Sonoda, Takaaki; Kawa, Hajimu; Butschke, Burkhard; Krossing, Ingo
Journal of publication	Dalton Transactions
Year of publication	2023
a	12.724 ± 0.009 Å
b	22.259 ± 0.017 Å
c	23.784 ± 0.018 Å
α	90°
β	101.54 ± 0.02°
γ	90°
Cell volume	6600 ± 9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
281819 (current)	2023-03-11	cif/ Adding structures of 7712583, 7712584, 7712585, 7712586 via cif-deposit CGI script.	7712586.cif