Crystallography Open Database

Information card for entry 1552374

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Coordinates	1552374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 Al F36 O4 Tl
Calculated formula	C16 Al F36 O4 Tl
Title of publication	First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase
Authors of publication	Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo
Journal of publication	Chemical Science
Year of publication	2019
a	9.6336 ± 0.0002 Å
b	10.4764 ± 0.0003 Å
c	16.8374 ± 0.0004 Å
α	81.433 ± 0.002°
β	73.486 ± 0.001°
γ	63.371 ± 0.001°
Cell volume	1455.95 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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