Crystallography Open Database

Information card for entry 2312746

Preview

Coordinates	2312746.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Benzoacylium undecafluorodiarsenate
Formula	C7 H5 As2 F11 O
Calculated formula	C7 H5 As2 F11 O
Title of publication	Structural investigations of the benzoyl fluoride and the benzoacyl cation of low-melting compounds and reactive intermediates.
Authors of publication	Bockmair, Valentin; Regnat, Martin; Tran, Huu Khanh Trinh; Kornath, Andreas J.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2025
Journal volume	81
Journal issue	2
a	10.6376 ± 0.0009 Å
b	9.9099 ± 0.0007 Å
c	13.0019 ± 0.0009 Å
α	90°
β	101.806 ± 0.008°
γ	90°
Cell volume	1341.63 ± 0.18 Å³
Cell temperature	112 ± 2 K
Ambient diffraction temperature	112 ± 2 K
Number of distinct elements	5
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	0.0496
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
297469 (current)	2025-01-25	cif/ Adding structures of 2312746, 2312747 via cif-deposit CGI script.	2312746.cif