Crystallography Open Database

Information card for entry 2312734

Preview

Coordinates	2312734.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Hemi{[1,4-dimethoxy-4-oxidaniumylidenebut-2-en-1-ylidene]oxidanium} undecafluorodiarsenate
Formula	C3 H5 F11 O2 Sb2
Calculated formula	C3 H5 F11 O2 Sb2
Title of publication	The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.
Authors of publication	Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2025
Journal volume	81
Journal issue	1
a	7.8461 ± 0.0006 Å
b	15.1531 ± 0.0011 Å
c	19.5536 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2324.8 ± 0.3 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
296811 (current)	2024-12-10	cif/ Adding structures of 2312730, 2312731, 2312732, 2312733, 2312734 via cif-deposit CGI script.	2312734.cif