Crystallography Open Database

Information card for entry 2312692

Preview

Coordinates	2312692.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(1,2-Dichloro-2-oxoethylidene)oxidanium hexafluoridoantimonate(V)
Formula	C2 H Cl2 F6 O2 Sb
Calculated formula	C2 H Cl2 F6 O2 Sb
SMILES	[Sb](F)(F)(F)(F)(F)[F-].ClC(=[OH+])C(=O)Cl
Title of publication	Protonated oxalyl chloride and the ClCO<sup>+</sup> cation.
Authors of publication	Steiner, Sebastian; Djordjevic, Kristina; Bockmair, Valentin; Hollenwäger, Dirk; Kornath, Andreas J.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	12
a	6.1616 ± 0.0008 Å
b	10.8379 ± 0.001 Å
c	6.8805 ± 0.0008 Å
α	90°
β	106.472 ± 0.013°
γ	90°
Cell volume	440.61 ± 0.09 Å³
Cell temperature	106 ± 2 K
Ambient diffraction temperature	106 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0537
Weighted residual factors for all reflections included in the refinement	0.057
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
296043 (current)	2024-11-21	cif/ Adding structures of 2312692, 2312693 via cif-deposit CGI script.	2312692.cif