Crystallography Open Database

Information card for entry 2312693

Preview

Coordinates	2312693.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Carbonyl chloride hexadecafluoridotriarsenate(V)
Formula	C Cl F16 O Sb3
Calculated formula	C Cl F16 O Sb3
SMILES	[Sb]([F][Sb](F)(F)(F)(F)F)([F][Sb](F)(F)(F)(F)F)(F)(F)(F)F.ClC#[O+]
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	8.0824 ± 0.0003 Å
b	8.0824 ± 0.0003 Å
c	18.3341 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	1037.22 ± 0.07 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 2 K
Number of distinct elements	5
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
296043 (current)	2024-11-21	cif/ Adding structures of 2312692, 2312693 via cif-deposit CGI script.	2312693.cif