Crystallography Open Database

Information card for entry 4116383

Preview

Coordinates	4116383.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Trichloroniumhexafluoroantimonate
Formula	Cl3 F6 Sb
Calculated formula	Cl3 F6 Sb
SMILES	[F-][Sb](F)(F)(F)(F)F.[Cl+](Cl)Cl
Title of publication	The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-
Authors of publication	Thomas Drews; Wolfram Koch; Konrad Seppelt
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	4379 - 4384
a	10.553 ± 0.002 Å
b	11.361 ± 0.003 Å
c	12.081 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1448.4 ± 0.6 Å³
Cell temperature	130 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.022
Residual factor for significantly intense reflections	0.0189
Weighted residual factors for significantly intense reflections	0.0461
Weighted residual factors for all reflections included in the refinement	0.0489
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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