Crystallography Open Database

Information card for entry 7126959

Preview

Coordinates	7126959.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[C10Br10][As2F11]2
Formula	C10 As4 Br10 Cl4 F26 O8 S4
Calculated formula	C10 As4 Br10 Cl4 F26 O8 S4
Title of publication	The [2+2] cycloaddition product of perhalogenated cyclopentadienyl cations: structural characterization of salts of the [C<sub>10</sub>Cl<sub>10</sub>]<sup>2+</sup> and [C<sub>10</sub>Br<sub>10</sub>]<sup>2+</sup> dications.
Authors of publication	Rupf, Susanne Margot; Pröhm, Patrick; Malischewski, Moritz
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	68
Pages of publication	9834 - 9837
a	8.8126 ± 0.0005 Å
b	11.9355 ± 0.0008 Å
c	12.5355 ± 0.0008 Å
α	68.761 ± 0.002°
β	74.151 ± 0.002°
γ	75.96 ± 0.002°
Cell volume	1166.97 ± 0.13 Å³
Cell temperature	100.09 K
Ambient diffraction temperature	100.09 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation probe	x-ray
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
256016 (current)	2020-09-06	cif/ Updating files of 7126959, 7126960, 7126961, 7126962 Original log message: Adding full bibliography for 7126959--7126962.cif.	7126959.cif
254526	2020-07-24	cif/ Adding structures of 7126959, 7126960, 7126961, 7126962 via cif-deposit CGI script.	7126959.cif