Crystallography Open Database

Information card for entry 4112513

Preview

Coordinates	4112513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C Br3 Cl F31 O8 S Sb Te6
Calculated formula	C Br3 Cl F31 O8 S Sb Te6
Title of publication	The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5)
Authors of publication	Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	5533 - 5548
a	18.617 ± 0.006 Å
b	9.935 ± 0.003 Å
c	19.129 ± 0.007 Å
α	90°
β	90.781 ± 0.007°
γ	90°
Cell volume	3538 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1229
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
178896 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/25.	4112513.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112513.cif
64905	2012-08-30	cif/ Adding structures of 4112513 via cif-deposit CGI script.	4112513.cif