Crystallography Open Database

Information card for entry 4112514

Preview

Coordinates	4112514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C Cl3 F48 O15 S3 Sb Te9
Calculated formula	C Cl3 F48 O15 S3 Sb Te9
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	10.082 ± 0.004 Å
b	10.95 ± 0.004 Å
c	24.572 ± 0.01 Å
α	83.482 ± 0.008°
β	81.679 ± 0.007°
γ	70.019 ± 0.007°
Cell volume	2516.6 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1653
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	0.878
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.	4112514.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112514.cif
64906	2012-08-30	cif/ Adding structures of 4112514 via cif-deposit CGI script.	4112514.cif