Crystallography Open Database

Information card for entry 4112515

Preview

Coordinates	4112515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C Cl3 F30 O6 Sb Te6
Calculated formula	C Cl3 F30 O6 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	8.7059 ± 0.0019 Å
b	9.181 ± 0.002 Å
c	9.862 ± 0.002 Å
α	104.111 ± 0.005°
β	103.507 ± 0.005°
γ	98.851 ± 0.005°
Cell volume	724.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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.	4112515.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112515.cif
64907	2012-08-30	cif/ Adding structures of 4112515 via cif-deposit CGI script.	4112515.cif