Crystallography Open Database

Information card for entry 7116853

Preview

Coordinates	7116853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H15 B F15 O Sb
Calculated formula	C36 H15 B F15 O Sb
SMILES	c1(c(c(c(c(c1F)F)F)F)F)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[O]=[Sb](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Lewis-acid induced disaggregation of dimeric arylantimony oxides
Authors of publication	Ralf Kather; Tomas Svoboda; Maren Wehrhahn; Elena Rychagova; Enno Lork; Libor Dostal; Sergey Ketkov; Jens Beckmann
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	5932
a	12.248 ± 0.002 Å
b	17.312 ± 0.004 Å
c	15.058 ± 0.004 Å
α	90°
β	95.34 ± 0.01°
γ	90°
Cell volume	3179 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0481
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0956
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
180282 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/68.	7116853.cif
134266	2015-03-23	cif/ Adding structures of 7116852, 7116853, 7116854 via cif-deposit CGI script.	7116853.cif