Crystallography Open Database

Information card for entry 7116852

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Structure parameters

Formula	C36 H15 As B F15 O
Calculated formula	C36 H15 As B F15 O
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]=[As](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	13.134 ± 0.002 Å
b	16.309 ± 0.005 Å
c	14.601 ± 0.002 Å
α	90°
β	96.167 ± 0.011°
γ	90°
Cell volume	3109.5 ± 1.1 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 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	0.0717
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7116852.cif
180282	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.	7116852.cif
134266	2015-03-23	cif/ Adding structures of 7116852, 7116853, 7116854 via cif-deposit CGI script.	7116852.cif