Crystallography Open Database

Information card for entry 7117737

Preview

Coordinates	7117737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H16 B11 Cl10 F3 O3 S Si
Calculated formula	C8 H16 B11 Cl10 F3 O3 S Si
Title of publication	Triflyloxy-substituted carboranes as useful weakly coordinating anions
Authors of publication	Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	14034
a	16.213 ± 0.005 Å
b	21.072 ± 0.007 Å
c	17.832 ± 0.006 Å
α	90°
β	102.362 ± 0.004°
γ	90°
Cell volume	5951 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0834
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1599
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7117737.cif
153893	2015-09-02	cif/ Adding structures of 7117735, 7117736, 7117737, 7117738, 7117739, 7117740, 7117741, 7117742, 7117743, 7117744 via cif-deposit CGI script.	7117737.cif