Crystallography Open Database

Information card for entry 4081766

Preview

Coordinates	4081766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Al Cl4 N S
Calculated formula	C16 H10 Al Cl4 N S
Title of publication	[(acridine)BCl2]+: A Borenium Cation That Is a Strong Boron- and Carbon-Based Lewis Acid
Authors of publication	Clark, Ewan R.; Ingleson, Michael J.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	22
Pages of publication	6712
a	8.4674 ± 0.0004 Å
b	12.0859 ± 0.0011 Å
c	17.607 ± 0.002 Å
α	90°
β	92.417 ± 0.006°
γ	90°
Cell volume	1800.2 ± 0.3 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 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	0.1648
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.1919
Weighted residual factors for all reflections included in the refinement	0.2437
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178706 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/17.	4081766.cif
91759	2013-12-13	cif/ Adding structures of 4081765, 4081766, 4081767, 4081768, 4081769 via cif-deposit CGI script.	4081766.cif