Crystallography Open Database

Information card for entry 4081767

Preview

Coordinates	4081767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 Al B Cl6 N
Calculated formula	C13 H9 Al B Cl6 N
SMILES	[Cl-][Al](Cl)(Cl)Cl.ClB(Cl)[n]1c2ccccc2cc2ccccc12
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	8.6756 ± 0.0005 Å
b	9.4614 ± 0.0005 Å
c	12.0129 ± 0.0006 Å
α	83.265 ± 0.004°
β	89.721 ± 0.004°
γ	65.574 ± 0.004°
Cell volume	890.57 ± 0.09 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	0.0473
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4081767.cif
91759	2013-12-13	cif/ Adding structures of 4081765, 4081766, 4081767, 4081768, 4081769 via cif-deposit CGI script.	4081767.cif