Crystallography Open Database

Information card for entry 4088116

Preview

Coordinates	4088116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H8 Al B Cl5 N
Calculated formula	C11 H8 Al B Cl5 N
SMILES	ClB1c2c(c3[n+]1cccc3)cccc2.Cl[Al](Cl)(Cl)[Cl-]
Title of publication	Facile Arylation of Four-Coordinate Boron Halides by Borenium Cation Mediated Boro-desilylation and -destannylation.
Authors of publication	Crossley, Daniel L.; Cid, Jessica; Curless, Liam D.; Turner, Michael L.; Ingleson, Michael J.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	24
Pages of publication	5767 - 5774
a	7.8789 ± 0.0004 Å
b	14.6037 ± 0.001 Å
c	13.5927 ± 0.0009 Å
α	90°
β	98.563 ± 0.005°
γ	90°
Cell volume	1546.56 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2033
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1453
Weighted residual factors for all reflections included in the refinement	0.2019
Goodness-of-fit parameter for all reflections included in the refinement	0.868
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
237289 (current)	2019-11-24	cif/ Adding structures of 4088116 via cif-deposit CGI script.	4088116.cif