Crystallography Open Database

Information card for entry 7721076

Preview

Coordinates	7721076.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cis-1-methyl-10-(perfluorophenyl)-5-phenyl-5,10-dihydrobenzo[d]imidazo [1,2-a][1,3]azaborinin-1-ium-10-uide
Chemical name	cis-1-methyl-10-(perfluorophenyl)-5-phenyl-5,10-dihydrobenzo[d]imidazo [1,2-a][1,3]azaborinin-1-ium-10-uide
Formula	C23 H16 B F5 N2
Calculated formula	C23 H16 B F5 N2
Title of publication	Accessing chiral NHC-boranes by abstraction of C6F5 from the B(C6F5)4− weakly coordinating anion
Authors of publication	Niessen, Nicolas; Adjieufack, Abel Idrice; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Berionni, Guillaume; Bijouard, Kajetan
Journal of publication	Dalton Transactions
Year of publication	2026
a	10.8466 ± 0.0001 Å
b	12.4844 ± 0.0002 Å
c	15.0059 ± 0.0002 Å
α	90°
β	106.481 ± 0.001°
γ	90°
Cell volume	1948.51 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0357
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
306181 (current)	2026-06-03	cif/ Adding structures of 7721073, 7721074, 7721075, 7721076 via cif-deposit CGI script.	7721076.cif