Crystallography Open Database

Information card for entry 7721074

Preview

Coordinates	7721074.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[N-benzhydryl-N'-methyl-imidazol-2-ylidene](dihydrydo)(pentafluorophenyl)borane
Chemical name	[N-benzhydryl-N'-methyl-imidazol-2-ylidene](dihydrydo)(pentafluorophenyl)borane
Formula	C23 H18 B F5 N2
Calculated formula	C23 H18 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	7.2934 ± 0.0001 Å
b	12.2741 ± 0.0002 Å
c	13.0135 ± 0.0002 Å
α	117.663 ± 0.001°
β	93.356 ± 0.001°
γ	90.741 ± 0.001°
Cell volume	1028.97 ± 0.03 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	7721074.cif