Crystallography Open Database

Information card for entry 7129856

Preview

Coordinates	7129856.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1-azido-2,3,4,5-tetraphenylborole pyridine adduct
Formula	C33 H25 B Cl0.03 N3.92
Calculated formula	C33 H25 B Cl0.028 N3.916
Title of publication	Azidoborolate anions and azidoborole adducts: isolable forms of an unstable borole azide
Authors of publication	Lindl, Felix Dr.; Fantuzzi, Felipe; Mailänder, Lisa; Hörl, Christian; Bélanger-Chabot, Guillaume; Braunschweig, Holger
Journal of publication	Chemical Communications
Year of publication	2022
a	10.1028 ± 0.0004 Å
b	10.3516 ± 0.0004 Å
c	14.1317 ± 0.0003 Å
α	76.623 ± 0.003°
β	78.356 ± 0.003°
γ	64.759 ± 0.004°
Cell volume	1291.55 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0461
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
273740 (current)	2022-03-17	cif/ Adding structures of 7129856, 7129857, 7129858, 7129859, 7129860, 7129861 via cif-deposit CGI script.	7129856.cif