Crystallography Open Database

Information card for entry 7126363

Preview

Coordinates	7126363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.63 H55.12 B2 N5
Calculated formula	C60.6328 H55.1216 B2 N5
Title of publication	Synthesis of polyheterocyclic 1,1-diboryltriazenes by γ-nitrogen insertion of azides into activated B-B single bonds.
Authors of publication	Prieschl, Dominic; Arrowsmith, Merle; Dietz, Maximilian; Rempel, Anna; Müller, Marcel; Braunschweig, Holger
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	42
Pages of publication	5681 - 5684
a	16.155 ± 0.004 Å
b	17.629 ± 0.003 Å
c	18.2 ± 0.004 Å
α	76.749 ± 0.008°
β	76.424 ± 0.009°
γ	74.29 ± 0.02°
Cell volume	4773.6 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252707 (current)	2020-06-05	cif/ Updating files of 7126363, 7126364, 7126365, 7126366, 7126367 Original log message: Adding full bibliography for 7126363--7126367.cif.	7126363.cif
250738	2020-04-14	cif/ Adding structures of 7126363 via cif-deposit CGI script.	7126363.cif