Crystallography Open Database

Information card for entry 7133291

Preview

Coordinates	7133291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H56 B N5 O
Calculated formula	C36 H56 B N5 O
Title of publication	Transition-metal-like coordination chemistry of dicoordinate borylenes with organic azides.
Authors of publication	Witte, Robert; Kar, Sourav; Radacki, Krzysztof; Härterich, Marcel; Rang, Maximilian; Michel, Maximilian; Mihm, Cornelius; Czernetzki, Corinna; Brückner, Tobias; Beck, Eva; Lutz, Sarah; Dewhurst, Rian D.; Braunschweig, Holger
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	65
Pages of publication	8629 - 8632
a	10.1623 ± 0.0001 Å
b	10.4669 ± 0.0001 Å
c	17.7919 ± 0.0003 Å
α	80.944 ± 0.001°
β	74.936 ± 0.001°
γ	71.058 ± 0.001°
Cell volume	1722.96 ± 0.04 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	0.0709
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.202
Weighted residual factors for all reflections included in the refinement	0.2075
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294453 (current)	2024-09-06	cif/ Updating files of 7133290, 7133291, 7133292, 7133293, 7133294, 7133295, 7133296 Original log message: Adding full bibliography for 7133290--7133296.cif.	7133291.cif
293336	2024-07-10	cif/ Adding structures of 7133290, 7133291, 7133292, 7133293, 7133294, 7133295, 7133296 via cif-deposit CGI script.	7133291.cif