Crystallography Open Database

Information card for entry 7134238

Preview

Coordinates	7134238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H80 Al B N P
Calculated formula	C58 H80 Al B N P
Title of publication	A BNAlP-heterocycle.
Authors of publication	Wellnitz, Tim; Wüst, Leonie; Braunschweig, Holger; Hering-Junghans, Christian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	20
Pages of publication	4014 - 4017
a	10.1884 ± 0.0001 Å
b	13.0766 ± 0.0001 Å
c	21.5233 ± 0.0002 Å
α	73.285 ± 0.001°
β	82.107 ± 0.001°
γ	75.427 ± 0.001°
Cell volume	2651.49 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.1711
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298770 (current)	2025-04-05	cif/ Updating files of 7134237, 7134238, 7134239 Original log message: Adding full bibliography for 7134237--7134239.cif.	7134238.cif
297602	2025-02-06	cif/ Adding structures of 7134237, 7134238, 7134239 via cif-deposit CGI script.	7134238.cif