Crystallography Open Database

Information card for entry 1566158

Preview

Coordinates	1566158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H52 Al B Br4 N4
Calculated formula	C31 H52 Al B Br4 N4
Title of publication	Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations
Authors of publication	Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	8
Pages of publication	2303 - 2309
a	11.781 ± 0.00019 Å
b	15.9628 ± 0.0003 Å
c	41.3531 ± 0.0007 Å
α	90°
β	93.4263 ± 0.0016°
γ	90°
Cell volume	7762.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
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
273348 (current)	2022-03-05	cif/ Updating files of 1566151, 1566152, 1566153, 1566154, 1566155, 1566156, 1566157, 1566158, 1566159, 1566160 Original log message: Adding full bibliography for 1566151--1566160.cif.	1566158.cif
272258	2022-01-27	cif/ Adding structures of 1566151, 1566152, 1566153, 1566154, 1566155, 1566156, 1566157, 1566158, 1566159, 1566160 via cif-deposit CGI script.	1566158.cif