Crystallography Open Database

Information card for entry 1566160

Preview

Coordinates	1566160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H77 Al B Br4 N5
Calculated formula	C54 H77 Al B Br4 N5
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	14.3058 ± 0.0005 Å
b	14.4769 ± 0.0005 Å
c	14.7822 ± 0.0005 Å
α	82.612 ± 0.003°
β	72.27 ± 0.003°
γ	89.201 ± 0.003°
Cell volume	2890.8 ± 0.18 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 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	0.0691
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	1566160.cif
272258	2022-01-27	cif/ Adding structures of 1566151, 1566152, 1566153, 1566154, 1566155, 1566156, 1566157, 1566158, 1566159, 1566160 via cif-deposit CGI script.	1566160.cif