Crystallography Open Database

Information card for entry 7132431

Preview

Coordinates	7132431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75.45 H48.2 Al B F31 N2
Calculated formula	C75.45 H48.2 Al B F31 N2
Title of publication	The Lewis superacidic aluminium cation: [(NHC)Al(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sup/>.
Authors of publication	Ju, Shaoying; Zhang, Chi; Tang, Beili; Liu, Liu Leo; Stephan, Douglas W.; Wu, Yile
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	6
Pages of publication	698 - 701
a	18.2366 ± 0.0007 Å
b	12.6216 ± 0.0004 Å
c	30.5952 ± 0.0012 Å
α	90°
β	94.208 ± 0.002°
γ	90°
Cell volume	7023.3 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1556
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289358 (current)	2024-02-04	cif/ Updating files of 7132428, 7132429, 7132430, 7132431, 7132432 Original log message: Adding full bibliography for 7132428--7132432.cif.	7132431.cif
288096	2023-12-07	cif/ Adding structures of 7132428, 7132429, 7132430, 7132431, 7132432 via cif-deposit CGI script.	7132431.cif