Crystallography Open Database

Information card for entry 7132432

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Coordinates	7132432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123 H96 Al2 B F40 N7
Calculated formula	C123 H96 Al2 B F40 N7
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	58.9625 ± 0.0013 Å
b	12.3783 ± 0.0003 Å
c	42.5423 ± 0.0017 Å
α	90°
β	132.777 ± 0.001°
γ	90°
Cell volume	22790.6 ± 1.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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