Crystallography Open Database

Information card for entry 7131062

Preview

Coordinates	7131062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 Al F10 N4
Calculated formula	C26 H21 Al F10 N4
SMILES	[AlH]([n]1ccc(N(C)C)cc1)([n]1ccc(N(C)C)cc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Structure and reactivity studies of the aluminum analogue of Piers' borane [HAl(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub>.
Authors of publication	Tan, Jingjie; Hu, Chaopeng; Yang, Xin; Ju, Shaoying; Cao, Levy L.; Wu, Yile; Liu, Liu Leo; Stephan, Douglas W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	3
Pages of publication	282 - 285
a	11.6102 ± 0.0005 Å
b	25.9241 ± 0.001 Å
c	11.8202 ± 0.0005 Å
α	90°
β	113.369 ± 0.002°
γ	90°
Cell volume	3265.9 ± 0.2 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
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	0.1143
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.177
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283142 (current)	2023-05-05	cif/ Updating files of 7131059, 7131060, 7131061, 7131062, 7131063 Original log message: Adding full bibliography for 7131059--7131063.cif.	7131062.cif
279667	2022-12-02	cif/ Adding structures of 7131059, 7131060, 7131061, 7131062, 7131063 via cif-deposit CGI script.	7131062.cif