Crystallography Open Database

Information card for entry 7131063

Preview

Coordinates	7131063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H18 Al2 F20 O2
Calculated formula	C32 H18 Al2 F20 O2
SMILES	[Al]1([O](C(C)(C)C)[Al]([O]1C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(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	12.0639 ± 0.0004 Å
b	18.5498 ± 0.0006 Å
c	24.2232 ± 0.0008 Å
α	84.238 ± 0.002°
β	76.575 ± 0.002°
γ	72.095 ± 0.002°
Cell volume	5014.8 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1074
Residual factor for significantly intense reflections	0.0947
Weighted residual factors for significantly intense reflections	0.2713
Weighted residual factors for all reflections included in the refinement	0.2822
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7131063.cif
279667	2022-12-02	cif/ Adding structures of 7131059, 7131060, 7131061, 7131062, 7131063 via cif-deposit CGI script.	7131063.cif