Crystallography Open Database

Information card for entry 7131059

Preview

Coordinates	7131059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H3 Al3 F30
Calculated formula	C36 H3 Al3 F30
SMILES	[Al]1(c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)[H][Al](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)[H][Al](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)[H]1
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	10.9346 ± 0.001 Å
b	11.6435 ± 0.0011 Å
c	15.7246 ± 0.0014 Å
α	94.033 ± 0.005°
β	104.99 ± 0.005°
γ	99.074 ± 0.005°
Cell volume	1896.7 ± 0.3 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.2023
Weighted residual factors for all reflections included in the refinement	0.2196
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	7131059.cif
279667	2022-12-02	cif/ Adding structures of 7131059, 7131060, 7131061, 7131062, 7131063 via cif-deposit CGI script.	7131059.cif