Crystallography Open Database

Information card for entry 2242868

Preview

Coordinates	2242868.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(μ~2~-triphenylacetato-κ<i>O</i>:κ<i>O</i>')bis(diisobutylaluminium)
Formula	C56 H66 Al2 O4
Calculated formula	C56 H66 Al2 O4
SMILES	[Al]1([O]=C(O[Al]([O]=C(O1)C(c1ccccc1)(c1ccccc1)c1ccccc1)(CC(C)C)CC(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)(CC(C)C)CC(C)C
Title of publication	Crystal structure of bis(μ~2~-triphenylacetato-κ<i>O</i>:κ<i>O</i>')bis(diisobutylaluminium)
Authors of publication	Vinogradov, Alexander A.; Minyaev, Mikhail E.; Lyssenko, Konstantin A.; Nifant'ev, Ilya E.
Journal of publication	Acta Crystallographica Section E
Year of publication	2019
Journal volume	75
Journal issue	4
Pages of publication	456 - 459
a	9.2839 ± 0.0003 Å
b	12.0281 ± 0.0004 Å
c	12.5999 ± 0.0004 Å
α	108.79 ± 0.001°
β	109.143 ± 0.001°
γ	91.866 ± 0.001°
Cell volume	1243.25 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0487
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
214145 (current)	2019-03-16	cif/ Adding structures of 2242868 via cif-deposit CGI script.	2242868.cif