Crystallography Open Database

Information card for entry 7128922

Preview

Coordinates	7128922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H49 Al3 Cl2 N4
Calculated formula	C37 H49 Al3 Cl2 N4
Title of publication	Trapping an unusual pentacoordinate carbon atom in a neutral trialuminum complex.
Authors of publication	Villegas-Escobar, Nery; Martínez, Javier; Matute, Ricardo A.; Saltarini, Sebastián; Daniliuc, Constantin G.; Gade, Lutz H.; Rojas, René S
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	80
Pages of publication	10327 - 10330
a	9.7351 ± 0.0002 Å
b	34.9337 ± 0.0007 Å
c	11.2629 ± 0.0002 Å
α	90°
β	95.467 ± 0.001°
γ	90°
Cell volume	3812.9 ± 0.13 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
270369 (current)	2021-11-06	cif/ Updating files of 7128922 Original log message: Adding full bibliography for 7128922.cif.	7128922.cif
268353	2021-09-02	cif/ Adding structures of 7128922 via cif-deposit CGI script.	7128922.cif