Crystallography Open Database

Information card for entry 1557862

Preview

Coordinates	1557862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H35 Al N6
Calculated formula	C20 H35 Al N6
SMILES	[Al]1(C)(C)[n]2c(cc(C)n2C(=C(N1C(C)C)NC(C)C)n1c(cc(C)n1)C)C
Title of publication	Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates
Authors of publication	Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M.
Journal of publication	Catalysis Science & Technology
Year of publication	2020
Journal volume	10
Journal issue	10
Pages of publication	3265 - 3278
a	18.8949 ± 0.0006 Å
b	10.1078 ± 0.0004 Å
c	23.9918 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4582.1 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1064
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
257207 (current)	2020-10-06	cif/ Updating files of 1557862, 1557863 Original log message: Adding full bibliography for 1557862--1557863.cif.	1557862.cif
252671	2020-06-05	cif/ Updating files of 1557862, 1557863 Original log message: Adding full bibliography for 1557862--1557863.cif.	1557862.cif
251058	2020-04-23	cif/ Adding structures of 1557862, 1557863 via cif-deposit CGI script.	1557862.cif