Crystallography Open Database

Information card for entry 1557863

Preview

Coordinates	1557863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.5 H44 Al2 N6
Calculated formula	C33.5 H44 Al2 N6
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	18.637 ± 0.003 Å
b	9.384 ± 0.0019 Å
c	26.354 ± 0.004 Å
α	90°
β	125.325 ± 0.0012°
γ	90°
Cell volume	3760.4 ± 1.1 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2079
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2149
Weighted residual factors for all reflections included in the refinement	0.2845
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1557863.cif
252671	2020-06-05	cif/ Updating files of 1557862, 1557863 Original log message: Adding full bibliography for 1557862--1557863.cif.	1557863.cif
251058	2020-04-23	cif/ Adding structures of 1557862, 1557863 via cif-deposit CGI script.	1557863.cif