Crystallography Open Database

Information card for entry 7708048

Preview

Coordinates	7708048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H86 Al2 Br Li3 N6 O4
Calculated formula	C77.5 H82 Al2 Br Li3 N6 O4
Title of publication	Synthesis and Coordination Behaviour of Aluminate-based Quinolyl Ligands
Authors of publication	Waters, Jessica E.; Hanf, Schirin; Rincón-Nocito, Marina; Bond, Andrew David; García-Rodríguez, Raúl; Wright, Dominic S.; Colebatch, Annie Louise
Journal of publication	Dalton Transactions
Year of publication	2021
a	21.0518 ± 0.0006 Å
b	21.3454 ± 0.0006 Å
c	16.3309 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7338.4 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1855
Weighted residual factors for all reflections included in the refinement	0.2003
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7708048.html