Crystallography Open Database

Information card for entry 7046031

Preview

Coordinates	7046031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H62 Al K N2 O2
Calculated formula	C52 H62 Al K N2 O2
Title of publication	Schiff-base -ate derivatives with main group metals: generation of a tripodal aluminate metalloligand.
Authors of publication	García-Valle, Francisco M; Tabernero, Vanessa; Cuenca, Tomás; Cano, Jesús; Mosquera, Marta E. G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	18
Pages of publication	6499 - 6506
a	20.053 ± 0.003 Å
b	11.5534 ± 0.0014 Å
c	20.4001 ± 0.0016 Å
α	90°
β	90.391 ± 0.01°
γ	90°
Cell volume	4726.2 ± 1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0971
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
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
229871 (current)	2019-11-17	cif/ Updating files of 7046030, 7046031, 7046032 Original log message: Adding full bibliography for 7046030--7046032.cif.	7046031.cif
207325	2018-04-13	cif/ Adding structures of 7046030, 7046031, 7046032 via cif-deposit CGI script.	7046031.cif