Crystallography Open Database

Information card for entry 1556582

Preview

Coordinates	1556582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H47 Al3 F3 N6 O9
Calculated formula	C65 H47 Al3 F3 N6 O9
SMILES	[Al]123(F)(Oc4c5cccc4C4c6cccc7C=[N]8[Al]9(F)(Oc67)(Oc6c(C(c7c(O1)c(C=[N]3c1c([N]2=C5)cccc1)ccc7)c1c2O[Al]35(F)(Oc7c4cccc7C=[N]3c3ccccc3[N]5=Cc2ccc1)OC)cccc6C=[N]9c1c8cccc1)OC)OC
Title of publication	A Cryptand-Type Aluminum Tris(salophen) Complex: Synthesis, Characterization, and Cell Imaging Application
Authors of publication	Yin, H.-Y.; Lai, J.; Tang, J.; Shang, Y.; Zhang, J.-L.
Journal of publication	Inorganics
Year of publication	2018
Journal volume	6
Pages of publication	20
a	13.06 ± 0.006 Å
b	19.92 ± 0.01 Å
c	21.49 ± 0.011 Å
α	65.028 ± 0.006°
β	87.853 ± 0.007°
γ	89.408 ± 0.007°
Cell volume	5064 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0991
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1635
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
245202 (current)	2019-12-16	cif/ Adding structures of 1556582 via cif-deposit CGI script.	1556582.cif