Crystallography Open Database

Information card for entry 1564586

Preview

Coordinates	1564586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 N6 O12 Zn3
Calculated formula	C44 H50 N6 O12 Zn3
SMILES	c1cccc(c1/C=N/CCN1CC[N]2=Cc3ccccc3[O]3[Zn]456([O]=C(C)O[Zn]123[O]4C(=O)C)[O]1c2c(C=[N]3CCN(CC/N=C/c4ccccc4O)[Zn]13([O]5C(=O)C)[O]=C(O6)C)cccc2)O
Title of publication	Synthesis, crystal structures, catalytic application and antibacterial activities of Cu(II) and Zn(II) complexes bearing salicylaldehyde-imine ligands
Authors of publication	Liu, Chao; Chen, Ming-Xing; Li, Ming
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	508
Pages of publication	119639
a	24.454 ± 0.006 Å
b	24.454 ± 0.006 Å
c	16.024 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	9582 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
269024 (current)	2021-09-07	cif/ Adding structures of 1564585, 1564586, 1564587 via cif-deposit CGI script.	1564586.cif