Crystallography Open Database

Information card for entry 1572949

Preview

Coordinates	1572949.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(triethylammonium) {2,2'-[1,4-phenylenebis(nitrilomethylidyne)]diphenolato}bis[dichloridozinc(II)]
Formula	C32 H46 Cl4 N4 O2 Zn2
Calculated formula	C32 H46 Cl4 N4 O2 Zn2
SMILES	c12ccccc1C=[N](c1ccc(cc1)[N]1=Cc3c(cccc3)O[Zn]1(Cl)Cl)[Zn](O2)(Cl)Cl.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC
Title of publication	Crystal structures and photophysical properties of mono- and dinuclear ZnII complexes flanked by triethylammonium
Authors of publication	Le Thi Hong, Hai; Nguyen, Hien; Trinh Hong, Duong; Nguyen Hoang, Ninh; Nguyen Nhat, Khanh; Van Meervelt, Luc
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	11
Pages of publication	1210 - 1216
a	11.9843 ± 0.0009 Å
b	13.457 ± 0.0007 Å
c	11.9944 ± 0.0011 Å
α	90°
β	103.838 ± 0.009°
γ	90°
Cell volume	1878.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0743
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
296775 (current)	2024-12-07	cif/ Updating files of 1572948, 1572949 Original log message: Adding full bibliography for 1572948--1572949.cif.	1572949.cif
295621	2024-10-25	cif/ Adding structures of 1572948, 1572949 via cif-deposit CGI script.	1572949.cif