Crystallography Open Database

Information card for entry 7243227

Preview

Coordinates	7243227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 N4 O8 Zn2
Calculated formula	C44 H52 N4 O8 Zn2
SMILES	[Zn]123([N]4=Cc5cc(cc6C=[N]7[Zn]8([O]2c2c(C=[N]1c1c4cccc1)cc(cc2C=[N]8c1ccccc71)C(C)(C)C)([O]3c56)OC(=O)C)C(C)(C)C)OC(=O)C.OCC.OCC
Title of publication	New dinuclear zinc(ii) complexes with Schiff bases obtained from o-phenylenediamine and their application as fluorescent materials in spin coating deposition
Authors of publication	Barwiolek, Magdalena; Jankowska, Dominika; Chorobinski, Mateusz; Kaczmarek-Kędziera, Anna; Łakomska, Iwona; Wojtulewski, Slawomir; Muzioł, Tadeusz M.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	40
Pages of publication	24515 - 24525
a	8.4459 ± 0.0001 Å
b	23.8241 ± 0.0003 Å
c	20.1246 ± 0.0003 Å
α	90°
β	91.423 ± 0.001°
γ	90°
Cell volume	4048.14 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267581 (current)	2021-07-16	cif/ Adding structures of 7243227, 7243228 via cif-deposit CGI script.	7243227.cif