Crystallography Open Database

Information card for entry 2311387

Preview

Coordinates	2311387.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(<i>N</i>'-{(<i>E</i>)-[(2<i>E</i>)-1,3-diphenylprop-2-en-1-ylidene]amino}-<i>N</i>-ethylcarbamimidothioato-κ^2^<i>N</i>',<i>S</i>)zinc(II)
Formula	C36 H36 N6 S2 Zn
Calculated formula	C36 H36 N6 S2 Zn
SMILES	[Zn]12(SC(=N/[N]1=C(\C=C\c1ccccc1)/c1ccccc1)NCC)SC(NCC)=N/[N]2=C(\C=C\c1ccccc1)c1ccccc1
Title of publication	Bis(<i>N</i>'-{(<i>E</i>)-[(2<i>E</i>)-1,3-di-phenyl-prop-2-en-1-yl-idene]amino}-<i>N</i>-ethyl-carbamimido-thio-ato-κ<sup>2</sup><i>N</i>',<i>S</i>)zinc(II): crystal structure and Hirshfeld surface analysis.
Authors of publication	Tan, Ming Yueh; Crouse, Karen A.; Ravoof, Thahira B. S. A.; Jotani, Mukesh M.; Tiekink, Edward R. T.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 7
Pages of publication	1001 - 1008
a	38.3604 ± 0.0009 Å
b	13.6382 ± 0.0003 Å
c	26.3548 ± 0.0006 Å
α	90°
β	91.069 ± 0.002°
γ	90°
Cell volume	13785.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
245843 (current)	2019-12-25	cif/ Adding structures of 2311387 via cif-deposit CGI script.	2311387.cif