Crystallography Open Database

Information card for entry 8107686

Preview

Coordinates	8107686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 N6 S2 Zn
Calculated formula	C44 H36 N6 S2 Zn
SMILES	[Zn]12(SC(=N[N]1=C(c1ccccc1)/C=C/c1ccccc1)Nc1ccccc1)SC(=N[N]2=C(/C=C/c1ccccc1)c1ccccc1)Nc1ccccc1
Title of publication	Crystal structure of bis{N′-[1,3-diphenylprop-2-en-1-ylidene]-N-phenylcarbamohydrazonothioato}zinc(II), C44H36N6S2Zn
Authors of publication	Tan, Ming Yueh; Crouse, Karen A.; Tan, Sang Loon; Tiekink, Edward R. T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	6
Pages of publication	1145 - 1148
a	14.5676 ± 0.0004 Å
b	26.1767 ± 0.0008 Å
c	10.0963 ± 0.0003 Å
α	90°
β	99.14 ± 0.003°
γ	90°
Cell volume	3801.2 ± 0.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
287806 (current)	2023-11-27	cif/ Adding structures of 8107686 via cif-deposit CGI script.	8107686.cif