Crystallography Open Database

Information card for entry 2242310

Preview

Structure parameters

Chemical name	Bis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc(II)
Formula	C14 H12 N6 S4 Zn
Calculated formula	C14 H12 N6 S4 Zn
SMILES	[Zn](N=C=S)([n]1ccc(cc1)C(=S)N)(N=C=S)[n]1ccc(cc1)C(=S)N
Title of publication	Crystal structures of tetrakis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) monohydrate and bis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc(II)
Authors of publication	Neumann, Tristan; Jess, Inke; Näther, Christian
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	2
Pages of publication	141 - 146
a	18.965 ± 0.003 Å
b	41.216 ± 0.007 Å
c	5.1117 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3995.6 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
205163 (current)	2018-01-13	cif/ hkl/ Adding structures of 2242309, 2242310 via cif-deposit CGI script.	2242310.cif 2242310.hkl