Crystallography Open Database

Information card for entry 1518524

Preview

Coordinates	1518524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Cl2 N4 S4 Sn
Calculated formula	C24 H26 Cl2 N4 S4 Sn
SMILES	[Sn](Sc1ccc(N)cc1)(Sc1ccc([NH3+])cc1)(Sc1ccc([NH3+])cc1)Sc1ccc(N)cc1.[Cl-].[Cl-]
Title of publication	Coordination Nature of 4-Mercaptoaniline to Sn(II) Ion: Formation of a One Dimensional Coordination Polymer and Its Decomposition to a Mono Nuclear Sn(IV) Complex
Authors of publication	Burkett, Eon; Siddiquee, Tasneem
Journal of publication	Inorganics
Year of publication	2014
Journal volume	2
Journal issue	4
Pages of publication	652
a	31.03 ± 0.02 Å
b	7.961 ± 0.006 Å
c	11.718 ± 0.009 Å
α	90°
β	97.377 ± 0.009°
γ	90°
Cell volume	2871 ± 4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
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	0.0373
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518524.cif
129337	2015-01-03	cif/ Adding structures of 1518524 via cif-deposit CGI script.	1518524.cif