Crystallography Open Database

Information card for entry 4500405

Preview

Coordinates	4500405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 Ag I3 N4 S4
Calculated formula	C12 H20 Ag I3 N4 S4
SMILES	[I-](I)I.[Ag]12([S]=C3N(CCN(C3=[S]2)C)C)[S]=C2C(=[S]1)N(C)CCN2C
Title of publication	Argentophilic Interactions in Mono-, Di-, and Polymeric Ag(I) Complexes withN,N′-Dimethyl-piperazine-2,3-dithione and Iodide
Authors of publication	Serpe, Angela; Artizzu, Flavia; Marchiò, Luciano; Mercuri, Maria Laura; Pilia, Luca; Deplano, Paola
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1278
a	8.214 ± 0.001 Å
b	8.763 ± 0.001 Å
c	18.791 ± 0.003 Å
α	80.311 ± 0.001°
β	81.94 ± 0.002°
γ	65.782 ± 0.001°
Cell volume	1212.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1231
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
179535 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/04.	4500405.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500405.cif
34481	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500405, 4500406, 4500407, 4500408, 4500409 via cif-deposit CGI script.	4500405.cif