Crystallography Open Database

Information card for entry 2020945

2020944 << 2020945 >> 2020946

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Structure parameters

Chemical name	<i>catena</i>-Poly[[[aquatetrakis(μ~3~-1,1-dioxo-1,2-benzisothiazole-3-thiolato-κ^3^<i>N</i>:<i>S</i>^3^:<i>S</i>^3^)tetrasilver(I)]-μ~2~-4,4'-(propane-1,3-dyl)dipyridine-κ^2^<i>N</i>:<i>N</i>'] dimethyl sulfoxide hemisolvate]
Formula	C42 H35 Ag4 N6 O9.5 S8.5
Calculated formula	C42 H35 Ag4 N6 O9.5 S8.5
Title of publication	Structure and electrical properties of a one-dimensional polymeric silver thiosaccharinate complex with argentophilic interactions
Authors of publication	Dennehy, Mariana; Amo-Ochoa, Pilar; Freire, Eleonora; Suárez, Sebastián; Halac, Emilia; Baggio, Ricardo
Journal of publication	Acta Crystallographica Section C
Year of publication	2018
Journal volume	74
Journal issue	2
a	13.771 ± 0.0004 Å
b	13.9822 ± 0.0004 Å
c	14.7181 ± 0.0005 Å
α	81.074 ± 0.003°
β	79.523 ± 0.003°
γ	73.152 ± 0.003°
Cell volume	2651.24 ± 0.15 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 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	0.1021
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.158
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
205400 (current)	2018-01-19	cif/ hkl/ Adding structures of 2020945 via cif-deposit CGI script.	2020945.cif 2020945.hkl