Crystallography Open Database

Information card for entry 1560517

Preview

Coordinates	1560517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 Ag Cl N4 O4 S2
Calculated formula	C12 H18 Ag Cl N4 O4 S2
Title of publication	Structural variability in Cu(I) and Ag(I) coordination polymers with a flexible dithione ligand: Synthesis, crystal structure, microbiological and theoretical studies
Authors of publication	Beheshti, Azizolla; Nozarian, Kimia; Babadi, Susan Soleymani; Noorizadeh, Siamak; Motamedi, Hossein; Mayer, Peter; Bruno, Giuseppe; Rudbari, Hadi Amiri
Journal of publication	Journal of Solid State Chemistry
Year of publication	2017
Journal volume	249
Pages of publication	70 - 79
a	13.7494 ± 0.0013 Å
b	17.4476 ± 0.0015 Å
c	7.2151 ± 0.0006 Å
α	90°
β	97.615 ± 0.002°
γ	90°
Cell volume	1715.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.1027
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
262128 (current)	2021-02-22	cif/ Adding structures of 1560516, 1560517 via cif-deposit CGI script.	1560517.cif