Crystallography Open Database

Information card for entry 1560516

Preview

Coordinates	1560516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 Cu N5 S3
Calculated formula	C13 H18 Cu N5 S3
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	7.809 ± 0.0003 Å
b	12.353 ± 0.0005 Å
c	18.497 ± 0.0008 Å
α	90°
β	95.18 ± 0.002°
γ	90°
Cell volume	1777.02 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	1560516.cif