Crystallography Open Database

Information card for entry 1561281

Preview

Coordinates	1561281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 Cd Cl N5 S3
Calculated formula	C13 H18 Cd Cl N5 S3
SMILES	[Cd](Cl)(N=C=S)([S]=C1N(C=CN1CCCCN1C(N(C=C1)C)=S)C)[S]=C1N(C=CN1CCCCN1C(N(C=C1)C)=[S][Cd](Cl)N=C=S)C
Title of publication	Selective high capacity adsorption of Congo red, luminescence and antibacterial assessment of two new cadmium(II) coordination polymers
Authors of publication	Beheshti, Azizolla; Nozarian, Kimia; Ghamari, Narges; Mayer, Peter; Motamedi, Hossein
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	258
Pages of publication	618 - 627
a	12.8031 ± 0.0004 Å
b	12.2629 ± 0.0004 Å
c	12.4809 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1959.54 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0564
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
263351 (current)	2021-03-26	cif/ Adding structures of 1561280, 1561281 via cif-deposit CGI script.	1561281.cif