Crystallography Open Database

Information card for entry 7219077

7219076 << 7219077 >> 7219078

Preview

Coordinates	7219077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 N2 S2
Calculated formula	C18 H18 N2 S2
SMILES	C(=S)(C1=[N+](CCN1Cc1ccccc1)Cc1ccccc1)[S-]
Title of publication	Synthesis of New Copper(I) Based Linear 1-D-Coordination Polymers with Neutral Imidazolinium-Dithiocarboxylate Ligands
Authors of publication	Neuba, Adam; Ortmeyer, Jochen; Konieczna, Dagny Dagmara; Weigel, Gerwin; Flörke, Ulrich; Henkel, Gerald; Wilhelm, Rene
Journal of publication	RSC Adv.
Year of publication	2014
a	18.999 ± 0.002 Å
b	7.6609 ± 0.0009 Å
c	12.3984 ± 0.0015 Å
α	90°
β	113.417 ± 0.002°
γ	90°
Cell volume	1655.9 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
180521 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90.	7219077.cif
128773	2014-12-16	cif/ Adding structures of 7219077, 7219078, 7219079 via cif-deposit CGI script.	7219077.cif