Crystallography Open Database

Information card for entry 7219078

7219077 << 7219078 >> 7219079

Preview

Coordinates	7219078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cl Cu N2 S2
Calculated formula	C18 H18 Cl Cu N2 S2
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	6.4888 ± 0.0009 Å
b	12.0393 ± 0.0016 Å
c	12.8648 ± 0.0017 Å
α	111.713 ± 0.002°
β	95.419 ± 0.003°
γ	100.495 ± 0.003°
Cell volume	903.6 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0767
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.0715
Goodness-of-fit parameter for all reflections included in the refinement	0.751
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.	7219078.cif
128773	2014-12-16	cif/ Adding structures of 7219077, 7219078, 7219079 via cif-deposit CGI script.	7219078.cif