Crystallography Open Database

Information card for entry 7208180

7208179 << 7208180 >> 7208181

Preview

Coordinates	7208180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 Cu N3 S2
Calculated formula	C14 H13 Cu N3 S2
Title of publication	The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers
Authors of publication	Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	15
Pages of publication	4927
a	8.1247 ± 0.0007 Å
b	9.132 ± 0.0008 Å
c	10.6624 ± 0.001 Å
α	101.94 ± 0.008°
β	94.339 ± 0.008°
γ	107.73 ± 0.008°
Cell volume	729.01 ± 0.12 Å³
Cell temperature	290.65 K
Ambient diffraction temperature	290.65 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1022
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.188
Weighted residual factors for all reflections included in the refinement	0.2099
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180412 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/81.	7208180.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208180.cif
64213	2012-08-11	cif/ Adding structures of 7208174, 7208175, 7208176, 7208177, 7208178, 7208179, 7208180, 7208181, 7208182, 7208183 via cif-deposit CGI script.	7208180.cif