Crystallography Open Database

Information card for entry 7208176

7208175 << 7208176 >> 7208177

Preview

Coordinates	7208176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 Cu I3 N2
Calculated formula	C22 H22 Cu I3 N2
SMILES	c1cccc2c1cc[n+](c2)CCCC[n+]1ccc2c(c1)cccc2.[Cu](I)([I-])[I-]
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	9.8393 ± 0.0004 Å
b	14.0296 ± 0.0004 Å
c	17.5897 ± 0.0006 Å
α	90°
β	100.459 ± 0.003°
γ	90°
Cell volume	2387.76 ± 0.15 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	7208176.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208176.cif
64213	2012-08-11	cif/ Adding structures of 7208174, 7208175, 7208176, 7208177, 7208178, 7208179, 7208180, 7208181, 7208182, 7208183 via cif-deposit CGI script.	7208176.cif