Crystallography Open Database

Information card for entry 4508990

Preview

Coordinates	4508990.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[CuCl2(XG4)]
Formula	C18 H18 Cl2 Cu N6
Calculated formula	C18 H18 Cl2 Cu N6
Title of publication	Coordination Polymers with Varied Metal Centers and Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)benzene: Synthesis, Structure, and Reversible Anion Exchange Property
Authors of publication	Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Bai, Zheng-Shuai; Hua, Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	1
Pages of publication	395
a	8.808 ± 0.002 Å
b	9.541 ± 0.003 Å
c	23.753 ± 0.008 Å
α	90°
β	101.34 ± 0.013°
γ	90°
Cell volume	1957.2 ± 1 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0316
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179625 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/89.	4508990.cif
97066	2014-01-29	cif/ Adding structures of 4508988, 4508989, 4508990, 4508991, 4508992, 4508993, 4508994 via cif-deposit CGI script.	4508990.cif