Crystallography Open Database

Information card for entry 4508989

Preview

Coordinates	4508989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 Cu2 N12 O12 S2
Calculated formula	C40 H36 Cu2 N12 O12 S2
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	8.7 ± 0.002 Å
b	9.759 ± 0.003 Å
c	13.242 ± 0.003 Å
α	81.828 ± 0.004°
β	78.65 ± 0.004°
γ	89.736 ± 0.004°
Cell volume	1090.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0517
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
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.	4508989.cif
97066	2014-01-29	cif/ Adding structures of 4508988, 4508989, 4508990, 4508991, 4508992, 4508993, 4508994 via cif-deposit CGI script.	4508989.cif