Crystallography Open Database

Information card for entry 4508994

Preview

Coordinates	4508994.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ni(XG4)(H2O)2(OSO3)]-EtOH-H2O
Formula	C20 H30 N6 Ni O8 S
Calculated formula	C20 H30 N6 Ni O8 S
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	8.691 ± 0.0018 Å
b	11.908 ± 0.003 Å
c	12.66 ± 0.003 Å
α	88.965 ± 0.014°
β	78.925 ± 0.013°
γ	70.326 ± 0.013°
Cell volume	1209.2 ± 0.5 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0339
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	4508994.cif
97066	2014-01-29	cif/ Adding structures of 4508988, 4508989, 4508990, 4508991, 4508992, 4508993, 4508994 via cif-deposit CGI script.	4508994.cif