Crystallography Open Database

Information card for entry 7214874

Preview

Coordinates	7214874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H98 Cu3 Gd2 N12 O95 Si2 W22
Calculated formula	C18 H60 Cu3 Gd2 N12 O95 Si2 W22
Title of publication	Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units
Authors of publication	Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	23
Pages of publication	7981
a	11.383 ± 0.005 Å
b	12.571 ± 0.006 Å
c	21.312 ± 0.01 Å
α	85.704 ± 0.008°
β	75.841 ± 0.009°
γ	73.988 ± 0.009°
Cell volume	2842 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.115
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.1686
Weighted residual factors for all reflections included in the refinement	0.1795
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
180479 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/48.	7214874.cif
110985	2014-04-20	cif/ Adding structures of 7214869, 7214870, 7214871, 7214872, 7214873, 7214874, 7214875, 7214876, 7214877 via cif-deposit CGI script.	7214874.cif