Crystallography Open Database

Information card for entry 7210804

Preview

Coordinates	7210804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H92 Cd Cl5 N24 O40 Y
Calculated formula	C36 H36 Cd Cl5 N24 O16 Y
Title of publication	Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides
Authors of publication	Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	39
Pages of publication	7987
a	15.1118 ± 0.0008 Å
b	15.5851 ± 0.0008 Å
c	17.0616 ± 0.0012 Å
α	64.897 ± 0.002°
β	80.888 ± 0.002°
γ	81.757 ± 0.001°
Cell volume	3579.8 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1393
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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
180439 (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 7/21/08.	7210804.cif
90128	2013-11-17	cif/ Adding structures of 7210803, 7210804, 7210805, 7210806, 7210807, 7210808, 7210809, 7210810, 7210811, 7210812, 7210813, 7210814, 7210815, 7210816, 7210817, 7210818, 7210819, 7210820, 7210821, 7210822, 7210823, 7210824, 7210825 via cif-deposit CGI script.	7210804.cif