Crystallography Open Database

Information card for entry 7213553

Preview

Coordinates	7213553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H240 Cd2 Cl14 N66 Nd4 O110
Calculated formula	C96 H96 Cd2 Cl14 N66 Nd4 O62
Title of publication	[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides
Authors of publication	Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	2
Pages of publication	144
a	17.1436 ± 0.0006 Å
b	18.0998 ± 0.0006 Å
c	18.3169 ± 0.0006 Å
α	84.896 ± 0.001°
β	65.733 ± 0.001°
γ	71.546 ± 0.001°
Cell volume	4909.4 ± 0.3 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	0.0777
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.1934
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180466 (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 7/21/35.	7213553.cif
105125	2014-03-11	cif/ Adding structures of 7213552, 7213553, 7213554, 7213555, 7213556, 7213557, 7213558, 7213559, 7213560, 7213561, 7213562 via cif-deposit CGI script.	7213553.cif