Crystallography Open Database

Information card for entry 7214047

Preview

Coordinates	7214047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H61 K2 Mo12 N20 O75 P
Calculated formula	C30 H30 K2 Mo12 N20 O67 P
Title of publication	Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides
Authors of publication	Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	9
Pages of publication	1615
a	16.543 ± 0.002 Å
b	14.4575 ± 0.0018 Å
c	33.922 ± 0.004 Å
α	90°
β	99.052 ± 0.004°
γ	90°
Cell volume	8012.1 ± 1.7 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1967
Weighted residual factors for all reflections included in the refinement	0.219
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
180471 (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 7/21/40.	7214047.cif
105226	2014-03-12	cif/ Adding structures of 7214034, 7214035, 7214036, 7214037, 7214038, 7214039, 7214040, 7214041, 7214042, 7214043, 7214044, 7214045, 7214046, 7214047 via cif-deposit CGI script.	7214047.cif