Crystallography Open Database

Information card for entry 7112136

Preview

Coordinates	7112136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H74 N30 O25
Calculated formula	C56 H74 N30 O25
Title of publication	The first case of an actinide polyrotaxane incorporating cucurbituril: a unique 'dragon-like' twist induced by a specific coordination pattern of uranium
Authors of publication	Lei Mei; Qun-yan Wu; Cai-ming Liu; Yu-liang Zhao; Zhi-fang Chai; Wei-qun Shi
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3612
a	26.608 ± 0.004 Å
b	20.323 ± 0.003 Å
c	13.2407 ± 0.0018 Å
α	90°
β	114.223 ± 0.003°
γ	90°
Cell volume	6529.6 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.116
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.209
Weighted residual factors for all reflections included in the refinement	0.2466
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
180235 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21.	7112136.cif
105904	2014-03-14	cif/ Adding structures of 7112136, 7112137 via cif-deposit CGI script.	7112136.cif