Crystallography Open Database

Information card for entry 7039970

Preview

Coordinates	7039970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H60 N26 O22 S U
Calculated formula	C56 H60 N26 O22 S U
Title of publication	First three-dimensional actinide polyrotaxane framework mediated by windmill-like six-connected oligomeric uranyl: dual roles of the pseudorotaxane precursor.
Authors of publication	Mei, Lei; Xie, Zhen-Ni; Hu, Kong-Qiu; Wang, Lin; Yuan, Li-Yong; Li, Zi-Jie; Chai, Zhi-Fang; Shi, Wei-Qun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	34
Pages of publication	13304 - 13307
a	16.5786 ± 0.0003 Å
b	16.9736 ± 0.0005 Å
c	25.6419 ± 0.0006 Å
α	90°
β	101.461 ± 0.002°
γ	90°
Cell volume	7071.7 ± 0.3 Å³
Cell temperature	296.44 ± 0.1 K
Ambient diffraction temperature	296.44 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.1549
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
186403 (current)	2016-09-10	cif/ Updating files of 7039969, 7039970 Original log message: Adding full bibliography for 7039969--7039970.cif.	7039970.cif
184573	2016-07-21	cif/ Adding structures of 7039969, 7039970 via cif-deposit CGI script.	7039970.cif