Crystallography Open Database

Information card for entry 7039969

Preview

Coordinates	7039969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H121 N52 O38 U2
Calculated formula	C112 H121 N52 O38 U2
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	17.5238 ± 0.0006 Å
b	21.4858 ± 0.0005 Å
c	22.2555 ± 0.0007 Å
α	106.51 ± 0.002°
β	105.257 ± 0.003°
γ	105.879 ± 0.002°
Cell volume	7180 ± 0.4 Å³
Cell temperature	296.44 ± 0.1 K
Ambient diffraction temperature	296.44 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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.	7039969.cif
184573	2016-07-21	cif/ Adding structures of 7039969, 7039970 via cif-deposit CGI script.	7039969.cif