Crystallography Open Database

Information card for entry 7702939

Preview

Coordinates	7702939.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound 2
Formula	C34 H48 N2 O17 U2
Calculated formula	C34 H45 N2 O17 U2
Title of publication	A unique uranyl framework containing uranyl pentamers as secondary building units: synthesis, structure, and spectroscopic properties.
Authors of publication	Zhang, Yugang; Chen, Lanhua; Guan, Jingwen; Wang, Xia; Wang, Shuao; Diwu, Juan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	12
Pages of publication	3676 - 3679
a	9.8823 ± 0.0013 Å
b	15.971 ± 0.002 Å
c	27.569 ± 0.003 Å
α	90°
β	91.413 ± 0.004°
γ	90°
Cell volume	4349.9 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0424
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.236
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
250312 (current)	2020-04-05	cif/ Updating files of 7702938, 7702939 Original log message: Adding full bibliography for 7702938--7702939.cif.	7702939.cif
244874	2019-12-03	cif/ Adding structures of 7702938, 7702939 via cif-deposit CGI script.	7702939.cif