Crystallography Open Database

Information card for entry 7116771

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Coordinates	7116771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H30 N2 O23 U2
Calculated formula	C14 H30 N2 O23 U2
Title of publication	Chemical controls on uranyl citrate speciation and the self-assembly of nanoscale macrocycles and sandwich complexes in aqueous solutions
Authors of publication	M. Basile; D. K. Unruh; K. Gojdas; E. Flores; L. Streicher; T. Z. Forbes
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	5306
a	6.2109 ± 0.0008 Å
b	9.997 ± 0.0013 Å
c	11.3778 ± 0.0015 Å
α	97.9088 ± 0.0037°
β	93.7875 ± 0.0037°
γ	104.294 ± 0.0036°
Cell volume	674.38 ± 0.15 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 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	0.023
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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