Crystallography Open Database

Information card for entry 7116774

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Coordinates	7116774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H96 N12 Na4 O94 U6
Calculated formula	C60 H96 N12 Na4 O94 U6
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	19.987 ± 0.0008 Å
b	20.5879 ± 0.0008 Å
c	21.1208 ± 0.0008 Å
α	68.467 ± 0.0013°
β	64.419 ± 0.0013°
γ	67.96 ± 0.0013°
Cell volume	7044.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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